ZA loops of bromodomains

FIELD OF THE INVENTION

The present invention provides the three-dimensional structure of a histone acetyltransferase bromodomain. The three-dimensional structural information is included in the invention. The present invention also identifies for the first time, that bromodomains can bind to binding partners that comprise an acetylated lysine. The interaction between bromodomains and their binding partners play a crucial role in various cellular functions, including in the regulation/modulation of DNA transcription. Therefore, the present invention provides procedures for identifying agents that can modulate the interaction of bromodomains and their binding partners by high throughput drug screening and/or through the use of rational drug design based on the three-dimensional data provided herein.

BACKGROUND OF THE INVENTION

In recent years great strides have been made in the elucidation of the steps involved in intercellular and intracellular signaling. Indeed, the individual steps of the cascade of events involved in a number of cellular signal transduction processes have been determined. For example, intercellular signal transduction generally begins with an intercellular ligand binding the extracellular portion of a receptor of the plasma membrane. The bound receptor then either directly or indirectly initiates the activation of one or more cellular factors. An activated cellular factor may act as transcription factor by entering the nucleus to interact with its corresponding genomic response element, or alternatively, it may interact with other cellular factors depending on the complexity of the process. In either case, one or more transcription factors ultimately bind to one or more specific genomic response elements. This binding plays a crucial role in the up and/or down regulation of the transcription of the specific genes that are under the control of these genomic response elements. However, the process of re-organizing the chromatin of eukaryotic cells, which is a prerequisite for the binding of the transcription factor to the genomic response elements, has remained a mystery.

Chromatin contains several highly conserved histone proteins including: H3, H4, H2A, H2B, and H1. These histone proteins package eukaryotic DNA into repeating nucleosomal units that are folded into higher-order chromatin fibers [Luger and Richmond, Curr. Opin. Genet. Dev. 8:140-146 (1998)]. A portion of the histone that comprises roughly a quarter of the protein protrudes from the chromatin surface, and is thereby sensitive to proteolytic enzymes [van Holde, in Chromatin (Rich, A,. ed., Springer, New York) pages 111-148 (1988); Hect et al., Cell 80:583-592 (1995)]. This portion of the histone is known as the “histone tail”. Histone tails tend to be free for protein-protein interaction, and are also the portion of the histone most prone to post-translational modification. Such post-translational modification includes acetylation, phosphorylation, methylation, ubiquitination, and ADP-ribosylation [van Holde, in Chromatin (Rich, A,. ed., Springer, New York) pages 111-148 (1988)].

Of all classes of proteins, histones are amongst the most susceptible to post-translational modification. Perhaps the best studied post-translational modification of histones is the acetylation of specific lysine residues [Grunstin, M., Nature, 389:349-352 (1997)]. Indeed, acetylation of histone lysine residues has been suggested to play a pivotal role in chromatin remodeling and gene activation. Consistently, distinct classes of enzymes, namely histone acetyltransferases (HATs) and histone deacetylases (HDACs), acetylate or de-acetylate specific histone lysine residues [Struhl, Genes Dev. 12:599-606 (1998)].

Nearly all known nuclear HATs contain an approximately 110 amino acid sequence known as the bromodomain [Jeanmougin et al., Trends in Biochemical Sciences, 22:151-153 (1997)], a protein motif that was initially discovered in Drosophila brahma protein. Bromodomains are found in a large number of chromatin-associated proteins and have now been identified in approximately 70 human proteins, often adjacent to other protein motifs [Jeanmougin et al., Trends in Biochemical Sciences, 22:151-153 (1997); Tamkun et al., Cell, 68:561-572 (1992): Hanes et al., Nucleic Acids Research, 20:2603 (1992)]. Proteins that contain a bromodomain often contain a second bromodomain. However, despite the wide occurrence of bromodomains and their likely role in chromatin regulation, their three-dimensional structure and binding partners heretofore have remained unknown.

Therefore, there is a need to identify a binding partner for a bromodomain. In addition, there is a need to identify agonists or antagonists to the bromodomain-binding partner complex. Since a preferred method of drug-screening relies on structure based drug design, there is also a need to determine the three-dimensional structure of a bromodomain. In this case, once the three dimensional structure of bromodomain is determined, potential agonists and/or potential antagonists can be designed with the aid of computer modeling [Bugg et al., Scientific American, December:92-98 (1993); West et al., TIPS, 16:67-74 (1995); Dunbrack et al., Folding & Design, 2:27-42 (1997)]. However, heretofore the three-dimensional structure of the bromodomain has remained unknown. Therefore, there is a need for obtaining a form of the bromodomain that is amenable for NMR analysis and/or X-ray crystallographic analysis. Furthermore, there is a need for the determination of the three-dimensional structure of the bromodomain. Finally, there is a need for procedures for related structural based drug design predicated on such structural data.

The citation of any reference herein should not be construed as an admission that such reference is available as “Prior Art” to the instant application.

SUMMARY OF THE INVENTION

The present invention provides, for the first time, that bromodomains bind to acetyl-lysine residues of proteins. The present invention also provides the three-dimensional structure of a bromodomain as well as the three-dimensional structure of a bromodomain-acetyl-histamine complex. The structural information provided can be employed in methods of identifying drugs that can modulate the cellular processes that involve bromodomain-acetyl-lysine interactions. These interactions include chromatin remodeling, which is a required step in eukaryotic transcription. In a particular embodiment, the three-dimensional structural information is used in the identification and/design of an inhibitor of leukemia. In another embodiment, the three-dimensional structural information is used in the identification and/design of an inhibitor of HIV-1 infection and/or AIDS.

The present invention provides an isolated nucleic acid that encodes a peptide consisting of about 21 to 40 amino acids that comprises a ZA loop of a bromodomain. In a preferred embodiment the peptide comprises about 23 to 34 amino acids. The isolated nucleic acid can further comprise a heterologous nucleotide sequence.

In a preferred embodiment the peptide comprises the amino acid sequence of SEQ ID NO:3. In another embodiment the peptide comprises the amino acid sequence of SEQ ID NO:43. In particular embodiments the ZA loop is obtained from the bromodomain having the amino acid sequence of SEQ ID NO:7, or SEQ ID NO:8, or SEQ ID NO:9, or SEQ ID NO:10, or SEQ ID NO:11, or SEQ ID NO: 12, or SEQ ID NO: 13, or SEQ ID NO: 14, or SEQ ID NO:15, or SEQ ID NO:16, or SEQ ID NO:17, or SEQ ID NO:18, or SEQ ID NO:19, or SEQ ID NO:20, or SEQ ID NO:21, or SEQ ID NO: 22, or SEQ ID NO:23, or SEQ ID NO:24, or SEQ ID NO:25, or SEQ ID NO:26, or SEQ ID NO:27, or SEQ ID NO:28, or SEQ ID NO:29, or SEQ ID NO:30, or SEQ ID NO: or SEQ ID NO:31, or SEQ ID NO:32, or SEQ ID NO: 33, or SEQ ID NO:34, or SEQ ID NO:35, or SEQ ID NO:36, or SEQ ID NO:37, or SEQ ID NO:38, or SEQ ID NO: or SEQ ID) NO:39, or SEQ ID NO:40, or SEQ ID NO:41, or SEQ ID NO:42.

The present invention further provides a recombinant DNA molecule that comprises an isolated nucleic acid of the present invention, as described above, with or without a heterologous nucleotide sequence. Such a recombinant DNA molecule can be operatively linked to an expression control sequence and can be part of an expression vector. The present invention further provides a cell that comprises such an expression vector. The cell can be either a eukaryotic or a prokaryotic cell. The present invention further provides a method of expressing the peptides of the present invention or fragments thereof in this cell. One such method comprises culturing the cell in an appropriate cell culture medium under conditions that provide for expression of the peptide by the cell.

The present invention further provides a peptide consisting of about 21 to 40 amino acids that comprises a ZA loop of a bromodomain. In a preferred embodiment the peptide comprises about 23 to 34 amino acids. The present invention also provides fusion proteins or peptides comprising these peptides.

In a preferred embodiment the peptide comprises the amino acid sequence of SEQ ID NO:3. In another embodiment the peptide comprises the amino acid sequence of SEQ ID NO:43. In yet another preferred embodiment the peptide comprises the amino acid sequence of SEQ ID NO:48.

In particular embodiments the ZA loop is obtained from the bromodomain having the amino acid sequence of SEQ ID NO:7, or SEQ ID NO:8, or SEQ ID NO:9, or SEQ ID NO: 10, or SEQ ID NO: 11, or SEQ ID NO: 12, or SEQ ID NO: 13, or SEQ ID NO: 14, or SEQ ID NO:15, or SEQ ID NO:16, or SEQ ID NO:17, or SEQ ID NO:18, or SEQ ID NO:19, or SEQ ID NO:20, or SEQ ID NO:21, or SEQ ID NO: 22, or SEQ ID NO:23, or SEQ ID NO:24, or SEQ ID NO:25, or SEQ ID NO:26, or SEQ ID NO:27, or SEQ ID NO:28, or SEQ ID NO:29, or SEQ ID NO:30, or SEQ ID NO: or SEQ ID NO:31, or SEQ ID NO:32, or SEQ ID NO: 33, or SEQ ID NO:34, or SEQ ID NO:35, or SEQ ID NO:36, or SEQ ID NO:37, or SEQ ID NO:38, or SEQ ID NO: or SEQ ID NO:39, or SEQ ID NO:40, or SEQ ID NO:41, or SEQ ID NO:42.

The present invention also provides antibodies raised against the peptides/proteins of the present invention, or raised against an antigenic fragment of these proteins/fragments. In a particular embodiment an antibody is raised against a fragment of the ZA loop of a bromodomain. In another embodiment an antibody is raised against a fragment of a protein or peptide that comprises an acetyl-lysine, wherein the protein or peptide can bind to a bromodomain. Such fragments can be conjugated to a carrier protein or be part of a fusion protein. In one embodiment the antibody is a polyclonal antibody. In another embodiment, the antibody is a monoclonal antibody. A hybridoma that makes the monoclonal antibody is also part of the present invention. In a particular embodiment the antibody is a chimeric antibody. Antibodies that can specifically recognize acetyl-lysine residues involved bromodomain binding are also part of the present invention.

In another aspect of the present invention a method is provided for identifying a compound that modulates the affinity of a bromodomain for a ligand (and/or protein) that comprises an acetylated lysine or an analog of an acetylated lysine (see FIG. 12). One such embodiment comprises contacting the bromodomain and the ligand in the presence of a compound under conditions that, the bromodomain and the ligand bind in the absence of the compound. The affinity of the bromodomain for the ligand is then determined (e.g., measured). A compound is identified as a compound that modulates the affinty of the bromodomain for the ligand when there is a change in the affinity of the bromodomain for the ligand in the presence of the compound. When the affinity of the bromodomain for the ligand increases in the presence of the compound, the compound is identified as a promoting agent for the bromodomain-ligand complex. When the affinity of the bromodomain for the ligand decreases in the presence of the compound, the compound is identified as an inhibitor of the bromodomain-ligand complex. In a preferred embodiment, the compound to be tested is pre-selected by performing rational drug design with the set of atomic coordinates obtained from one or more of Tables 1-6. More preferably the selecting is performed in conjunction with computer modeling. In a particular embodiment, the compound is selected by performing rational drug design with the set of atomic coordinates obtained from a set of atomic coordinates defining the three-dimensional structure of a bromodomain consisting of the amino acid sequence of SEQ ID NO:7 alone or with acetyl-histamine.

The present invention also provides a method of identifying a compound that modulates the stability of a bromodomain-ligand binding complex. Preferably the ligand comprises either an acetyl-lysine or an analog of acetyl-lysine. One such embodiment comprises contacting the bromodomain-ligand binding complex in the presence of the compound under conditions in which the bromodomain-ligand binding complex forms in the absence of the compound. The stability of the bromodomain-ligand binding complex is then determined (e.g., measured). A compound is identified as a compound that modulates the stability of the bromodomain-ligand binding complex when there is a change in the stability of the bromodomain-ligand binding complex in the presence of that compound. When the stability of the bromodomain-ligand binding complex increases in the presence of the compound, the compound is identified as a stabilizing agent. When the stability of the bromodomain-ligand binding complex decreases in the presence of the compound, the compound is identified as an inhibitor. In a preferred embodiment, the compound to be tested is pre-selected by performing rational drug design with the set of atomic coordinates obtained from one or more of Tables 1-6. More preferably the selecting is performed in conjunction with computer modeling. In a particular embodiment, the compound is selected by performing rational drug design with the set of atomic coordinates obtained from a set of atomic coordinates defining the three-dimensional structure of a bromodomain consisting of the amino acid sequence of SEQ ID NO:7 alone or with acetyl-histamine.

As anyone having skill in the art of drug development would readily understand, the potential drugs selected by the above methodologies can be refined by re-testing in appropriate drug assays, including those disclosed herein. Chemical analogs of such potential drugs can be obtained (either through chemical synthesis or drug libraries) and be analogously tested. Therefore, methods comprising successive iterations of the steps of the individual drug assays, as exemplified herein, using either repetitive or different binding studies, or transcription activation studies or other such studies are envisioned in the present invention. In addition, potential drugs may be identified first by rapid throughput drug screening, as described below, prior to performing computer modeling on a potential drug using the three-dimensional structure of the bromodomain.

The present invention further comprises all of the potential, selected, and putative compounds (drugs) identified by the methods of the present invention, as well as the final drugs themselves identified with the methods of the present invention.

The present invention further provides a method for identifying a potential binding partner for a protein (e.g., a histone) comprising an acetyl-lysine. One such embodiment comprises contacting the protein with a polypeptide comprising a bromodomain. In a preferred embodiment the bromodomain comprises the amino acid sequence of SEQ ID NO:3. In particular embodiments the bromodomain has the amino acid sequence of SEQ ID NO:7, or SEQ ID NO:8, or SEQ ID NO:9, or SEQ ID NO:10, or SEQ ID NO: 11, or SEQ ID NO: 12, or SEQ ID NO: 13, or SEQ ID NO: 14, or SEQ ID NO:15, or SEQ ID NO:16, or SEQ ID NO: 17, or SEQ ID NO:18, or SEQ ID NO:19, or SEQ ID NO:20, or SEQ ID NO:21, or SEQ ID NO: 22, or SEQ ID NO:23, or SEQ ID NO:24, or SEQ ID NO:25, or SEQ ID NO:26, or SEQ ID NO:27, or SEQ ID NO:28, or SEQ ID NO:29, or SEQ ID NO:30, or SEQ ID NO: or SEQ ID NO:31, or SEQ ID NO:32, or SEQ ID NO: 33, or SEQ ID NO:34, or SEQ ID NO:35, or SEQ ID NO:36, or SEQ ID NO:37, or SEQ ID NO:38, or SEQ ID NO: or SEQ ID NO:39, or SEQ ID NO:40, or SEQ ID NO:41, or SEQ ID NO:42.

The present invention further provides a method for identifying a protein having a bromodomain. One such embodiment comprises contacting a cellular extract with a peptide comprising an acetyl-lysine and/or an acetyl-lysine analog.

The present invention further provides agents that can inhibit the binding of a bromodomain with a protein comprising an acetyl-lysine. In one embodiment the agent is ISYGR-AcK-KRRQRR (SEQ ID NO:4). In another embodiment the agent is ARKSTGG-AcK-APRKQL (SEQ ID NO:5). In still another embodiment the agent is QSTSRHK-AcK-LMFKTE (SEQ ID NO:6). In yet another embodiment the agent is an analog of acetyl-lysine (see FIGS. 12 and 13). One particular analog of acetyl-lysine is acetyl-histamine. In still another embodiment the agent is an antibody that recognizes an acetyl-lysine of a protein binding partner of a bromodomain. In a preferred embodiment the agent is an antibody raised against a ZA loop of a bromodomain. These agents can be used as pharmaceuticals in compositions that contain a pharmaceutically acceptable carrier for example, or in the various drug assays of the present invention, serving as controls to demonstrate specificity.

The present invention further provides an apparatus that comprises a representation of a bromodomain or a bromodomain-ligand complex (e.g., the Tat-P/CAF complex). One such apparatus is a computer that comprises the representation of the bromodomain or a bromodomain-ligand complex in computer memory. In one embodiment, the computer comprises a machine-readable data storage medium which contains data storage material that is encoded with machine-readable data which comprises the atomic coordinates from a bromodomain or a bromodomain-ligand complex. Preferably the computer comprises a machine-readable data storage medium which contains data storage material that is encoded with machine-readable data which comprises a portion or all of the structural coordinates contained in Tables 1-6 and 10-14. In one embodiment, the computer comprises a machine-readable data storage medium which contains data storage material that is encoded with machine-readable data which comprises the structural coordinates for the Tat-P/CAF complex. More preferably the computer further comprises a working memory for storing instructions for processing the machine-readable data, a central processing unit coupled to both the working memory and to the machine-readable data storage medium for processing the machine readable data into a three-dimensional representation of the Tat-P/CAF complex, for example. In a preferred embodiment, the computer also comprises a display that is coupled to the central-processing unit for displaying the three-dimensional representation.

In addition, the present invention provides methods of identifying compounds that modulate the affinity of P/CAF for Tat that is acetylated at the lysine residue at position 50 of SEQ ID NO:45. In one such embodiment the method comprises contacting the bromodomain of P/CAF or a fragment thereof with a binding partner in the presence of the compound under conditions in which the bromodomain of P/CAF and the binding partner bind in the absence of the compound. The affinity of the bromodomain of P/CAF and the binding partner is then determined (e.g., measured). When there is a change in the affinity of the bromodomain of P/CAF for the binding partner in the presence of the compound, the compound is identified as a modulator. In one embodiment of this type the binding partner is Tat that is acetylated at the lysine residue at position 50 of SEQ ID NO:45. In a preferred embodiment the binding partner is a fragment of Tat comprising an acetyl-lysine at position 50. In still another embodiment the binding partner is an analog of the fragment of Tat comprising an acetyl-lysine at position 50. When the affinity of the bromodomain of P/CAF for the binding partner increases in the presence of the compound, the compound is identified as a Tat-P/CAF complex promoting agent, whereas when the affinity of the bromodomain of P/CAF for the binding partner decreases in the presence of the compound, the compound is identified as an inhibitor of the Tat-P/CAF complex.

In a preferred embodiment the compound is selected by performing rational drug design with the set of atomic coordinates obtained from one or more of Tables 1-5 and 10-14. More preferably the selection is performed in conjunction with computer modeling. Compounds selected by these methods are also part of the present invention. Preferably the compound is a small organic molecule. More preferably the compound is an analog of acetyl-lysine. Even more preferably, the compound is not included in Table 15-1 to 15-33.

The present invention also provides methods of identifying a compound that modulates the stability of the binding complex formed between P/CAF and Tat that is acetylated at the lysine residue at position 50 of SEQ ID NO:45. In one such embodiment the method comprises contacting the bromodomain of P/CAF or a fragment thereof with a binding partner in the presence of the compound under conditions in which the bromodomain of P/CAF and the binding partner bind in the absence of the compound. The stability of the bromodomain of P/CAF and the binding partner is then determined (e.g., measured). When there is a change in the stability of the binding complex between the bromodomain of P/CAF and the binding partner in the presence of the compound, the compound is identified as a modulator. In one embodiment of this type the binding partner is Tat that is acetylated at the lysine residue at position 50 of SEQ ID NO:45. In a preferred embodiment the binding partner is a fragment of Tat comprising an acetyl-lysine at position 50. In still another embodiment the binding partner is an analog of the fragment of Tat comprising an acetyl-lysine at position 50. When the stability of the bromodomain of P/CAF for the binding partner increases in the presence of the compound, the compound is identified as a stabilizing agent, whereas when the stability of the bromodomain of P/CAF for the binding partner decreases in the presence of the compound, the compound is identified as an inhibitor of the Tat-P/CAF complex. In a preferred embodiment the compound is selected by performing rational drug design with the set of atomic coordinates obtained from one or more of Tables 1-5 and 10-14. More preferably the selection is performed in conjunction with computer modeling. Compounds identified by these methods are also part of the present invention. Preferably the compound is an analog of acetyl-lysine. More preferably the compound is a small organic molecule not included in Table 15-1 to 15-33.

The present invention also provides agents that can modulate the binding of P/CAF and Tat. In a preferred embodiment the agent is a small organic molecule. Preferably the agent inhibits and/or destabilizes the binding of P/CAF with Tat. Preferably the agent is an analog of acetyl-lysine. More preferably the agent is not included in FIG. 13.

Another aspect of the present invention provides methods of preventing, and/or retarding the progression and/or treating HIV infection in an individual. One such method employs administering to the individual compounds that modulate the Tat-P/CAF complex selected by performing rational drug design with the set of atomic coordinates obtained from one or more of Tables 1-5 and 10-14. In a preferred embodiment the compound administered is an acetyl-lysine analog. In a particular embodiment this compound is a small organic molecule contained in Table 15-1 to 15-33. Preferably the compound either de-stabilizes or inhibits the Tat-P/CAF complex.

Accordingly, it is a principal object of the present invention to provide the three-dimensional coordinates of a bromodomain.

It is a further object of the present invention to provide the three-dimensional coordinates of a bromodomain complexed with acetyl-histamine.

It is a further object of the present invention to provide the three-dimensional coordinates of the Tat-P/CAF complex.

It is a further object of the present invention to provide an assay for identifying proteins that contain bromodomains that bind proteins that comprise acetyl-lysine.

It is a further object of the present invention to provide methods of identifying drugs that can modulate the bromodomain-acetyl-lysine binding complex.

It is a further object of the present invention to provide methods of identifying drugs that can inhibit the binding of a bromodomain to a protein containing acetyl-lysine.

It is a further object of the present invention to provide methods of identifying drugs that can modulate the Tat-P/CAF binding complex.

It is a further object of the present invention to provide methods of identifying drugs that can inhibit the binding/formation of the Tat-P/CAF binding complex.

It is a further object of the present invention to provide methods that incorporate the use of rational design for identifying such drugs.

It is a further object of the present invention to provide a method of identifying drugs that can treat leukemia.

It is a further object of the present invention to provide a method of identifying drugs that can treat, retard the progression, prevent and/or cure AIDS.

These and other aspects of the present invention will be better appreciated by reference to the following drawings and Detailed Description.

BRIEF DESCRIPTION OF THE DRAWINGS

FIG. 1. Structure-based sequence alignment of a selected number of bromodomains. The sequences were aligned based on the NMR-derived structure of the P/CAF bromodomain, and the predicated four a-helices are shown in green boxes. Bromodomains are grouped on the basis of the sequence and/or functional similarities as described by Jeanmougin et al., [Trends in Biochemical Sciences, 22:151-153 (1997)]. Residue numbers of the P/CAF bromodomain are indicated above its sequence. Three absolutely conserved residues, corresponding to Pro751, Pro767, and Asn803 in the P/CAF bromodomain, are shown in red. Highly conserved residues are colored in blue. The residues of the P/CAF bromodomain that interact with acetyl-histamine, as determined by intermolecular NOEs, are indicated by asterisks. The ZA loop, which is critical for acetyl-lysine binding, for each of the indicated bromodomains is also identified. The underlined residues were changed individually by site-directed mutagenesis to Ala. Genbank accession numbers for the proteins are as indicated in Table 8, in the Example below, along with the SEQ ID NOs. for the bromodomain sequences. Specifically, hsp/CAF (SEQ ID NO:7) hsGCN5 (SEQ ID NO:8), ttP55 (SEQ ID NO:9), scGCN5 (SEQ ID NO:10), hsP300 (SEQ ID NO:11), hsCBP (SEQ ID:12), mmCBP (SEQ ID NO:13), ceYNJ1 (SEQ ID NO:14), hsCCG1 -1 (SEQ ID NO:15), msCCG1-1 (SEQ ID NO:16), hsCCG1-2 (SEQ ID NO:17), msCCG1-2 (SEQ ID NO:18), hsRing3-1 (SEQ ID NO:19), hsOREX1 (SEQ ID NO:20), dmFSH1 (SEQ ID NO:21) hsBR140(SEQ ID NO:27) hsSMAP (SEQ ID NO:28), ggPB1 (SEQ ID NO:29), ggPB1-2 (SEQ ID NO:30), ggPB1-3 (SEQ ID NO:31), ggPB1-4 (SEQ ID NO:32), ggPB1-5 (SEQ ID NO:33), spBRO-1 (SEQ ID NO: 34), spBRO-2 (SEQ ID NO:35 ), hsSNf2a (SEQ ID NO:36), hsBRGL (SEQ ID NO:37), ggBRM (SEQ ID NO:38), ggBRG1 (SEQ ID NO:39), hsTIF1b (SEQ ID NO:40), mmTIF1b (SEQ ID NO:41), and mmTIF1a (SEQ ID NO:42) are exemplified.

FIGS. 2A-2H depict the structure of the P/CAF bromodomain. FIGS. 2A-2B shows the stereoview of the C_α trace of 30 superimposed NMR-derived structures of the bromodomain (residues 722-830). The N-terminal four residues (SKEP) (residues 1-4 of SEQ ID NO: 7) which are structurally disordered are omitted for clarity. For the final 30 structures, the root-mean-square deviations (RMSDs) of the backbone and all heavy atoms are 0.63±0.11 Å and 1.15±0.12 Å for residues 723-830, respectively. The RMSDs of the backbone and all heavy atoms for the four α-helices (residues 727-743, 770-776, 785-802, and 807-827), are 0.34±0.04 Å and 0.87±0.06 Å, respectively. FIGS. 2C-2D show the stereoview of the bromodomain structures from the bottom of the protein, which is rotated approximately 90from the orientation in FIGS. 2A-2B. FIG. 2E shows the Ribbons [Carson, M., J. Appl. Crystallogr. 24:958-961 (1991)] depiction of the averaged minimized NMR structure of the P/CAF bromodomain. The orientation of FIG. 2E is as shown in FIGS. 2A-2B. FIGS. 2F-2G are schematic representations of the overall topology of the up-and-down four-helix bundle folds with the opposite handedness. The left-handed fold is seen in bromodomain, cytochrome b₅, and T4 lysozyme (left, FIG. 2F), whereas the right-handed four-helix bundles are observed in proteins such as hemerythrin and cytochrome b₅₆₂(right, FIG. 2G) [Richardson, J., Adv. Protein Chem., 34:167-339 (1989); Presnell and Cohen, Proc. Natl. Acad. Sci. USA 86:6592-6596 (1989)]. FIG. 2H is a molecular surface representation of the electrostatic potential (blue=positive; red=negative) of the bromodomain calculated in GRASP [Nicholls et al., Biophys. J. 64:166-170 (1993)]. The hydrophobic and aromatic residues (Tyr809, Tyr802, Tyr760, Ala757, and Val752) located between the ZA and BC loops are indicated.

FIGS. 3A-3C show the binding of the P/CAF bromodomain to AcK. FIG. 3A shows the superimposed region of the 2D ¹⁵N-HSQC spectra of the bromodomain (approximately 0.5 mM) in its free form (red) and complexed to the AcK-containing H4 peptide (molar ratio 1:6) (black). FIG. 3B is the Ribbon and dotted-surface diagram of the bromodomain depicting the location of the lysine-acetylated H4 peptide binding site. The color coding reflects the chemical shift changes (Δδ) of the backbone amide ¹H and ¹⁵N resonances upon binding to the AcK peptide as observed in the ¹⁵N-HSQC spectra. The normalized weighted average of the chemical shift changes was calculated by Δ_av/Δ_max=[Δδ²_NH+Δδ²_N/25)/2]^1/2/Δ_max, where Δ_maxis the maximum weighted chemical shift difference observed for Tyr809 (0.16 ppm). The backbone atoms are color-coded in red, yellow, or green for residues that have α_av/Δ_maxof >0.6 (Tyr809, Glu808, Asn803, and Ala757), 0.2-0.6 (Ala813, Tyr802, Tyr760, and Val752), or <0.2 (Cys812, Ser807, Cys799, Phe796, and Phe748), respectively. The non-perturbed residues are shown in blue. FIG. 3C shows the chemical structures of acetyl-lysine, acetyl-histamine, and acetyl-histidine.

FIG. 4 depicts the acetyl-lysine binding pocket. This is the Ribbons [Carson, M., J. Appl. Crystallogr. 24:958-961 (1991)] depiction of a portion of the P/CAF bromodomain complexed with the acetyl-histamine. The ligand is color-coded by atom type.

FIGS. 5A-5B show the binding of various bromodomains from P/CAF, CBP and TIF1b to the N-terminal biotinylated and lysine-acetylated Tat peptide that was immobilized on streptavidin agarose.

FIGS. 6A-6D shows the lysine-acetylated HIV-1 Tat protein interactions with bromodomains using 2D 1H-15N-HSQC spectra of the P/CAF or CBP bromodomain in the presence (red) or absence (black) of the lysine-acetylated peptides. Binding of the P/CAF bromodomain to the Tat AcK 50 peptide SYGR-AcK-KRRQRC (SEQ ID NO:50) is shown in FIG. 6A, to the Tat AcK 28 peptide TNCYCK-AcK-CCFH (SEQ IUD NO:58) is shown in FIG. 6B, and to histone H4 AcK16 peptide SGRGKGGKGLGKGGA-AcK-RHRK (SEQ ID NO:59) is shown in FIG. 6C. FIG. 6D shows the binding of the CBP of the bromodomain to the Tat AcK50 peptide. AcK is an acetyl-lysine residue

FIG. 7 is a bar graph of the measurement of superinduction of Tat transactivation activity by P/CAF. Tat-KK is the wild type Tat protein, and Tat-RR is the double mutant Tat carrying lysine to arginine mutations at K50 and K51 positions.

FIGS. 8A-8B show a western blot assay to detect P/CAF interaction with the Tat protein. Note that the protein-protein interaction was only observed with the wild type Tat but not with the Tat K50R/K51R mutant protein. The FLAG was joined to the Tat peptide, whereas the HA-tag was joined to P/CAF.

FIG. 9 depicts the structure of the P/CAF bromodomain in the complex with the lysine-acetylated Tat peptide (SYGR-AcK-KRRQRC, SEQ ID NO:50, where AcK is acetyl-lysine residue). The side chains of the amino acid residues on both the protein (green) and peptide (dark orange) that showed intermolecular NOEs in the NMR spectra are displayed.

FIGS. 10A-10B shows the results of the mutational analyses of the P/CAF bromodomain binding to the HIV-1 Tat. FIG. 10A shows the effects of the point mutation of the individual residues of the bromodomain to alanine on the protein binding to the lysine-acetylated Tat peptide. FIG. 10B is an assessment of the peptide residue mutation on its binding to the P/CAF bromodomain.

FIG. 11 depicts a schematic of a computer comprising a central processing unit (“CPU”), a working memory, a mass storage memory, a display terminal, and a keyboard that are interconnected by a conventional bidirectional system bus. The computer can be used to display and manipulate the structural data of the present invention.

FIG. 12 depicts the chemical structure common to the acetyl-lysine analogs of the present invention. R₁, R₂, and R₃can be H, CH₃, a halogen (e.g., F, Cl, Br, I etc.), OH, SH, or NH₃⁺. R4 can be an alkyl (including a peptide/protein attached thereto such as a peptide comprising an acetyl-lysine in which the “N” of the structure depicted is the epsilon nitrogen (i.e., N^ε) of a lysyl residue), or an aryl group. See also Tables 15-1 to 15-33 for examples.

DETAILED DESCRIPTION OF THE INVENTION

The present invention identifies a general binding partner (ligand) for the protein motif known as the bromodomain. Indeed, by combining structural and site-directed mutagenesis studies the present invention demonstrates that bromodomains can interact specifically with acetyl-lysine (AcK), making them the first protein modules known to exhibit such interactions. Like other modular domains, such as Src homology-2 (SH2) and phosphotyrosine binding (PTB) domains, which specifically interact with phosphotyrosine-containing proteins, the bromodomain/acetyl-lysine recognition provides a means to regulate protein-protein interactions via protein lysine acetylation. The nature of the acetyl-lysine recognition by the bromodomain is similar to that of histone acetyltransferase interaction with acetyl-CoA. The present invention therefore couples for the first time, the functionality of the bromodomain with the HAT activity of coactivators in the regulation of gene transcription.

The present invention further provides both a nuclear magnetic resonance (NMR) structure of the bromodomain from the HAT coactivator P/CAF (p300/CBP-associated factor) as well as the structure for the P/CAF bromodomain in complex with acetyl-histamine. The structure reveals an unusual left-handed up-and-down four-helix bundle.

The results disclosed herein explain prior deletion experiments which showed that the bromodomain is indispensable for the function of GCN5 in yeast. Bromodomain-AcK binding also appears to be important for the assembly and activity of multiprotein complexes in transcriptional activation. The results reported herein therefore form the foundation for identifying specific biological ligands and for defining the molecular mechanisms by which the extensive family of bromodomains participate in chromatin remodeling and transcriptional activation

As disclosed herein, the binding partner for the bromodomain is a peptide or protein comprising an acetyl-lysine (AcK). Interestingly, whereas a free acetyl-lysine does not appear to bind the bromodomain, an analog of the acetyl-lysine, acetyl-histamine, does. This is most likely due to the additional charge present in the free amino acid. Consistently, free acetyl-histidine also does not to bind the bromodomain.

In addition, as disclosed herein, the gene transactivation of HIV-1 Tat protein requires lysine-acetylation at amino acid residue 50 of Tat (see SEQ ID NO:45) by the transcription co-activator p300/CBP and the subsequent formation of a binding complex between the Tat having the acetylated lysine with P/CAF. The binding complex between P/CAF and Tat is mediated via the bromodomain of P/CAF and the acetylated lysine of Tat. Indeed, this binding is required for the gene transactivation activity of Tat and thus, for HV-1 expression and replication.

The present invention further provides a key region of the bromodomain for the interaction with its acetyl-lysine binding partner, the ZA loop. The amino acid sequence of the ZA loop is defined in FIG. 1 for a number of bromodomains and is depicted in FIG. 2A for P/CAF. In a particular embodiment, the ZA loop has between about 21 and 40 amino acid residues comprising the amino acid sequence:

F X_2-3P X_5-8J_P/K/HX Y J_Y/F/HX₅P J_M/I/VD (SEQ ID NO:3)

more preferably the ZA loop has about 23 to 34 amino acid residues and comprises the amino acid sequence:

X₂F X_2-3P X_5-8J_P/K/HX Y J_Y/F/HX₅P J_M/I/VD (SEQ ID NO:43)

In a specific embodiment, the ZA loop has between about 20 and 64 amino acid residues comprising the amino acid sequence:

F X_2-4V X_2-4E X_2-4Y X_1-3VJ_I/L/M/V (SEQ ID NO:48)

- (1) The single letter amino acid code is used in this description, i.e., “F” for phenylalanine; “P” for proline; “Y” for tyrosine; and “D” for aspartic acid.
- (2) “X” indicates any amino acid (an undesignated amino acid); and X, X₂, X_2-3, X₅, and X_5-8indicates one undesignated amino acid, two consecutive undesignated amino acids, two or three consecutive undesignated amino acids, five consecutive undesignated amino acids, and five to eight consecutive undesignated amino acids respectively.
- (3) “J” indicates that identity of the amino acid is restricted to a particular group, again the one letter code is used
  - (i) J_P/K/His either proline, lysine or histidine.
  - (ii) J_Y/F/His either tyrosine, phenylalanine or histidine.
  - (iii) J_M/I/Vis either methionine, isoleucine, or valine.
  - (iv) J_I/L/M/Vis either isoleucine, leucine, methionine, or valine

Since this region of the bromodomain is important in binding its acetyl-lysine binding partner, antibodies specifically raised against this region are also included in the present invention. In a particular embodiment, the antibody is a humanized chimeric antibody that can be used in therapeutic treatment. Thus monoclonal, chimeric, and polyclonal antibodies raised against bromodomains, preferably against amino acid residues in the ZA loop region are part of the present invention. In a specific embodiment the antibody is raised against a peptide, fusion peptide or conjugated peptide consisting of amino acid residues 746 to 765 of SEQ ID NO:2, i.e., WPFMEPVKRTEAPGYYEVIR (SEQ ID NO:44). In another embodiment the antibody is raised against a peptide, fusion peptide or conjugated peptide consisting of amino acid residues 748 to 809 of SEQ ID NO:2 (which is SEQ ID NO:49).

Such antibodies can be used in the treatment of leukemia or AIDs for example. Alternatively, these antibodies can be used in drug discovery assays.

Analogously, the present invention provides peptides derived from the HIV-1 Tat protein. In one such embodiment the peptide comprises 7 to 21 amino acid residues comprising the amino acid sequence

YGRKX_1-3RQ (SEQ ID NO:46)

In a specific embodiment the peptide fragment of Tat has ten amino acid residues and the amino acid sequence:

SYGRKKRRQR (SEQ ID NO:47)

Preferably the lysine corresponding to lysine50 of Tat (see SEQ ID NO:45) is acetylated. These peptide fragments can be used in the drug assays of the present invention and/or as antigens for antibodies that specifically interfere with the interaction (e.g., binding) of Tat with P/CAF interaction.

The present invention provides the first detailed structural information regarding a bromodomain and a bromodomain complexed with its acetylated binding partner. The present invention therefore provides the three-dimensional structure of the bromodomain and abromodomain acetylated binding partner complex. Since the interaction of the bromodomain with a histone for example, can play a significant role in chromatin remodeling/regulation, the structural information provided herein can be employed in methods of identifying drugs that can modulate basic cell processes by modulating the transcription. In a particular embodiment, the three-dimensional structural information is used in the design of a small organic molecule for the treatment of cancer or as disclosed below, HIV-1 infection and/or AIDs. In addition, the present invention provides a critical structural feature for a class of inhibitors (acetyl-lysine analogs) of the interaction between bromodomains and their protein binding partners which contain an acetylated-lysine (e.g., Tat with P/CAF), see FIG. 12, as well as a compilation of compounds that share this critical feature, see Table 15-1 to 15-33.

Indeed, the bromodomain and lysine-acetylated protein interaction can now be implicated to play a causal role in the development of a number of diseases including cancers such as leukemia. For example, chromatin remodeling plays a central role in the etiology of viral infection and cancer [Archer and Hodin, Curr. Opin. Genet. Biol. 9:171-174 (1999); Jacobson and Pillus, Curr. Opin. Genet. Biol. 9:175-184 (1999)]. Both altered histone acetylation/deacetylation and aberrant forms of chromatin-remodeling complexes are associated with human diseases. Furthermore, chromosomal translocation of various cellular genes with those encoding HATs and subunits of chromatin remodeling complexes have been implicated in leukomogenesis. The MOZ (monocytic leukemia zinc finger) and MLL/ALL-1 genes are frequently fused to the gene encoding the co-activator HAT CBP [Sobulo et al., Proc. Natl. Acad. Sci. USA 94:8732-8737(1997)]. The resulting fusion protein MLL-CBP contains the tandem bromodomain-PHD finger-HAT domain of CBP. It also has been shown that both the bromodomain and HAT domain of CBP are required for leukomogenesis, because deletion of either the bromodomain or the HAT domain results in loss of the MLL-CBP fusion protein's ability for cell transform. These results indicate that the CBP bromodomain, and more particularly, the ZA loop of the CBP bromodomain, is an excellent target for developing drugs that interfere with the bromodomain acetyl-lysine interaction that can be used in the treatment of human acute leukemia. In addition, an antibody (e.g., a humanized antibody) raised specifically against a peptide from the ZA loop of the CBP bromodomain could also be effective for treating these conditions.

In addition, it now known that the human immunodeficiency virus type 1 (HIV-1) trans-activator protein, Tat, is tightly regulated by lysine acetylation [Kiernan et al., EMBO Journal 18:6106-6118 (1999)]. HIV-1 Tat transcriptional activity is absolutely required for productive HIV viral replication [Jeang and Gatignol, Curr. Top. Microbiol. Immunol., 188:123-144(1994)]. Therefore, the interaction of the acetyl-lysine of Tat with one or more bromodomain-containing proteins associated with chromatin remodeling could mediate gene transcription. More particularly, it is disclosed herein that acetylated lysine50 of Tat specifically binds to the bromodomain of P/CAF. Therefore, this particular bromodomain/lysine-acetylated Tat interaction serves as a drug target for blocking HIV replication in cells. As indicated above, an antibody raised specifically against a peptide from the ZA loop of the P/CALF bromodomain could also be effective for treating and/or preventing HIV infections including those that lead to AIDs.

In addition, based on the new structural information disclosed herein, the key amino acid residues for the binding of a given bromodomain and its binding partner can be identified and further elucidated using basic mutagenesis and standard isothermal titration calorimetry, for example. Indeed, both the critical amino acids for the bromodomain and the binding partner (i.e., apart from the acetyl-lysine) can be readily determined and are also part of the present invention.

Therefore, the results obtained from the structural and functional studies disclosed herein provide the foundation for both high throughput drug screening and structure-based rational drug design. The agents identified by this procedure are useful for ameliorating conditions involving chromatin remodeling/regulation, and/or in the treatment of cancer and/or AIDS, as indicated above.

Structure based rational drug design is the most efficient method of drug development. However, heretofore, no information has been disclosed regarding the structure of the bromodomain or more importantly, its interaction with the acetyl-lysine of its binding partner. Obtaining detailed structural information requires an extensive NMR or X-ray crystallographic analysis. By determining and then exploiting the detailed structural information of the bromodomain and of the bromodomain/acetyl-histamine (exemplified by NMR analysis below) the present invention provides novel methods for developing new drugs through structure based rational drug design.

Thus the present invention provides representative sets of the atomic structure coordinates of the free form of the P/CAF bromodomain (Table 5), of the P/CAF bromodomain-acetyl-histamine complex (Table 6) and of the Tat-P/CAF complex (Table 10) which were all obtained by NMR analysis. A Ribbon diagram of the three-dimensional structure of the P/CAF bromodomain is depicted in FIG. 2E, whereas the P/CAF bromodomain acetyl-lysine binding pocket is depicted in FIG. 4 and the Tat-P/CAF complex is depicted in FIG. 9. The present invention also provides the NOE-derived distance restraints, and NMR chemical shift assignments of the P/CAF bromodomain. and the Tat-P/CAF complex. The NMR chemical shift assignments of the P/CAF bromodomain are included in the chemical shift table (Table 1) for the ¹H-¹⁵N HSQC spectrum of P/CAF bromodomain. The unambiguous NOE-derived nter-proton Distance Restraints (Table 2), the ambiguous NOE-derived Inter-proton Distance Restraints (Table 3) and the ¹H bonding restraints (Table 4) are also disclosed herein. The NMR chemical shift assignments of the Tat-P/CAF complex are included in the chemical shift table (Table 11) for the ¹H—¹⁵N HSQC spectrum of P/CAF bromodomain. The unambiguous NOE-derived Inter-proton Distance Restraints (Table 13), the ambiguous NOE-derived Inter-proton Distance Restraints (Table 14) and the ¹H bonding restraints (Table 12) are also disclosed herein. The sample atomic coordinate data provided enable the skilled artisan to practice the invention.

In addition, Tables 1-6 and/or 10-14 are also capable of being placed into a computer readable form which is also part of the present invention. Furthermore, methods of using these coordinates and chemical shifts and related information (including in computer readable forms) either individually or together in drug assays are also provided. More particularly, such atomic coordinates can be used to identify potential ligands or drugs which will modulate the binding of a bromodomain with its binding partner.

In a particular aspect of the present invention, the lysine-acetylated Tat is shown herein to specifically bind to the bromodomain of the p300/CBP-associated factor (P/CAF) in vitro and in vivo. Structural and mutational analyses provides the identification of key amino acid residues on both the bromodomain and Tat that are important for the binding complex. The identification of these important amino acid residues further demonstrates the biological importance of this interaction for Tat transactivation activity. Together, the findings disclosed herein indicate a novel mechanism by which the lysine-acetylated Tat recruits P/CAF via a bromodomain interaction, leading to chromatin remodeling-mediated transcriptional activation of HIV-1. Furthermore, the extreme specificity of the Tat-P/CAF binding (see e.g., FIGS. 5A-5B and 10A-10B) indicates that compounds that interfere with this binding complex are not likely to interfere to otherwise related bromodomain-ligand interactions.

Therefore, the three-dimensional structural information provided by the present invention allows the identification and/or design of specific compounds that can act as modulators of crucial processes. In the case of the Tat-P/CAF interaction, such compounds can be used as drugs to inhibit HIV-1 expression in a cell and/or subsequent infection of other cells. Therefore, the inhibitors identified and/or designed by the methods disclosed can be used to prevent, treat, retard the progression, and potentially cure HIV-1 infections and AIDS.

Therefore, if appearing herein, the following terms shall have the definitions set out below.

As used herein a “bromodomain-acetyl-lysine binding complex” is a binding complex between a bromodomain or fragment thereof and either a peptide/polypeptide comprising an acetyl-lysine (or an analog of acetyl-lysine), or a free analog of acetyl-lysine, such as acetyl-histamine disclosed in the Example below. Preferably, the peptide comprises at least six amino acids in addition to the acetyl-lysine. A fragment of a bromodomain preferably comprises a ZA loop as defined below. The dissociation constant of a bromodomain-acetyl-lysine binding complex is dependent on whether the lysine residue or analog thereof is acetylated or not, such that the affinity for the bromodomain and the peptide comprising the lysine residue (for example) significantly decreases when that lysine residue is not acetylated. One example of a bromodomain-acetyl-lysine binding complex is that formed between P/CAF with Tat (the “Tat-P/CAF complex”) as exemplified below.

As used herein the term “acetyl-lysine analog” is used interchangeably with the term “analog of acetyl-lysine” and is a compound that contains the acetyl-amine-like structure as depicted in FIG. 12. Examples of acetyl-lysine analogs are included in Table 15-1 to 15-33.

As used herein a “ZA loop” of a bromodomain is a key protion of a bromodomain that is involved in the binding of the bromodomain to the acetyl-lysine. The structure of the actual ZA loop of the bromodomain of P/CAF is depicted in FIG. 2A. As used herein, however, a ZA loop has between about 20 and 40 amino acids and preferably comprises the amino acid sequence of SEQ ID NO:3 and/or SEQ ID NO:48. More preferably the ZA loop comprises between about 23 to 34 amino acids. In a specific embodiment the ZA loop has the amino acid sequence SEQ ID NO:43. The amino acid sequence of the ZA loop for a representative number of individual bromodomains is shown in FIG. 1.

A “polypeptide” or “peptide” comprising a fragment of a bromodomain, such as the ZA loop, or a peptide or polypeptide comprising an acetyl-lysine, as used herein can be the “fragment” alone, or a larger chimeric or fusion peptide/protein which contains the “fragment”.

As used herein the terms “fusion protein” and “fusion peptide” are used interchangeably and encompass “chimeric proteins and/or chimeric peptides” and fusion “intein proteins/peptides”. A fusion protein comprises at least a portion of a protein or peptide of the present invention, e.g., a bromodomain, joined via a peptide bond to at least a portion of another protein or peptide including e.g., a second bromodomain in a chimeric fusion protein. In a particular embodiment the portion of the bromodomain is antigenic. Fusion proteins can comprise a marker protein or peptide, or a protein or peptide that aids in the isolation and/or purification of the protein, for example.

As used herein, and unless otherwise specified, the terms “agent”, “potential drug”, “compound”, “test compound” or “potential compound” are used interchangeably, and refer to chemicals which potentially have a use as an inhibitor or activator/stabilizer of bromodomain-acetyl-lysine binding. Therefore, such “agents”, “potential drugs”, “compounds” and “potential compounds” may be used, as described herein, in drug assays and drug screens and the like.

As used herein a “small organic molecule” is an organic compound, including a peptide [or organic compound complexed with an inorganic compound (e.g., metal)] that has a molecular weight of less than 3 Kilodaltons. Such small organic molecules can be included as agents, etc. as defined above.

As used herein the term “binds to” is meant to include all such specific interactions that result in two or more molecules showing a preference for one another relative to some third molecule. This includes processes such as covalent, ionic, hydrophobic and hydrogen bonding but does not include non-specific associations such as solvent preferences.

As used herein the term “about” signifies that a value is within twenty percent of the indicated value i.e., a peptide containing “about” 20 amino acid residues can contain between 16 and 24 amino acid residues.

General Techniques for Constructing Nucleic Acids That Encode the Bromodomains and Fragments Thereof (Incuding, ZA Loops); and the Bromodomain Binding Partners of the Present Invention.

In accordance with the present invention there may be employed conventional molecular biology, microbiology, and recombinant DNA techniques within the skill of the art. Such techniques are explained fully in the literature. See, e.g., Sambrook and Russell Molecular Cloning: A Laboratory Manual, Third Edition (2001) Vols. I-E, Cold Spring Harbor Laboratory Press, Cold Spring Harbor, N.Y. (herein “Sambrook and Russell, 2001”), Sambrook, Fritsch & Maniatis, Molecular Cloning: A Laboratory Manual, Second Edition (1989) Cold Spring Harbor Laboratory Press, Cold Spring Harbor, N.Y. (herein “Sambrook et al., 1989”); DNA Cloning: A Practical Approach, Volumes I and II (D. N. Glover ed. 1985); Oligonucleotide Synthesis (M. J. Gait ed. 1984); Nucleic Acid Hybridization [B. D. Hames & S. J. Higgins eds. (1985)]; Transcription And Translation [B. D. Hames & S. J. Higgins, eds. (1984)]; Animal Cell Culture [R. I. Freshney, ed. (1986)]; Immobilized Cells And Enzymes [IRE Press, (1986)]; B. Perbal, A Practical Guide To Molecular Cloning (1984); F. M. Ausubel et al. (eds.), Current Protocols in Molecular Biology, John Wiley & Sons, Inc. (1994).

Therefore, if appearing herein, the following terms shall have the definitions set out below.

As used herein, the term “gene” refers to an assembly of nucleotides that encode a polypeptide, and includes cDNA and genomic DNA nucleic acids.

A “vector” is a replicon, such as plasmid, phage or cosmid, to which another DNA segment may be attached so as to bring about the replication of the attached segment. A “replicon” is any genetic element (e.g., plasmid, chromosome, virus) that functions as an autonomous unit of DNA replication in vivo, i.e., capable of replication under its own control.

A “cassette” refers to a segment of DNA that can be inserted into a vector at specific restriction sites. The segment of DNA encodes a polypeptide of interest, and the cassette and restriction sites are designed to ensure insertion of the cassette in the proper reading frame for transcription and translation.

A cell has been “transfected” by exogenous or heterologous DNA when such DNA has been introduced inside the cell.

A “nucleic acid molecule” refers to the phosphate ester polymeric form of ribonucleosides (adenosine, guanosine, uridine or cytidine; “RNA molecules”) or deoxyribonucleosides (deoxyadenosine, deoxyguanosine, deoxythymidine, or deoxycytidine; “DNA molecules”), or any phosphoester analogues thereof, such as phosphorothioates and thioesters, in either single stranded form, or a double-stranded helix. Double stranded DNA-DNA, DNA-RNA and RNA-RNA helices are possible. The term nucleic acid molecule, and in particular DNA or RNA molecule, refers only to the primary and secondary structure of the molecule, and does not limit it to any particular tertiary forms. Thus, this term includes double-stranded DNA found, inter alia, in linear or circular DNA molecules (e.g., restriction fragments), plasmids, and chromosomes. In discussing the structure of particular double-stranded DNA molecules, sequences may be described herein according to the normal convention of giving only the sequence in the 5′ to 3′ direction along the nontranscribed strand of DNA (i.e., the strand having a sequence homologous to the mRNA). A “recombinant DNA molecule” is a DNA molecule that has undergone a molecular biological manipulation.

A nucleic acid molecule is “hybridizable” to another nucleic acid molecule, such as a cDNA, genomic DNA, or RNA, when a single stranded form of the nucleic acid molecule can anneal to the other nucleic acid molecule under the appropriate conditions of temperature and solution ionic strength [see Sambrook et al., 1989 supra, Sambrook and Russell, 2001]. The conditions of temperature and ionic strength determine the “stringency” of the hybridization. For preliminary screening for homologous nucleic acids, low stringency hybridization conditions, corresponding to a T_mof 55°, can be used, e.g., 5×SSC, 0.1% SDS, 0.25% milk, and no formamide; or 30% formamide, 5×SSC, 0.5% SDS). Moderate stringency hybridization conditions correspond to a higher T_m, e.g., 40% formamide, with 5×or 6×SCC. High stringency hybridization conditions correspond to the highest T_m, e.g., 50% formamide, 5× or 6×SCC. Hybridization requires that the two nucleic acids contain complementary sequences, although depending on the stringency of the hybridization, mismatches between bases are possible. The appropriate stringency for hybridizing nucleic acids depends on the length of the nucleic acids and the degree of complementation, variables well known in the art. The greater the degree of similarity or homology between two nucleotide sequences, the greater the value of T_mfor hybrids of nucleic acids having those sequences. The relative stability (corresponding to higher T_m) of nucleic acid hybridizations decreases in the following order: RNA:RNA, DNA:RNA, DNA:DNA. For hybrids of greater than 100 nucleotides in length, equations for calculating T_mhave been derived [see Sambrook et al., 1989 supra, 9.50-10.51, Sambrook and Russell, 2001]. For hybridization with shorter nucleic acids, i.e., oligonucleotides, the position of mismatches becomes more important, and the length of the oligonucleotide determines its specificity [see Sambrook et al., 1989 supra, 11.7-11.8, Sambrook and Russell, 2001]. Preferably a minimum length for a hybridizable nucleic acid is at least about 12 nucleotides; preferably at least about 18 nucleotides; and more preferably the length is at least about 27 nucleotides; and most preferably 36 nucleotides.

In a specific embodiment, the term “standard hybridization conditions” refers to a T_mof 55° C., and utilizes conditions as set forth above. In a preferred embodiment, the T_mis 60° C.; in a more preferred embodiment, the T_mis 65° C.

A DNA “coding sequence” is a double-stranded DNA sequence which is transcribed and translated into a polypeptide in a cell in vitro or in vivo when placed under the control of appropriate regulatory sequences. The boundaries of the coding sequence are determined by a start codon at the 5′ (amino) terminus and a translation stop codon at the 3′ (carboxyl) terminus. A coding sequence can include, but is not limited to, prokaryotic sequences and synthetic DNA sequences. If the coding sequence is intended for expression in a eukaryotic cell, a polyadenylation signal and transcription termination sequence will usually be located 3′ to the coding sequence.

Transcriptional and translational control sequences are DNA regulatory sequences, such as promoters, enhancers, terminators, and the like, that provide for the expression of a coding sequence in a host cell. In eukaryotic cells, polyadenylation signals are control sequences.

A “promoter sequence” is a DNA regulatory region capable of binding RNA polymerase in a cell and initiating transcription of a downstream (3′ direction) coding sequence. For purposes of defining the present invention, the promoter sequence is bounded at its 3′ terminus by the transcription initiation site and extends upstream (5′ direction) to include the minimum number of bases or elements necessary to initiate transcription at levels detectable above background. Within the promoter sequence will be found a transcription initiation site (conveniently defined for example, by mapping with nuclease S1), as well as protein binding domains (consensus sequences) responsible for the binding of RNA polymerase.

A coding sequence is “under the control” of transcriptional and translational control sequences in a cell when RNA polymerase transcribes the coding sequence into mRNA, which is then trans-RNA spliced and translated into the protein encoded by the coding sequence.

A DNA sequence is “operatively linked” to an expression control sequence when the expression control sequence controls and regulates the transcription and translation of that DNA sequence. The term “operatively linked” includes having an appropriate start signal (e.g., ATG) in front of the DNA sequence to be expressed and maintaining the correct reading frame to permit expression of the DNA sequence under the control of the expression control sequence and production of the desired product encoded by the DNA sequence. If a gene that one desires to insert into a recombinant DNA molecule does not contain an appropriate start signal, such a start signal can be inserted in front of the gene.

As used herein, the term “homologous” in all its grammatical forms refers to the relationship between proteins that possess a “common evolutionary origin,” including proteins from superfamilies (e.g., the immunoglobulin superfamily) and homologous proteins from different species (e.g., myosin light chain, etc.) [Reeck et al., Cell, 50:667 (1987)]. Such proteins have sequence homology as reflected by their high degree of sequence similarity.

Accordingly, the term “sequence similarity” in all its grammatical forms refers to the degree of identity or correspondence between nucleic acid or amino acid sequences of proteins that may or may not share a common evolutionary origin (see Reeck et al., supra). However, in common usage and in the instant application, the term “homologous,” when modified with an adverb such as “highly,” may refer to sequence similarity and not a common evolutionary origin.

Two DNA sequences are “substantially homologous” when at least about 60% (preferably at least about 80%, and most preferably at least about 90 or 95%) of the nucleotides match over the defined length of the DNA sequences. Sequences that are substantially homologous can be identified by comparing the sequences using standard software available in sequence data banks, or in a Southern hybridization experiment under, for example, stringent conditions as defined for that particular system. Defining appropriate hybridization conditions is within the skill of the art [See, e.g., Sambrook et al., 1989 supra; DNA Cloning, Vols. I & II, supra; Nucleic Acid Hybridization, supra., and Sambrook and Russell, 2001]

As used herein an amino acid sequence is 100% “homologous” to a second amino acid sequence if the two amino acid sequences are identical, and/or differ only by neutral or conservative substitutions as defined below. Accordingly, an amino acid sequence is 50% “homologous” to a second amino acid sequence if 50% of the two amino acid sequences are identical, and/or differ only by neutral or conservative substitutions.

As used herein, DNA and protein sequence percent identity can be determined using MacVector 6.0.1, Oxford Molecular Group PLC (1996) and the Clustal W algorithm with the alignment default parameters, and default parameters for identity. These commercially available programs can also be used to determine sequence similarity using the same or analogous default parameters.

The term “corresponding to” is used herein to refer similar or homologous sequences, whether the exact position is identical or different from the molecule to which the similarity or homology is measured. Thus, the term “corresponding to” refers to the sequence similarity, and not the numbering of the amino acid residues or nucleotide bases.

As used herein a “heterologous nucleotide sequence” is a nucleotide sequence that is added to a nucleotide sequence of the present invention by recombinant methods to form a nucleic acid which is not naturally formed in nature. Such nucleic acids can encode fusion proteins or peptides, including chimeric proteins and peptides. Thus the heterologous nucleotide sequence can encode peptides and/or proteins which contain regulatory and/or structural properties. In another such embodiment the heterologous nucleotide can encode a protein or peptide that functions as a means of detecting the protein or peptide encoded by the nucleotide sequence of the present invention after the recombinant nucleic acid is expressed. In still another such embodiment the heterologous nucleotide can function as a means of detecting a nucleotide sequence of the present invention. A heterologous nucleotide sequence can comprise non-coding sequences including restriction sites, regulatory sites, promoters and the like.

The present invention also relates to cloning vectors containing nucleic acids encoding analogs and derivatives of the bromodomains of the present invention and polypeptides/peptides that can bind a bromodomain when a lysine of the polypeptide/peptide is acetylated, including modified fragments, that have the same or homologous functional activity as the individual fragments, and homologs thereof. The production and use of derivatives and analogs related to the fragments are within the scope of the present invention.

Due to the degeneracy of nucleotide coding sequences, other DNA sequences which encode substantially the same amino acid sequence as a nucleic acid encoding a protein comprising bromodomain or bromodomain binding partner (i.e., when post-transcriptionally acetylated) of the present invention for example, may be used in the practice of the present invention. These include but are not limited to allelic genes, homologous genes from other species, which are altered by the substitution of different codons that encode the same amino acid residue within the sequence, thus producing a silent change. Likewise, the peptides and polypeptides of the present invention include, but are not limited to, those containing, as a primary amino acid sequence, analogous portions of their respective amino acid sequences including altered sequences in which functionally equivalent amino acid residues are substituted for residues within the sequence resulting in a conservative amino acid substitution. For example, one or more amino acid residues within the sequence can be substituted by another amino acid of a similar polarity, which acts as a functional equivalent, resulting in a silent alteration. Substitutes for an amino acid within the sequence may be selected from other members of the class to which the amino acid belongs. For example, the nonpolar (hydrophobic) amino acids include alanine, leucine, isoleucine, valine, proline, phenylalanine, tryptophan and methionine. Amino acids containing aromatic ring structures are phenylalanine, tryptophan, and tyrosine. The polar neutral amino acids include glycine, serine, threonine, cysteine, tyrosine, asparagine, and glutamine. The positively charged (basic) amino acids include arginine, and lysine. The negatively charged (acidic) amino acids include aspartic acid and glutamic acid.

Particularly preferred conserved amino acid exchanges are:

(a) Lys for Arg or vice versa such that a positive charge may be maintained;
(b) Glu for Asp or vice versa such that a negative charge may be maintained;
(c) Ser for Thr or vice versa such that a free —OH can be maintained;
(d) Gln for Asn or vice versa such that a free NH₂can be maintained;
(e) Ile for Leu or for Val or vice versa as roughly equivalent hydrophobic amino acids; and
(f) Phe for Tyr or vice versa as roughly equivalent aromatic amino acids.

A conservative change generally leads to less change in the structure and function of the resulting protein. A non-conservative change is more likely to alter the structure, activity or function of the resulting protein. The present invention should be considered to include sequences containing conservative changes which do not significantly alter the activity or binding characteristics of the resulting protein. Specific amino acid residues for the P/CAF bromodomain have been identified that are important for binding, indicating a potential lower stringency for the substitution of the remaining amino acids residues.

All of the peptides/fragments of the present invention can be modified by being placed in a fusion or chimeric peptide or protein, or labeled e.g., to have an N-terminal FLAG-tag, or H6 (SEQ ID NO: 61) tag. In a particular embodiment the P/CAF bromodomain fragment can be modified to contain a marker protein such as green fluorescent protein as described in U.S. Pat. No. 5,625,048 filed Apr. 29, 1997 and WO 97/26333, published Jul. 24, 1997 each of which are hereby incorporated by reference herein in their entireties.

The nucleic acids encoding peptides and protein fragments of the present invention and analogs thereof can be produced by various methods known in the art. The manipulations which result in their production can occur at the gene or protein level [Sambrook et al., 1989, supra; Sambrook and Russell, 2001, supra]. The nucleotide sequence can be cleaved at appropriate sites with restriction endonuclease(s), followed by further enzymatic modification if desired, isolated, and ligated in vitro. In addition a nucleic acid sequence can be mutated in vitro or in vivo, to create and/or destroy translation, initiation, and/or termination sequences, or to create variations in coding regions and/or form new restriction endonuclease sites or destroy preexisting ones, to facilitate further in vitro modification. Any technique for mutagenesis known in the art can be used, including but not limited to, in vitro site-directed mutagenesis [Hutchinson et al., J. Biol. Chem., 253:6551 (1978); Zoller and Smith, DNA, 3:479-488 (1984); Oliphant et al., Gene, 44:177 (1986); Hutchinson et al., Proc. Natl. Acad. Sci. U.S.A., 83:710 (1986)], use of TAB® linkers (Pharmacia), etc. PCR techniques are preferred for site directed mutagenesis [see Higuchi, “Using PCR to Engineer DNA”, in PCR Technology: Principles and Applications for DNA Amplification, H. Erlich, ed., Stockton Press, Chapter 6, pp. 61-70 (1989)].

The identified and isolated nucleic acids can then be inserted into an appropriate cloning vector. A large number of vector-host systems known in the art may be used.

Protein Expression and Purification

A bacterial protein expression system can be used to make various stable isotopically labeled (¹³C, ¹⁵N, and ²H) protein samples that are useful for a three-dimensional NMR structural determination of a protein complex. For example a pET14b (Novagen) bacterial expression vector can be constructed which expresses the recombinant P/CAF bromodomain as an amino-terminal His-tagged fusion protein.

Protein expression and purification can be conducted using standard procedures for His-tagged proteins [Zhou et al., J. Biol. Chem. 270:31119-31123 (1995)]. To optimize the level of protein expression, various bacterial growth and expression conditions can be screened, which include different E. Coli cell lines, and growth and protein induction temperatures. Generally, it is preferred to obtain the maximum amount of soluble protein while still inducing protein expression with a relatively low IPTG concentration e.g., ˜0.2 mM (final concentration) at 16° C. As exemplified below, the bromodomain of P/CAF (residues 719-832 of SEQ ID NO:2 which is SEQ ID NO:7) was subcloned into the pET14b expression vector (Novagen) and expressed in Escherichia coli BL21(DE3) cells. Uniformly ¹⁵N- and ¹⁵N/¹³C-labeled proteins were prepared by growing bacteria in a minimal medium containing ¹⁵NH₄Cl with or without ¹³C₆-glucose. A uniformly ¹⁵N/¹³C-labeled and fractionally deuterated protein sample was prepared by growing the cells in 75% ²H₂O. The bromodomain was purified by affinity chromatography on a nickel-IDA column (Invitrogen) followed by the removal of poly-His tag by thrombin cleavage. The final purification of the protein was achieved by size-exclusion chromatography. The acetyl-lysine-containing peptides were prepared on a MilliGen 9050 peptide synthesizer (Perkin Elmer) using Fmoc/HBTU chemistry. Acetyl-lysine was incorporated using the reagent Fmoc-Ac-Lys with HBTU/DIPEA activation. NMR samples contained approximately 1 mM protein in 100 mM phosphate buffer of pH 6.5 and 5 mM perdeuterated DTT and 0.5 mM EDTA in H₂O/²H₂O (9/1) or ²H₂O.

One major advantage of using the heteronuclear multidimensional approach, as exemplied herein, is that the NMR resonance assignments of a protein are obtained in a sequence-specific manner which assures accuracy and greatly facilitates data analysis and structure determination [Clore and Gronenborn Meth. Enzymol. 239:249-363 (1994)]. In addition, the signal overlapping problems in the protein spectra are minimized by the use of multidimensional NMR spectra, which separates the proton signals according to the chemical shifts of their attached hetero-nuclei (such as ¹⁵N and ¹³C). This NMR approach has been proven very powerful for structural analysis of large proteins [Clore and Gronenbom Meth. Enzymol. 239:249-363 (1994)]. To facilitate sequence-specific resonance assignments for the structural study, a uniformly ¹³C, ¹⁵N-labeled and fractionally (75%) deuterated protein sample of the bromodomain can be prepared by growing bacterial cells in 75% ²H₂O as exemplified below. Such protein samples can be used for triple-resonance NMR experiments. A triple-labeled protein sample is useful for high-resolution NMR structural studies. Because of the favorable ¹H, ¹³C, and ¹⁵N relaxation rates caused by the partial deuteration of the protein, constant-time triple-resonance NMR spectra can be acquired with higher digital resolution and sensitivity [Sattler, M. & Fesik, S. W. Structure 4:1245-1249 (1996)]. In addition, various stable-isotopically labeled (¹⁵N and ¹³C/¹⁵N) proteins can also be prepared using this procedure.

Synthetic Polypeptides

The term “polypeptide” is used in its broadest sense to refer to a compound of two or more subunit amino acids, amino acid analogs, or peptidomimetics. The subunits are linked by peptide bonds. The terms “polypeptide”, “protein”, and “peptide” are used interchangeably herein, though preferably as used herein a “peptide” refers to a compound of at least two but less than fifty subunit amino acids, and a polypeptide or protein refers to compound of fifty or more amino acids. The polypeptides of the present invention may be chemically synthesized or as detailed above, genetically engineered or isolated from natural sources.

In addition, potential drugs or agents that may be tested in the drug screening assays of the present invention may also be chemically synthesized. When the peptide is to be modified, e.g., acetylated, the modification can be at any time during the peptide synthesis, including using an acetyl-lysine as a starting material or acetylating a lysine residue of a peptide after the peptide has been synthesized. In the Example below, the acetyl-lysine-containing peptides were prepared on a MilliGen 9050 peptide synthesizer (Perkin Elmer) using Fmoc/HITU chemistry. Acetyl-lysine was incorporated using the reagent Fmoc-Ac-Lys with BBTUIDIPEA activation.

Thus, synthetic polypeptides, prepared using the well known techniques of solid phase, liquid phase, or peptide condensation techniques, or any combination thereof, can include natural and unnatural amino acids. Amino acids used for peptide synthesis may be standard Boc (N^α-amino protected N^α-t-butyloxycarbonyl) amino acid resin with the standard deprotecting, neutralization, coupling and wash protocols of the original solid phase procedure of Merrifield [J. Am. Chem. Soc., 85:2149-2154 (1963)], or the base-labile N^α-amino protected 9-fluorenylmethoxycarbonyl (Fmoc) amino acids first described by Carpino and Han [J. Org. Chem., 37:3403-3409 (1972)]. Both Fmoc and Boc N^α-amino protected amino acids can be obtained from Fluka, Bachem, Advanced Chemtech, Sigma, Cambridge Research Biochemical, Bachem, or Peninsula Labs or other chemical companies familiar to those who practice this art. In addition, the method of the invention can be used with other N^α-protecting groups that are familiar to those skilled in this art. Solid phase peptide synthesis may be accomplished by techniques familiar to those in the art and provided, for example, in Stewart and Young [Solid Phase Synthesis, Second Edition, Pierce Chemical Co., Rockford, Ill. (1984)] and Fields and Noble [Int. J. Pept. Protein Res., 35:161-214 (1990)], or using automated synthesizers, such as sold by ABS. Thus, polypeptides of the invention may comprise D-amino acids, a combination of D- and L-amino acids, and various “designer” amino acids (e.g., β-methyl amino acids, Cα-methyl amino acids, and Nα-methyl amino acids, etc.) to convey special properties. Alternative synthetic amino acids that can be used include ornithine for lysine, fluorophenylalanine for phenylalanine, and norleucine for leucine or isoleucine. Other synthetic amino acids include 2-aminoadipic acid, beta-alanine, beta-aminopropionic acid, 2-aminobutyric acid, 4-aminobutyric acid, piperidinic acid, 6-aminocaproic acid, 2-aminoheptanoic acid, 2-aminoisobutyric acid, 3-aminoisobutyric acid, 2-aminopimelic acid, 2,4 diaminobutyric acid, desmosine, 2,2′-diaminopimelic acid, 2,3-diaminopropionic acid, N-ethylglycine, N-ethylasparagine, hydroxylysine, allo-hydroxylysine, 3-hydroxyproline, 4-hydroxyproline, isodesmosine, allo-isoleucine, N-methylglycine, sarcosine, N-methylisoleucine, 6-N-methyllysine, and N-methylvaline. Additionally, by assigning specific amino acids at specific coupling steps, α-helices, β turns, β sheets, γ-turns, and cyclic peptides can be generated.

In a further embodiment, subunits of peptides that confer useful chemical and structural properties will be chosen. For example, peptides comprising D-amino acids will be resistant to L-amino acid-specific proteases in vivo. In addition, the present invention envisions preparing peptides that have more well defined structural properties, and the use of peptidomimetics, and peptidomimetic bonds, such as ester bonds, to prepare peptides with novel properties. In another embodiment, a peptide may be generated that incorporates a reduced peptide bond, i.e., R₁—CH₂—NH—R₂, where R₁and R₂are amino acid residues or sequences. A reduced peptide bond may be introduced as a dipeptide subunit. Such a molecule would be resistant to peptide bond hydrolysis, e.g., protease activity. Such peptides would provide ligands with unique function and activity, such as extended half-lives in vivo due to resistance to metabolic breakdown, or protease activity. Furthermore, it is well known that in certain systems constrained peptides show enhanced functional activity [Hruby, Life Sciences, 31:189-199 (1982); Hruby et al., Biochem J., 268:249-262 (1990)]; the present invention provides a method to produce a constrained peptide that incorporates random sequences at all other positions.

Constrained and cyclic peptides. A constrained, cyclic or rigidized peptide may be prepared synthetically, provided that in at least two positions in the sequence of the peptide an amino acid or amino acid analog is inserted that provides a chemical functional group capable of crosslinking to constrain, cyclise or rigidize the peptide after treatment to form the crosslink. Cyclization will be favored when a turn-inducing amino acid is incorporated. Examples of amino acids capable of crosslinking a peptide are cysteine to form disulfides, aspartic acid to form a lactone or a lactam, and a chelator such as γ-carboxyl-glutamic acid (Gla) (Bachem) to chelate a transition metal and form a cross-link. Protected γ-carboxyl glutamic acid may be prepared by modifying the synthesis described by Zee-Cheng and Olson [Biophys. Biochem. Res. Commun., 94:1128-1132 (1980)]. A peptide in which the peptide sequence comprises at least two amino acids capable of crosslinking may be treated, e.g., by oxidation of cysteine residues to form a disulfide or addition of a metal ion to form a chelate, so as to crosslink the peptide and form a constrained, cyclic or rigidized peptide.

The present invention provides strategies to systematically prepare cross-links. For example, if four cysteine residues are incorporated in the peptide sequence, different protecting groups may be used (Hiskey, in The Peptides: Analysis, Synthesis, Biology, Vol. 3, Gross and Meienhofer, eds., Academic Press: New York, pp. 137-167 (1981); Ponsanti et al., Tetrahedron, 46:8255-8266 (1990)]. The first pair of cysteines may be deprotected and oxidized, then the second set may be deprotected and oxidized. In this way a defined set of disulfide cross-links may be formed. Alternatively, a pair of cysteines and a pair of chelating amino acid analogs may be incorporated so that the cross-links are of a different chemical nature.

Non-classical amino acids that induce conformational constraints. The following non-classical amino acids may be incorporated in the peptide in order to introduce particular conformational motifs: 1,2,3,4-tetrahydroisoquinoline-3-carboxylate [Kazmierski et al., J. Am. Chem. Soc., 113:2275-2283 (1991)]; (2S,3S)-methyl-phenylalanine, (2S,3R)-methyl-phenylalanine, (2R,3S)-methyl-phenylalanine and (2R,3R)-methyl-phenylalanine (Kazinierski and Hruby, Tetrahedron Lett. (1991)]; 2-aminotetrahydronaphthalene-2-carboxylic acid [Landis, Ph.D. Thesis, University of Arizona (1989)]; hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylate [Miyake et al., J. Takeda Res. Labs., 43:53-76 (1989)]; β-carboline (D and L) [Kazmierski, Ph.D. Thesis, University of Arizona (1988)]; HIC (histidine isoquinoline carboxylic acid) [Zechel et al., Int. J. Pep. Protein Res., 43 (1991)]; and HIC (histidine cyclic urea) (Dharanipragada).

The following amino acid analogs and peptidomimetics may be incorporated into a peptide to induce or favor specific secondary structures: LL-Acp (LL-3-amino-2-propenidone-6-carboxylic acid), a β-turn inducing dipeptide analog [Kemp et al., J. Org. Chem., 50:5834-5838 (1985)]; β-sheet inducing analogs [Kemp et al., Tetrahedron Lett., 29:5081-5082 (1988); β-turn inducing analogs [Kemp et al., Tetrahedron Lett., 29:5057-5060 (1988)]; ∝-helix inducing analogs (Kemp et al., Tetrahedron Lett., 29:4935-4938 (1988)]; γ-turn inducing analogs [Kemp et al., J. Org. Chem., 54:109:115 (1989)]; and analogs provided by the following references: Nagai and Sato, Tetrahedron Lett., 26:647-650 (1985); DiMaio et al., J. Chem. Soc. Perkin Trans., p. 1687 (1989); also a Gly-Ala turn analog [Kahn et al., Tetrahedron Lett., 30:2317 (1989)]; amide bond isostere [Jones et al., Tetrahedron Lett., 29:3853-3856 (1988)]; tretrazol [Zabrocki et al., J. Am. Chem. Soc., 110:5875-5880 (1988)]; DTC [Samanen et al., Int. J. Protein Pep. Res., 35:501:509 (1990)]; and analogs taught in Olson et al., J. Am. Chem. Sci., 112:323-333 (1990) and Garvey et al., J. Org. Chem., 56:436 (1990). Conformationally restricted mimetics of beta turns and beta bulges, and peptides containing them, are described in U.S. Pat. No. 5,440,013, issued Aug. 8, 1995 to Kahn.

Structure-Based Mutation Analysis

Protein structural analysis using NMR spectroscopy has several unique advantages. In addition to high-resolution three-dimensional structural information, the chemical shift assignments for the protein obtained in the structural study further provides a map of the entire protein at the atomic level, which can be used for structure-based biochemical analysis of protein-protein interactions. For example, the information generated from the NMR structural analysis can also serve to identify specific amino acid residues in the peptide-binding site for complementary mutagenesis studies. Specific focus can be placed on those residues that display long-range NOEs (particularly the side-chain NOEs in the ¹³C-NOESY data) between the bromoomain and a peptide comprising an acetyl-lysine.

To ensure mutant proteins are valid for functional analysis, it can be determined as to whether a mutation results in any significant perturbation of the overall conformation of the bromodomain, particularly the effects of mutation on the acetyl-lysine binding sites. NMR spectroscopy is a powerful method for examining the effects of such a mutation on the conformation of the protein. One can readily obtain information about the global conformation of a mutant protein from the proton (¹H) ID spectrum, by examining the chemical shift dispersion and peak line-width of NMR signals of amide, aromatic and aliphatic protons. Moreover, 2D ¹H-¹⁵N HSQC spectra reveal details of the effects of a mutation on both local and global conformation of the protein, since every single ¹H/¹⁵N signal (both the chemical shift and line-shape) in the NMR spectrum is a “reporter” for a particular amino acid residue. Thus, to assess how mutations effect protein stability and the overall protein conformation, the ¹⁵N HSQC spectra of mutated proteins can be compared to that of the wild-type protein bromodomain.

Chemical-shift perturbations due to ligand binding have proven to be a reliable and sensitive probe for the ligand binding site of the protein. This is because the chemical-shift changes of the backbone amide groups are likely to reflect any changes in protein conformation and/or hydrogen bonding due to the peptide/ligand binding. To examine the effects of a mutation on the ligand binding (in this case the ligand is a peptide comprising an acetyl-lysine), peptide titration experiments can be conducted by following the changes of ¹H/¹⁵N signals of the mutant proteins as a function of the peptide concentration. These experiments indicate whether the acetyl-lysine binding site remains the same or changes in the mutants relative to the wild type protein. The effects of the mutation on the peptide binding affinity can also be examined by NMR spectroscopy. If the mutated proteins result in the reduction of the binding affinity, a change of the exchange phenomenon between the free and the ligand-bound signals should be observed in NMR spectrum. If the reduction in binding affinity causes the peptide binding to change from a slow exchange rate to a fast exchange rate, on the NMR time scale, then the peptide binding affinity can be determined from the NMR titration experiment. From these mutation analyses key amino acid residues that are important for binding a peptide comprising the acetyl-lysine can be identified. Such analysis has been exemplified below.

Protein Structure Determination by NMR Spectroscopy

The NMR results from the present invention are summarized by the atomic structure coordinates of the free form of the P/CAF bromodomain (Table 5), of the P/CAF bromodomain-acetyl-histamine complex (Table 6), and the Tat-P/CAF complex (Table 10). The NMR chemical shift assignments of the P/CAF bromodomain are included in the chemical shift table (Table 1) for the ¹H-¹⁵N HSQC spectrum of P/CAF bromodomain. The unambiguous NOE-derived Inter-proton Distance Restraints for the P/CAF bromodomain are in Table 2, the ambiguous NOE-derived Inter-proton Distance Restraints are in Table 3, and the ¹H bonding restraints are disclosed in Table 4. The NMR chemical shift assignments of the Tat-P/CAF complex are included in the chemical shift table (Table 11) for the ¹H-15N HSQC spectrum of Tat-P/CAF complex The unambiguous NOE-derived Inter-proton Distance Restraints for the Tat-P/CAF complex are in Table 13, the ambiguous NOE-derived Inter-proton Distance Restraints are in Table 14, and the ¹H bonding restraints are disclosed in Table 12.

Backbone and Side-chain Assignments: Sequence-specific backbone assignment can be achieved by using a suite of deuterium-decoupled triple-resonance 3D NMR experiments which include UNCA, HN(CO)CA, HN(CA)CB, HN(COCA)CB, HNCO, and HN(CA)CO experiments [Yamazaki, et al., J. Am. Chem. Soc. 116:11655-11666 (1994)]. The water flip-back scheme is used in these NMR pulse programs to minimize amide signal attenuation from water exchange. Sequential side-chain assignments are typically accomplished from a series of 3D NMR experiments with alternative approaches to confirm the assignments. These experiments include 3D ¹⁵N TOCSY-HSQC, HCCH-TOCSY, (H)C(CO)NH-TOCSY, and H(C)(CO)NH-TOCSY [see Clore and Gronenborn Meth. Enzymol. 239:249-363 (1994); Sattler et al., Prog. in Nuclear Magnetic Resonance Spec. 4:93-158 (1999)].

Stereospecific Methyl Groups: Stereospecific assignments of methyl groups of Valine and Leucine residues can be obtained from an analysis of carbon signal multiplet splitting using a fractionally ¹³C-labeled protein sample, which can be readily prepared using M9 minimal medium containing 10% ¹³C-/90%¹²C-glucose mixture [see Neri, et al., Biochemistry 28:7510-7516 (1989)].

Dihedral Angle Restraints: Backbone dihedral angle (Φ) constraints can be generated from the ³J_HNHα coupling constants measured in a HNHA-J experiment [see Vuister, G. & Bax, A. J. Am. Chem. Soc. 115:7772-7777 (1993)]. Side-chain dihedral angles (_χ1) can be obtained from short mixing time ¹⁵N-edited 3D TOCSY-HSQC [see Clore, et al., J, Biomol. NMR 1:13-22 (1991)] and 3D HNH experiments [see Matson et al., J. Biomol. NMR 3:239-244 (1993)], which can also provide stereospecific assignments of β methylene protons.

Hydrogen Bonds Restraints: Amide protons that are involved in hydrogen bonds can be identified from an analysis of amide exchange rates measured from a series of 2D ¹H/¹⁵N HSQC spectra recorded after adding ²H₂O to the protein sample.

NOE Distance Restraints: Distance restraints are obtained from analysis of ¹⁵N, and ¹³C-edited 3D NOESY data, which can be collected with different mixing times to 30 minimize spin diffusion problems. The nuclear Overhauser effect (NOE)-derived restraints are categorized as strong (1.8-3 Å), medium (1.8-4 Å) or weak (1.8-5 Å) based on the observed NOE intensities. A recently developed procedure for the iterative automated NOE analysis by using ARIA [see Nilges et al., Prog. NMR Spectroscopy 32:107-139 (1998)] can be employed which integrates with X-PLOR [Brunger, X-PLOR Version 3.1: A system for X-Ray crystallography and NMR, Yale University Press, New Haven, Conn., (1993)] for structural calculations. To ensure the success of ARIA/X-PLOR-assisted NOE analysis and structure calculations, the ARIA assigned NOE peaks can be manually confirmed.

Intermolecular NOE Distance Restrains: For the structural determination of a protein/peptide complex, intermolecular NOE distance restraints can be obtained from a ¹³C-edited (F,) and ¹⁵N, and ¹³C-filtered (F₃) 3D NOESY data set collected for a sample containing isotope-labeled protein and non-labeled peptide.

Structure Calculations and Refinements: Structures of the protein can be generated using a distance geometry/simulated annealing protocol with the X-PLOR program [see Nilges,et al., FEBS Lett. 229:317-324 (1988); Kuszewski, et al., J. Biolmol. NMR 2:33-56 (1992); Brtinger, A. T. X-PLOR Version 3.1: A system for X-Ray crystallography and NMR (Yale University Press, New Haven, Conn., 1993)]. The structure calculations can employ inter-proton distance restraints obtained from ¹⁵N- and ¹³C-resolved NOESY spectra. The initial low-resolution structures can be used to facilitate NOE assignments, and help identify hydrogen bonding partners for slowly exchanging amide protons. The experimental restraints of dihedral angles and hydrogen bonds can be included in the distance restraints for structure refinements.

Protein-Structure Based Design of Agonists and Antagonists of the Bromodomain-Acetyl-Lysine Binding Complex

Once the three-dimensional structure of the Bromodomain and the Bromodomain-acetyl-lysine binding complex are determined, a potential drug or agent (antagonist or agonist) can be examined through the use of computer modeling using a docking program such as GRAM, DOCK, or AUTODOCK [Dunbrack et al., 1997, supra]. This procedure can include computer fitting of potential agents to the bromodomain, for example, to ascertain how well the shape and the chemical structure of the potential ligand will complement or interfere with the interaction between the bromodomain and the acetyl-lysine [Bugg et al., Scientific American, December:92-98 (1993); West et al., TIPS, 16:67-74 (1995)]. Computer programs can also be employed to estimate the attraction, repulsion, and steric hindrance of the agent to the dimer-dimer binding site, for example. Generally the tighter the fit (e.g., the lower the steric hindrance, and/or the greater the attractive force) the more potent the potential drug will be since these properties are consistent with a tighter binding constant. Furthermore, the more specificity in the design of a potential drug the more likely that the drug will not interfere with related proteins. This will minimize potential side-effects due to unwanted interactions with other proteins.

Initially a potential drug could be obtained by screening a random peptide library produced by recombinant bacteriophage for example, [Scott and Smith, Science, 249:386-390 (1990); Cwirla et al., Proc. Natl. Acad. Sci., 87:6378-6382 (1990); Devlin et al., Science, 249:404-406 (1990)] or a chemical library. In particular, based on the NMR structural analysis provided herein, compounds that comprise an “acetyl-amine-like” structure as depicted in FIG. 12 are particularly good candidates. Examples of such “acetyl-lysine analogs” are included in Tabel 15-1 to 15-33.

An agent selected in this manner could be then be systematically modified (if necessary) by computer modeling programs until one or more promising potential drugs are identified. Such analysis has been shown to be effective in the development of HIV protease inhibitors [Lam et al., Science 263:380-384 (1994); Wlodawer et al., Ann. Rev. Biochem. 62:543-585 (1993); Appelt, Perspectives in Drug Discovery and Design 1:23-48 (1993); Erickson, Perspectives in Drug Discovery and Design 1:109-128 (1993)].

Such computer modeling allows the selection of a finite number of rational chemical modifications, as opposed to the countless number of essentially random chemical modifications that could be made, any one of which might lead to a useful drug. Each chemical modification requires additional chemical steps, which while being reasonable for the synthesis of a finite number of compounds, quickly becomes overwhelming if all possible modifications needed to be synthesized. Thus, through the use of the three-dimensional structural analysis disclosed herein and computer modeling, a large number of these compounds can be rapidly screened on the computer monitor screen, and a few likely candidates can be determined without the laborious synthesis of untold numbers of compounds.

Once a potential drug (agonist or antagonist) is identified it can be either selected from a library of chemicals as are commercially available from most large chemical companies including Merck, GlaxoWelcome, Bristol Meyers Squib, Monsanto/Searle, Eli Lilly, Novartis and Pharmacia UpJohn, or alternatively the potential drug may be synthesized de novo. As mentioned above, the de novo synthesis of one or even a relatively small group of specific compounds is reasonable in the art of drug design.

The potential drug can then be tested in any standard binding assay (including in high throughput binding assays) for its ability to bind to the ZA loop of a bromodomain. Alternatively the potential drug can be tested for its ability to modulate the binding of a bromodomain to acetylated histamine, for example. When a suitable potential drug is identified, a second NMR structural analysis can optionally be performed on the binding complex formed between the bromodomain-acetyl-lysine binding complex, or the bromodomain alone and the potential drug. Computer programs that can be used to aid in solving such three-dimensional structures include QUANTA, CHARMM, INSIGHT, SYBYL, MACROMODE, and ICM, MOLMOL, RASMOL, AND GRASP [Kraulis, J. Appl Crystallogr. 24:946-950 (1991)]. Most if not all of these programs and others as well can be also obtained from the WorldWideWeb through the internet.

Using the approach described herein and equipped with the structural analysis disclosed herein, the three-dimensional structures of other bromodomain-acetyl-lysine binding complexes can more readily be obtained and analyzed. Such analysis will, in turn, allow corresponding drug screening methodology to be performed using the three-dimensional structures of such related complexes.

For all of the drug screening assays described herein further refinements to the structure of the drug will generally be necessary and can be made by the successive iterations of any and/or all of the steps provided by the particular drug screening assay, including further structural analysis by NMR, for example.

Phage libraries for Drug Screening: Phage libraries have been constructed which when infected into host E. coli produce random peptide sequences of approximately 10 to 15 amino acids [Parmnley and Smith, Gene 73:305-318 (1988), Scott and Smith, Science 249:386-249 (1990)]. Specifically, the phage library can be mixed in low dilutions with permissive E. coli in low melting point LB agar which is then poured on top of LB agar plates. After incubating the plates at 37° C. for a period of time, small clear plaques in a lawn of E. coli will form which represents active phage growth and lysis of the E. coli. A representative of these phages can be absorbed to nylon filters by placing dry filters onto the agar plates. The filters can be marked for orientation, removed, and placed in washing solutions to block any remaining absorbent sites. The filters can then be placed in a solution containing, for example, a radioactive bromodomain. After a specified incubation period, the filters can be thoroughly washed and developed for autoradiography. Plaques containing the phage that bind to the radioactive bromodomain can then be identified. These phages can be further cloned and then retested for their ability to bind to the bromodomain as before. Once the phage has been purified, the binding sequence contained within the phage can be determined by standard DNA sequencing techniques. Once the DNA sequence is known, synthetic peptides can be generated which are encoded by these sequences. These peptides can be tested, for example, for their ability to modulate the affinity of the bromodomain for its binding partner (e.g., Tat or a fragment of Tat containing the acetyl-lysine corresponding to position 50 of SEQ ID NO:45).

The effective peptide(s) can be synthesized in large quantities for use in in vivo models and eventually in humans to treat certain tumors. It should be emphasized that synthetic peptide production is relatively non-labor intensive, easily manufactured, quality controlled and thus, large quantities of the desired product can be produced quite cheaply. Similar combinations of mass produced synthetic peptides have been used with great success [Patarroyo, Vaccine, 10:175-178 (1990)].

Drug Screening Assays

The drug screening assays of the present invention may use any of a number of means for determining the interaction between an agent/drug (e.g., an acetyl-lysine analog) and a peptide comprising an acetyl-lysine and/or a bromodomain. Thus, standard high throughput drug screening procedures can be employed using a library of low molecular weight compounds, for example that can be screened to identify a binding partner for the bromodoamin. Any such chemical library can be used including those discussed above.

In a particular assay, a bromodomain (e.g., from P/CAF) is placed on or coated onto a solid support. Methods for placing the peptides or proteins on the solid support are well known in the art and include such things as linking biotin to the protein and linking avidin to the solid support. An agent is allowed to equilibrate with the bromodomain to test for binding. Generally, the solid support is washed and agents that are retained are selected as potential drugs. Alternatively, a peptide comprising an acetyl-lysine is placed on or coated onto a solid support. In a particular embodiment of this type, the peptide comprises the amino acid sequence of SEQ ID NO:4. In a preferred embodiment, the peptide comprises the amino acid sequence of SEQ ID NO:46.

The agent may be labeled. For example, in one embodiment radiolabeled agents are used to measure the binding of the agent. In another embodiment the agents have fluorescent markers. In yet another embodiment, a Biocore chip (Pharmacia) coated with the bromodomain is used, for example and the change in surface conductivity can be measured.

In addition, since a number of proteins have been identified that contain bromodomains, and the binding partners of many of these proteins are known, the fact that the bromodomain specifically binds to an acetylated lysine as disclosed herein allows the identification and preparation of a number of potential modulators of the bromodomain-acetyl-lysine binding complex based on the amino acid sequences of the binding partners to the proteins. Such potential modulators include: ISYGR-AcK-KRRQRR (SEQ ID NO:4), ARKSTGG-AcK-APRKQL (SEQ ID NO:5) and QSTSRHK-AcK-LMFKTE (SEQ ID NO:6) which bind to the P/CAF bromodomain as shown in the Example, below. Such peptides also can be used, for example, as a starting point for the design of an inhibitor of the bromodomain-acetyl-lysine binding complex.

Alternatively, a drug can be specifically designed to bind to the ZA loop of a bromodomain for example, such as the P/CAF bromodomain, and be assayed through NMR based methodology [Shuker et al., Science 274:1531-1534 (1996) hereby incorporated by reference in its entirety.] In a particular embodiment, analogs of the binding partner of the bromodomain can be used in this analysis. One such peptide has the amino acid sequence of SEQ D NO:4. In another embodiment of this type, the peptide has the amino acid sequence of SEQ ID NO:5. In another such embodiment of this type, the peptide has the amino acid sequence of SEQ ID NO:6.

The assay begins with contacting a compound with a ¹⁵N-labeled bromodomain. Binding of the compound with the ZA loop of the bromodomain can be determined by monitoring the ¹⁵N- or ¹H-amide chemical shift changes in two dimensional ¹⁵N-heteronuclear single-quantum correlation (15N-HSQC) spectra upon the addition of the compound to the ¹⁵N-labeled bromodomain. Since these spectra can be rapidly obtained, it is feasible to screen a large number of compounds [Shuker et al., Science 274:1531-1534 (1996)]. A compound is identified as a potential ligand if it binds to the ZA loop of the bromodomain. In a further embodiment, the potential ligand can then be used as a model structure, and analogs to the compound can be obtained (e.g, from the vast chemical libraries commercially available, or alternatively through de novo synthesis). The analogs are then screened for their ability to bind the ZA loop of the bromodomain thus to obtain a ligand. An analog of the potential ligand is chosen as a ligand when it binds to the ZA loop of the bromodomain with a higher binding affinity than the potential ligand. In a preferred embodiment of this type the analogs are screened by monitoring the ¹⁵N- or ¹H-amide chemical shift changes in two dimensional ¹⁵N-heteronuclear single-quantum correlation (¹⁵N-HSQC) spectra upon the addition of the analog to the ¹⁵N-labeled bromodomain as described above.

In another further embodiment, compounds are screened for binding to two nearby sites on the bromodomain. In this case, a compound that binds a first site of the bromodomain does not bind a second nearby site. Binding to the second site can be determined by monitoring changes in a different set of amide chemical shifts in either the original screen or a second screen conducted in the presence of a ligand (or potential ligand) for the first site. From an analysis of the chemical shift changes the approximate location of a potential ligand for the second site is identified. Optimization of the second ligand for binding to the site is then carried out by screening structurally related compounds (e.g., analogs as described above). When ligands for the first site and the second site are identified, their location and orientation in the ternary complex can be determined experimentally either by NMR spectroscopy or X-ray crystallography. On the basis of this structural information, a linked compound is synthesized in which the ligand for the first site and the ligand for the second site are linked. In a preferred embodiment of this type the two ligands are covalently linked. This linked compound is tested to determine if it has a higher binding affinity for the bromodomain than either of the two individual ligands. A linked compound is selected as a ligand when it has a higher binding affinity for the bromodomain than either of the two ligands. In a preferred embodiment the affinity of the linked compound with the bromodomain is determined monitoring the ¹⁵N- or ¹H-amide chemical shift changes in two dimensional ¹⁵N-heteronuclear single-quantum correlation (15N-HSQC) spectra upon the addition of the linked compound to the ¹⁵N-labeled bromodomain as described above.

A larger linked compound can be constructed in an analogous manner, e.g., linking three ligands which bind to three nearby sites on the bromodomain to form a multilinked compound that has an even higher affinity for the bromodomain than the linked compound.

Identification of New Bromodomains

By disclosing that protein bound acetyl-lysine is a binding partner for bromodomains, the present invention provides a method of identifying novel proteins that contain bromodomains. In short, a protein fragment or analog thereof comprising an acetyl-lysine or an acetyl-lysine analog can be used as bait to identify a binding partner that comprises a bromodomain. Any one of a number of procedures can be carried out to identify such a binding partner. One such assay comprises passing a cell extract over the bait peptide which is attached to a solid support. After washing the solid support to remove any non-specific binders, the bromodomain containing protein can be eluted from the solid support with an appropriate eluant. In a particular embodiment, the free bait peptide can be used in the elution. Other methodology includes the use of a yeast two-hybrid system, a GST pull down assay, ELISA, immunometric assays, and a modification of the CORT procedure of Schlessinger et al., (U.S. Pat. No. 5,858,686, Issued on Jan. 12, 1999 which is hereby incorporated by reference in its entirety) for use with the bromodomain-acetyl-lysine binding complex.

Labels

Suitable labels include enzymes, fluorophores (e.g., fluorescein isothiocyanate (FITC), phycoerythrin (PE), Texas red (TR), rhodamine, free or chelated lanthamide series salts, especially Eu³⁺, to name a few fluorophores), chromophores, radioisotopes, chelating agents, dyes, colloidal gold, latex particles, ligands (e.g., biotin), and chemiluminescent agents. When a control marker is employed, the same or different labels may be used for the test and control marker gene.

In the instance where a radioactive label, such as the isotopes ³H, ¹⁴C, ³²P, ³⁵S, ³⁶Cl, ⁵¹Cr, ⁵⁷Co, ⁵⁸Co, ⁵⁹Fe, ⁹⁰Y, ¹²⁵I, ¹³¹I, and ¹⁸⁶Re are used, known currently available counting procedures may be utilized. In the instance where the label is an enzyme, detection may be accomplished by any of the presently utilized colorimetric, spectrophotometric, fluorospectrophotometric, amperometric or gasometric techniques known in the art.

Direct labels are one example of labels which can be used according to the present invention. A direct label has been defined as an entity, which in its natural state, is readily visible, either to the naked eye, or with the aid of an optical filter and/or applied stimulation, e.g. U.V. light to promote fluorescence. Among examples of colored labels, which can be used according to the present invention, include metallic sol particles, for example, gold sol particles such as those described by Leuvering (U.S. Pat. No. 4,313,734); dye sole particles such as described by Gribnau et al. (U.S. Pat. No. 4,373,932 and May et al. (WO 88/08534); dyed latex such as described by May, supra, Snyder (EP-A 0 280 559 and 0 281 327); or dyes encapsulated in liposomes as described by Campbell et al. (U.S. Pat. No. 4,703,017). Other direct labels include a radionucleotide, a fluorescent moiety or a luminescent moiety. In addition to these direct labeling devices, indirect labels comprising enzymes can also be used according to the present invention. Various types of enzyme linked immunoassays are well known in the art, for example, alkaline phosphatase and horseradish peroxidase, lysozyme, glucose-6-phosphate dehydrogenase, lactate dehydrogenase, urease, these and others have been discussed in detail by Eva Engvall in Enzyme Immunoassay ELISA and EMIT in Methods in Enzymology, 70:419-439 (1980) and in U.S. Pat. No. 4,857,453.

Suitable enzymes include, but are not limited to, alkaline phosphatase, β-galactosidase, green fluorescent protein and its derivatives, luciferase, and horseradish peroxidase.

Other labels for use in the invention include magnetic beads or magnetic resonance imaging labels.

Three-Dimensional Representation of the Structure of the bromodomains

In addition, the present invention provides a computer that comprises a representation of a bromodomain (or a bromodomain-ligand complex, e.g., the Tat-P/CAF complex) in computer memory that can be used to screen for compounds that will or are likely to inhibit the bromodomain-ligand interaction. In a particular embodiment of the present invention the bromodomain-ligand complex is the Tat-P/CAF complex and the compound identified by the screen can used to prevent, retard the progression, treat and/or cure AIDS.

In a related embodiment, the computer can be used in the design of altered bromodomains that have either enhanced, or alternatively diminished binding activity activity. Preferably, the computer comprises portions of and/or all of the information contained in Tables 1-6 and 10-14. In a particular embodiment, the computer comprises: (i) a machine-readable data storage material encoded with machine-readable data, (ii) a working memory for storing instructions for processing the machine readable data, (iii) a central processing unit coupled to the working memory and the machine-readable data storage material for processing the machine-readable data into a three-dimensional representation, and (iv) a display coupled to the central processing unit for displaying the three-dimensional representation.

Thus the machine-readable data storage medium comprises a data storage material encoded with machine readable data which can comprise portions and/or all of the structural information contained in Tables 1-6 and 10-14. One embodiment for manipulating and displaying the structural data provided by the present invention is schematically depicted in FIG. 11. As depicted, the System 1, includes a computer 2 comprising a central processing unit (“CPU”) 3, a working memory 4 which may be random-access memory or “core” memory, mass storage memory 5 (e.g., one or more disk or CD-ROM drives), a display terminal 6 (e.g., a cathode-ray tube), one or more keyboards 7, one or more input lines 10, and one or more output lines 20, all of which are interconnected by a conventional bidirectional system bus 30.

Input hardware 12, coupled to the computer 2 by input lines 10, may be implemented in a variety of ways. Machine-readable data may be inputted via the use of one or more modems 14 connected by a telephone line or dedicated data line 16. Alternatively or additionally, the input hardware 12 may comprise CD-ROM or disk drives 5. In conjunction with the display terminal 6, the keyboard 7 may also be used as an input device. Output hardware 22, coupled to computer 2 by output lines 20, may similarly be implemented by conventional devices. Output hardware 22 may include a display terminal 6 for displaying the three dimensional data. Output hardware might also include a printer 24, so that a hard copy output may be produced, or a disk drive 5, to store system output for later use, see also U.S. Pat. No. 5,978,740, Issued Nov. 2, 1999, the contents of which are hereby incorporated by reference in their entireties.

In operation, the CPU 3 (i) coordinates the use of the various input and output devices 12 and 22; (ii) coordinates data accesses from mass storage 5 and accesses to and from working memory 4; and (iii) determines the sequence of data processing steps. Any of a number of programs may be used to process the machine-readable data of this invention.

Antibodies to Portions of the Bromodomain that Interact with Acetyl-Lysine

According to the present invention, the bromodomains, and more particularly the ZA loops of the bromodomains and fragments thereof can be produced by a recombinant source, or through chemical synthesis, or through the modification of these peptides and fragments; and derivatives or analogs thereof, including fusion proteins, may be used as an immunogen to generate antibodies that specifically interfere with the formation of the bromodomain-acetyl-lysine binding complex. Similarly, antibodies can be raised against peptides that comprise one or more acetyl-lysine residues which also interfere with the formation of the bromodomain-acetyl-lysine binding complex. Such antibodies include but are not limited to polyclonal, monoclonal, chimeric, single chain, Fab fragments, and a Fab expression library.

Various procedures known in the art may be used for the production of the polyclonal antibodies. For the production of antibody, various host animals can be immunized by injection with the peptide having the amino acid sequence of SEQ ID NO:3, for example, or a derivative (e.g., or fusion protein) thereof, including but not limited to rabbits, mice, rats, sheep, goats, etc. In one embodiment, the peptide can be conjugated to an immunogenic carrier, e.g., bovine serum albumin (BSA) or keyhole limpet hemocyanin (KLH). Various adjuvants may be used to increase the immunological response, depending on the host species, including but not limited to Freund's (complete and incomplete), mineral gels such as aluminum hydroxide, surface active substances such as lysolecithin, pluronic polyols, polyanions, peptides, oil emulsions, keyhole limpet hemocyanins, dinitrophenol, and potentially useful human adjuvants such as BCG (bacille Calmette-Guerin) and Corynebacterium parvum.

For preparation of monoclonal antibodies directed toward the peptides or protein fragments of the present invention, or analog, or derivative thereof, any technique that provides for the production of antibody molecules by continuous cell lines in culture may be used. These include but are not limited to the hybridoma technique originally developed by Kohler and Milstein [Nature, 256:495-497 (1975)], as well as the trioma technique, the human B-cell hybridoma technique [Kozbor et al., Immunology Today, 4:72 (1983); Cote et al., Proc. Natl. Acad. Sci. U.S.A., 80:2026-2030 (1983)], and the EBV-hybridoma technique to produce human monoclonal antibodies [Cole et al., in Monoclonal Antibodies and Cancer Therapy, Alan R. Liss, Inc., pp. 77-96 (1985)]. In an additional embodiment of the invention, monoclonal antibodies can be produced in germ-free animals utilizing technology described in PCT/US90/02545. In fact, according to the invention, techniques developed for the production of “chimeric antibodies” [Morrison et al., J. Bacteriol., 159:870 (1984); Neuberger et al., Nature, 312:604-608 (1984); Takeda et al., Nature, 314:452-454 (1985)] by splicing the genes from a mouse antibody molecule specific for the peptide having the amino acid sequence of SEQ ID NO:3, for example, together with genes from a human antibody molecule of appropriate biological activity can be used; such antibodies are within the scope of this invention. Such human or humanized chimeric antibodies are preferred for use in therapy of human diseases or disorders (described infra), since the human or humanized antibodies are much less likely than xenogenic antibodies to induce an immune response, in particular an allergic response, themselves.

According to the invention, techniques described for the production of single chain antibodies [U.S. Pat. Nos. 5,476,786 and 5,132,405 to Huston; U.S. Pat. No. 4,946,778] can be adapted to produce specific single chain antibodies. An additional embodiment of the invention utilizes the techniques described for the construction of Fab expression libraries [Huse et al., Science, 246:1275-1281(1989)] to allow rapid and easy identification of monoclonal Fab fragments with the desired specificity.

Antibody fragments which contain the idiotype of the antibody molecule can be generated by known techniques. For example, such fragments include but are not limited to: the F(ab′)₂fragment which can be produced by pepsin digestion of the antibody molecule; the Fab′ fragments which can be generated by reducing the disulfide bridges of the F(ab′)₂fragment, and the Fab fragments which can be generated by treating the antibody molecule with papain and a reducing agent.

In the production of antibodies, screening for the desired antibody can be accomplished by techniques known in the art, e.g., radioimmunoassay, ELISA (enzyme-linked immunosorbant assay), “sandwich” immunoassays, immunoradiometric assays, gel diffusion precipitin reactions, immunodiffusion assays, in situ immunoassays (using colloidal gold, enzyme or radioisotope labels, for example), western blots, precipitation reactions, agglutination assays (e.g., gel agglutination assays, hemagglutination assays), complement fixation assays, immunofluorescence assays, protein A assays, and immunoelectrophoresis assays, etc. In one embodiment, antibody binding is detected by detecting a label on the primary antibody. In another embodiment, the primary antibody is detected by detecting binding of a secondary antibody or reagent to the primary antibody. In a further embodiment, the secondary antibody is labeled. Many means are known in the art for detecting binding in an immunoassay and are within the scope of the present invention. For example, to select antibodies which recognize a specific epitope of a ZA loop of a bromodomain, for example, one may assay generated hybridomas for a product which binds to a bromodomain fragment containing such an epitope and choose those which do not cross-react with bromodomain fragments that do not include that epitope.

In a specific embodiment, antibodies that interfere with the formation of the bromodomain-acetyl-lysine complex can be generated. Such antibodies can be tested using the assays described and could potentially be used in anti-cancer therapies.

Administration

According to the invention, the component or components of a therapeutic composition, e.g., an agent of the invention that interferes with the bromodomain-acetyl-lysine binding complex such as the peptide having the amino acid sequence of SEQ ID NOs:4, 5, 6, 46, or 47, or an acetyl-lysine analog as defined by FIG. 12 and exemplified in Table 15-1 to 15-33, and a pharmaceutically acceptable carrier, may be introduced parenterally, transmucosally, e.g., orally, nasally, or rectally, or transdermally. Preferably, administration is parenteral, e.g., via intravenous injection, and also including, but is not limited to, intra-arteriole, intramuscular, intradermal, subcutaneous, intraperitoneal, intraventricular, and intracranial administration.

In a preferred aspect, the agent of the present invention can cross cellular and nuclear membranes, which would allow for intravenous or oral administration. Strategies are available for such crossing, including but not limited to, increasing the hydrophobic nature of a molecule; introducing the molecule as a conjugate to a carrier, such as a ligand to a specific receptor, targeted to a receptor; and the like.

The present invention also provides for conjugating targeting molecules to such an agent. “Targeting molecule” as used herein shall mean a molecule which, when administered in vivo, localizes to desired location(s). In various embodiments, the targeting molecule can be a peptide or protein, antibody, lectin, carbohydrate, or steroid. In one embodiment, the targeting molecule is a peptide ligand of a receptor on the target cell. In a specific embodiment, the targeting molecule is an antibody. Preferably, the targeting molecule is a monoclonal antibody. In one embodiment, to facilitate crosslinking the antibody can be reduced to two heavy and light chain heterodimers, or the F(ab′)₂fragment can be reduced, and crosslinked to the agent via the reduced sulfhydryl. Antibodies for use as targeting molecule are specific for a cell surface antigen.

In another embodiment, the therapeutic compound can be delivered in a vesicle, in particular a liposome [see Langer, Science, 249:1527-1533 (1990); Treat et al., in Liposomes in the Therapy of Infectious Disease and Cancer, Lopez-Berestein and Fidler (eds.), Liss: New York, pp. 353-365 (1989); Lopez-Berestein, ibid., pp. 317-327; see generally ibid.].

In yet another embodiment, the therapeutic compound can be delivered in a controlled release system. For example, the agent may be administered using intravenous infusion, an implantable osmotic pump, a transdermal patch, liposomes, or other modes of administration. In one embodiment, a pump may be used [see Langer, supra; Sefton, CRC Crit. Ref Biomed. Eng., 14:201 (1987); Buchwald et al., Surgery, 88:507 (1980); Saudek et al., N. Engl. J. Med., 321:574 (1989)]. In another embodiment, polymeric materials can be used [see Medical Applications of Controlled Release, Langer and Wise (eds.), CRC Press: Boca Raton, Fla. (1974); Controlled Drug Bioavailability, Drug Product Design and Performance, Smolen and Ball (eds.), Wiley: New York (1984); Ranger and Peppas, J. Macromol. Sci. Rev. Macromol. Chem., 23:61 (1983); see also Levy et al., Science, 228:190 (1985); During et al., Ann. Neurol., 25:351 (1989); Howard et al., J. Neurosurg., 71:105 (1989)]. In yet another embodiment, a controlled release system can be placed in proximity of the therapeutic target, i.e., the bone marrow, thus requiring only a fraction of the systemic dose [see, e.g., Goodson, in Medical Applications of Controlled Release, supra, vol. 2, pp. 115-138 (1984)]. Other controlled release systems are discussed in the review by Langer [Science, 249:1527-1533 (1990)].

Pharmaceutical Compositions. In yet another aspect of the present invention, provided are pharmaceutical compositions of the above. Such pharmaceutical compositions may be for administration for injection, or for oral, pulmonary, nasal or other forms of administration. In general, comprehended by the invention are pharmaceutical compositions comprising effective amounts of a low molecular weight component or components, or derivative products, of the invention together with pharmaceutically acceptable diluents, preservatives, solubilizers, emulsifiers, adjuvants and/or carriers. Such compositions include diluents of various buffer content (e.g., Tris-HCl, acetate, phosphate), pH and ionic strength; additives such as detergents and solubilizing agents (e.g., Tween 80, Polysorbate 80), anti-oxidants (e.g., ascorbic acid, sodium metabisulfite), preservatives (e.g., Thimersol, benzyl alcohol) and bulking substances (e.g., lactose, mannitol); incorporation of the material into particulate preparations of polymeric compounds such as polylactic acid, polyglycolic acid, etc. or into liposomes. Hylauronic acid may also be used. Such compositions may influence the physical state, stability, rate of in vivo release, and rate of in vivo clearance of the present proteins and derivatives. See, e.g., Remington's Pharmaceutical Sciences, 18th Ed. [1990, Mack Publishing Co., Easton, Pa. 18042] pages 1435-1712 which are herein incorporated by reference. The compositions may be prepared in liquid form, or may be in dried powder, such as lyophilized form.

Oral Delivery. Contemplated for use herein are oral solid dosage forms, which are described generally in Remington's Pharmaceutical Sciences, 18th Ed.1990 (Mack Publishing Co. Easton Pa. 18042) at Chapter 89, which is herein incorporated by reference. Solid dosage forms include tablets, capsules, pills, troches or lozenges, cachets or pellets. Also, liposomal or proteinoid encapsulation may be used to formulate the present compositions (as, for example, proteinoid microspheres reported in U.S. Pat. No. 4,925,673). Liposomal encapsulation may be used and the liposomes may be derivatized with various polymers (e.g., U.S. Pat. No. 5,013,556). A description of possible solid dosage forms for the therapeutic is given by Marshall, K. In: Modern Pharmaceutics Edited by G. S. Banker and C. T. Rhodes Chapter 10, 1979, herein incorporated by reference. In general, the formulation will include an agent of the present invention (or chemically modified forms thereof) and inert ingredients which allow for protection against the stomach environment, and release of the biologically active material in the intestine.

Also specifically contemplated are oral dosage forms of the above derivatized component or components. The component or components may be chemically modified so that oral delivery of the derivative is efficacious. Generally, the chemical modification contemplated is the attachment of at least one moiety to the component molecule itself, where said moiety permits (a) inhibition of proteolysis; and (b) uptake into the blood stream from the stomach or intestine. Also desired is the increase in overall stability of the component or components and increase in circulation time in the body. An example of such a moiety is polyethylene glycol.

For the component (or derivative) the location of release may be the stomach, the small intestine (the duodenum, the jejunum, or the ileum), or the large intestine. One skilled in the art has available formulations which will not dissolve in the stomach, yet will release the material in the duodenum or elsewhere in the intestine. Preferably, the release will avoid the deleterious effects of the stomach environment, either by protection of the protein (or derivative) or by release of the biologically active material beyond the stomach environment, such as in the intestine.

The therapeutic can be included in the formulation as fine multi-particulates in the form of granules or pellets of particle size about 1 mm. The formulation of the material for capsule administration could also be as a powder, lightly compressed plugs or even as tablets. The therapeutic could be prepared by compression.

One may dilute or increase the volume of the therapeutic with an inert material. These diluents could include carbohydrates, especially mannitol, a-lactose, anhydrous lactose, cellulose, sucrose, modified dextrans and starch. Certain inorganic salts may be also be used as fillers including calcium triphosphate, magnesium carbonate and sodium chloride. Some commercially available diluents are Fast-Flo, Emdex, STA-Rx 1500, Emcompress and Avicell.

Disintegrants may be included in the formulation of the therapeutic into a solid dosage form. Materials used as disintegrates include but are not limited to starch, including the commercial disintegrant based on starch, Explotab. Binders also may be used to hold the therapeutic agent together to form a hard tablet and include materials from natural products such as acacia, tragacanth, starch and gelatin.

An anti-frictional agent may be included in the formulation of the therapeutic to prevent sticking during the formulation process. Lubricants may be used as a layer between the therapeutic and the die wall. Glidants that might improve the flow properties of the drug during formulation and to aid rearrangement during compression also might be added. The glidants may include starch, talc, pyrogenic silica and hydrated silicoaluminate.

In addition, to aid dissolution of the therapeutic into the aqueous environment a surfactant might be added as a wetting agent. Additives which potentially enhance uptake of the protein (or derivative) are for instance the fatty acids oleic acid, linoleic acid and linolenic acid.

Nasal Delivery. Nasal delivery of an agent of the present invention (or derivative) is also contemplated. Nasal delivery allows the passage of a peptide, for example, to the blood stream directly after administering the therapeutic product to the nose, without the necessity for deposition of the product in the lung. Formulations for nasal delivery include those with dextran or cyclodextran.

Transdermal administration. Various and numerous methods are known in the art for transdermal administration of a drug, e.g., via a transdermal patch. Transdermal patches are described in for example, U.S. Pat. No. 5,407,713, issued Apr. 18, 1995 to Rolando et al.; U.S. Pat. No. 5,352,456, issued Oct. 4, 1004 to Fallon et al.; U.S. Pat. No. 5,332,213 issued Aug. 9, 1994 to D'Angelo et al.; U.S. Pat. No. 5,336,168, issued Aug. 9, 1994 to Sibalis; U.S. Pat. No. 5,290,561, issued Mar. 1, 1994 to Farhadieh et al.; U.S. Pat. No. 5,254,346, issued Oct. 19, 1993 to Tucker et al.; U.S. Pat. No. 5,164,189, issued Nov. 17, 1992 to Berger et al.; U.S. Pat. No. 5,163,899, issued Nov. 17, 1992 to Sibalis; U.S. Pat. Nos. 5,088,977 and 5,087,240, both issued Feb. 18, 1992 to Sibalis; U.S. Pat. No. 5,008,110, issued Apr. 16, 1991 to Benecke et al.; and U.S. Pat. No. 4,921,475, issued May 1, 1990 to Sibalis, the disclosure of each of which is incorporated herein by reference in its entirety.

It can be readily appreciated that a transdermal route of administration may be enhanced by use of a dermal penetration enhancer, e.g., such as enhancers described in U.S. Pat. No. 5,164,189 (supra), U.S. Pat. No. 5,008,110 (supra), and U.S. Pat. No. 4,879,119, issued Nov. 7, 1989 to Aruga et al., the disclosure of each of which is incorporated herein by reference in its entirety.

Pulmonary Delivery. Also contemplated herein is pulmonary delivery of the pharmaceutical compositions of the present invention. A pharmaceutical composition of the present invention is delivered to the lungs of a mammal while inhaling and traverses across the lung epithelial lining to the blood stream. Other reports of this include Adjei et al. [Pharmaceutical Research, 7:565-569 (1990); Adjei et al., International Journal of Pharmaceutics, 63:135-144 (1990) (leuprolide acetate); Braquet et al., Journal of Cardiovascular Pharmacology, 13(suppl. 5):143-146 (1989) (endothelin-1); Hubbard et al., Annals of Internal Medicine, Vol. 111, pp. 206-212 (1989) (α1-antitrypsin); Smith et al., J. Clin. Invest., 84:1145-1146 (1989) (a-1-proteinase); Oswein et al., “Aerosolization of Proteins”, Proceedings of Symposium on Respiratory Drug Delivery II, Keystone, Colorado, March, (1990) (recombinant human growth hormone); Debs et al., J. Immunol., 140:3482-3488 (1988) (interferon-γ and tumor necrosis factor alpha); Platz et al., U.S. Pat. No. 5,284,656 (granulocyte colony stimulating factor)]. A method and composition for pulmonary delivery of drugs for systemic effect is described in U.S. Pat. No. 5,451,569, issued Sep. 19, 1995 to Wong et al.

A subject in whom administration of an agent of the present invention is an effective therapeutic regiment for cancer, for example, is preferably a human, but can be any animal. Thus, as can be readily appreciated by one of ordinary skill in the art, the methods and pharmaceutical compositions of the present invention are particularly suited to administration to any animal, e.g., for veterinary medical use, particularly for a mammal, and including, but by no means limited to, domestic animals, such as feline or canine subjects, farm animals, including bovine, equine, caprine, ovine, and porcine subjects, wild animals (whether in the wild or in a zoological garden), research animals, such as mice, rats, rabbits, goats, sheep, pigs, dogs, cats, avian species, such as chickens, turkeys, and songbirds.

The present invention may be better understood by reference to the following non-limiting Examples, which are provided as exemplary of the invention. The following examples are presented in order to more fully illustrate the preferred embodiments of the invention. They should in no way be construed, however, as limiting the broad scope of the invention.

EXAMPLES
Example 1
Structure and Ligand of a Histone Acetyltransferase Bromodomain
Introduction

The bromodomain is a protein motif comprising approximately 110 amino acids that is found in practically all nuclear histone acetyltransferases (HATs) [Jeanmougin et al., Trends in Biochemical Sciences, 22:151-153 (1997)]. However, despite the seemingly requisite occurrence of this motif in HATs, their role in these enzymes is unknown. Indeed, although this motif has also been identified in other chromatin proteins, heretofore not even one binding partner for a bromodomain had been identified.

Materials and Methods

Sample preparation: The bromodomain of P/CAF (residues 719-832 of SEQ ID NO:2) was subcloned into the pET14b expression vector (Novagen) and expressed in Escherichia coli BL21(DE3) cells. Uniformly ¹⁵N- and ¹⁵N/¹³C-labelled proteins were prepared by growing bacteria in a minimal medium containing ¹⁵NH₄Cl with or without ¹³C₆-glucose. A uniformly ¹⁵N/¹³C-labelled and fractionally deuterated protein sample was prepared by growing the cells in 75% ²H₂O. The bromodomain was purified by affinity chromatography on a nickel-IDA column (Invitrogen) followed by the removal of poly-His tag by thrombin cleavage. The final purification of the protein was achieved by size-exclusion chromatography. The acetyl-lysine-containing peptides were prepared on a MilliGen 9050 peptide synthesizer (Perkin Elmer) using Fmoc/HBTU chemistry. Acetyl-lysine was incorporated using the reagent Fmoc-Ac-Lys with HBTU/DIPEA activation. NMR samples contained approximately 1 mM protein in 100 mM phosphate buffer of pH 6.5 and 5 mM perdeuterated DTT and 0.5 mM EDTA in H₂₀/²H₂O (9/1) or ²H₂O.

NMR spectroscopy: All NMR spectra were acquired at 30° C. on a Bruker DRX600 or DRX500 spectrometer. The backbone assignments of the ¹H, ¹³C, and ¹⁵N resonances were achieved using deuterium-decoupled triple-resonance experiments of HNCACB and HN(CO)CACB [Yamazaki et al., J. Am. Chem. Soc. 116:11655-11666 (1994)] recorded using the uniformly ¹⁵N/¹³C-labeled and fractionally deuterated protein. The side-chain atoms were assigned from 3D HCCH-TOCSY [Clore and Gronenbom, Meth. Enzymol. 239:249-363 (1994)] and (H)C(CO)NH-TOCSY [Logan et al., J. Biolmol. NMR 3:225-231 (1993)] data collected on the uniformly ¹⁵N/¹³C-labeled protein. Stereospecific assignments of methyl groups of the Val and Leu residues were obtained using a fractionally ¹³C-labeled sample [Neri et al., Biochemistry 28:7510-7516 (1989)]. The NOE-derived distance restraints were obtained from ¹⁵N- or ¹³C-edited 3D NOESY spectra. φ-angle restraints were determined based on the ³J_Hn,H_α coupling constants measured in a 3D H spectrum [Clore and Gronenbom, Meth. Enzymol. 239:249-363 (1994)]. Slowly exchanging amide protons were identified from a series of 2D ¹⁵N-HSQC spectra recorded after the H₂O buffer was changed to a ²H₂O buffer. The intermolecular NOEs used in defining the structure of the bromodomain/Ac-histamine complex were detected in ¹³C-edited (F₁), ¹³C/¹⁵N-filtered (F₃) 3D NOESY spectrum [Clore and Gronenbom, Meth. Enzymol. 239:249-363 (1994)]. All NMR spectra were processed with the NMRPipe/NMRDraw programs and analyzed using NMRView [Johnson and Blevins, J. Biomol., NMR 4:603-614 (1994)].

Structure calculations: Structures of the bromodomain were calculated with a distance geometry/simulated annealing protocol using the X-PLOR program [Brunger, X-PLOR Version 3.1: A system for X-Ray crystallography and NMR, Yale University Press, New Haven, Conn., (1993)]. A total of 1324 manually assigned NOE-derived distance restraints were obtained from the ¹⁵N—- and ¹³C-edited NOE spectra. Further analysis of the NOE spectra was carried out by the iterative automated assignment procedure using ARIA [Nilges and O'Donoghue, Prog. NMR Spectroscopy 32:107-139 (1998)], which integrates with X-PLOR for structure calculations. A total of 1519 unambiguous and 590 ambiguous distance restraints were identified from the NOE data by ARIA, many of which were checked and confirmed manually. The ARIA-assigned distance restraints were in agreement with the structures calculated using only the manually assigned NOE distance restraints, 28 hydrogen-bond distance restraints for 14 hydrogen bonds, and 54φ-angle restraints. The final structure calculations employed a total of 3515 NMR experimental restraints obtained from the manual and the ARIA-assisted assignments, 2843 of which were unambiguously assigned NOE-derived distance restraints that comprise of 1077 intra-residue, 621 sequential, 550 medium-range, and 595 long-range NOEs. For the ensemble of the final 30 structures, no distance and torsional angle restraints were violated by more than 0.3 Å and 5°, respectively. The total, distance violation, and dihedral violation energies were 178.7±2.4 kcal mol⁻¹, 41.6±0.9 kcal mol⁻¹, and 0.50±0.06 kcal mol⁻¹, respectively. The Lennard-Jones potential which was not used during any refinement stage, was −526.2±16.8 kcal mol⁻¹for the final structures. Ramachandran plot analysis of the final structures (residues 727-828) with Procheck-NMR [Laskowski et al., J. Biolmol. NMR 8:477-486 (1996)] showed that 71.0±0.6%, 23.8±0.6%, 3.5±0.2%, and 1.7±0.2% of the non-Gly and non-Pro residues were in the most favorable, additionally allowed, generously allowed, and disallowed regions, respectively. The corresponding values for the residues in the four a-helices (residues 727-743, 770-776, 785-802, and 807-827) were 88.9±0.4%, 11.0±0.4%, 0.1±0.1%, and 0.0±0.0%, respectively. The structure of the bromodomain/acetyl-histamine complex was determined using the free form structure and additional 25 intermolecular and 5 intra-ligand NOE-derived distance restraints.

Site-directed mutagenesis: Mutant proteins were prepared using the QuickChange site-directed mutagenesis kit (Stratagene). The presence of appropriate mutations was confirmed by DNA sequencing.

Ligand titration: Ligand titration experiments were performed by recording a series of 2D ¹⁵N—- and ¹³C-HSQC spectra on the uniformly ¹⁵N-, and ¹⁵N/¹³C-labelled bromodomain (˜0.3 mM), respectively, in the presence of different amounts of ligand concentration ranging from 0 to approximately 2.0 mM. The protein sample and the stock solutions of the ligands were all prepared in the same aqueous buffer containing 100 mM phosphate and 5 mM perdeuterated DTT at pH 6.5.

The full length nucleic acid sequence of the human p300/CBP-associated factor (P/CAF) was obtained from GenBank. Accession No: U57317.2 (SEQ ID NO: 1):

1
ggggccgcgt cgacgcggaa aagaggccgt ggggggcctc ccagcgctgg cagacaccgt

61
gaggctggca gccgccggca cgcacaccta gtccgcagtc ccgaggaaca tgtccgcagc

121
cagggcgcgg agcagagtcc cgggcaggag aaccaaggga gggcgtgtgc tgtggcggcg

181
gcggcagcgg cagcggagcc gctagtcccc tccctcctgg gggagcagct gccgccgctg

241
ccgccgccgc caccaccatc agcgcgcggg gcccggccag agcgagccgg gcgagcggcg

301
cgctaggggg agggcggggg cggggagggg ggtgggcgaa gggggcggga gggcgtgggg

361
ggagggtctc gctctcccga ctaccagagc ccgagggaga ccctggcggc ggcggcggcg

421
cctgacactc ggcgcctcct gccgtgctcc ggggcggcat gtccgaggct ggcggggccg

481
ggccgggcgg ctgcggggca ggagccgggg caggggccgg gcccggggcg ctgcccccgc

541
agcctgcggc gcttccgccc gcgcccccgc agggctcccc ctgcgccgct gccgccgggg

601
gctcgggcgc ctgcggtccg gcgacggcag tggctgcagc gggcacggcc gaaggaccgg

661
gaggcggtgg ctcggcccga atcgccgtga agaaagcgca actacgctcc gctccgcggg

721
ccaagaaact ggagaaactc ggagtgtact ccgcctgcaa ggccgaggag tcttgtaaat

781
gtaatggctg gaaaaaccct aacccctcac ccactccccc cagagccgac ctgcagcaaa

841
taattgtcag tctaacagaa tcctgtcgga gttgtagcca tgccctagct gctcatgttt

901
cccacctgga gaatgtgtca gaggaagaaa tgaacagact cctgggaata gtattggatg

961
tggaatatct ctttacctgt gtccacaagg aagaagatgc agataccaaa caagtttatt

1021
tctatctatt taagctcttg agaaagtcta ttttacaaag aggaaaacct gtggttgaag

1081
gctctttgga aaagaaaccc ccatttgaaa aacctagcat tgaacagggt gtgaataact

1141
ttgtgcagta caaatttagt cacctgccag caaaagaaag gcaaacaata gttgagttgg

1201
caaaaatgtt cctaaaccgc atcaactatt ggcatctgga ggcaccatct caacgaagac

1261
tgcgatctcc caatgatgat atttctggat acaaagagaa ctacacaagg tggctgtgtt

1321
actgcaacgt gccacagttc tgcgacagtc tacctcggta cgaaaccaca caggtgtttg

1381
ggagaacatt gcttcgctcg gtcttcactg ttatgaggcg acaactcctg gaacaagcaa

1441
gacaggaaaa agataaactg cctcttgaaa aacgaactct aatcctcact catttcccaa

1501
aatttctgtc catgctagaa gaagaagtat atagtcaaaa ctctcccatc tgggatcagg

1561
attttctctc agcctcttcc agaaccagcc agctaggcat ccaaacagtt atcaatccac

1621
ctcctgtggc tgggacaatt tcatacaatt caacctcatc ttcccttgag cagccaaacg

1681
cagggagcag cagtcctgcc tgcaaagcct cttctggact tgaggcaaac ccaggagaaa

1741
agaggaaaat gactgattct catgttctgg aggaggccaa gaaaccccga gttatggggg

1801
atattccgat ggaattaatc aacgaggtta tgtctaccat cacggaccct gcagcaatgc

1861
ttggaccaga gaccaatttt ctgtcagcac actcggccag ggatgaggcg gcaaggttgg

1921
aagagcgcag gggtgtaatt gaatttcacg tggttggcaa ttccctcaac cagaaaccaa

1981
acaagaagat cctgatgtgg ctggttggcc tacagaacgt tttctcccac cagctgcccc

2041
gaatgccaaa agaatacatc acacggctcg tctttgaccc gaaacacaaa acccttgctt

2101
taattaaaga tggccgtgtt attggtggta tctgtttccg tatgttccca tctcaaggat

2161
tcacagagat tgtcttctgt gctgtaacct caaatgagca agtcaagggc tatggaacac

2221
acctgatgaa tcatttgaaa gaatatcaca taaagcatga catcctgaac ttcctcacat

2281
atgcagatga atatgcaatt ggatacttta agaaacaggg tttctccaaa gaaattaaaa

2341
tacctaaaac caaatatgtt ggctatatca aggattatga aggagccact ttaatgggat

2401
gtgagctaaa tccacggatc ccgtacacag aattttctgt catcattaaa aagcagaagg

2461
agataattaa aaaactgatt gaaagaaaac aggcacaaat tcgaaaagtt taccctggac

2521
tttcatgttt taaagatgga gttcgacaga ttcctataga aagcattcct ggaattagag

2581
agacaggctg gaaaccgagt ggaaaagaga aaagtaaaga gaccagagac cctgaccagc

2641
tttacagcac gctcaagagc atcctccagc aggtgaagag ccatcaaagc gcttggccct

2701
tcatggaacc tgtgaagaga acagaagctc caggatatta tgaagttata aggttcccca

2761
tggatctgaa aaccatgagt gaacgcctca agaataggta ctacgtgtct aagaaattat

2321
tcatggcaga cttacagcga gtctttacca attgcaaaga gtacaacgcc gctgagagtg

2881
aatactacaa atgtgccaat atcctggaga aattcttctt cagtaaaatt aaggaagctg

2941
gattaattga caagtgattt tttttccccc tctgcttctt agaaactcac caagcagtgt

3001
gcctaaagca aggt

The full length protein sequence of the human p300/CBP-associated factor (P/CAF) was obtained from GenBank. Accession No: U57317.2, (SEQ ID NO:2):

1
MSEAGGAGPG GCGAGAGAGA GPGALPPQPA ALPPAPPQGS PCAAAAGGSC ACGPATAVAA

61
ACTAEGPGGG GSARTAVKKA QLRSAPRAKK LEKLGVYSAC KAEESCKCNG WKNPNPSPTP

121
PRADLQQIIV SLTESCRSCS HALAAHVSHL ENVSEEEMNR LLGTVLDVEY LFTCVHKEED

181
ADTKQVYFYL FKLLRKSILQ RGICPVVEGSL EKKPPFEKPS IEQGVNNFVQ YKFSHLPAKE

241
RQTIVELK(M FLNRINYWHL EAPSQRRLRS PNDDTSGYKE NYTRWLCYCN VPQFCDSLPR

301
YETTQVFGRT LLRSVFTV34R RQLLEQARQE KDKLPLEKRT LILTHFPKFL SMLEEEVYSQ

361
NSPTWDQDFL SASSRTSQLG IQTVINPPPV AGTISYNSTS SSLEQPNAGS SSPACKASSG

421
LEANPGEKRK MTDSHVLEEA KKPRVMGDIP MELINEVMST ITDPAAMLGP ETNFLSAHSA

481
RDEAARLEER RGVTEFHVVG NSLNQKPNKK ILMWLVGLQN VFSHQLPRMP KEYITRLVFD

541
PKHKTLALIK DGRVIGGICF RMFPSQGFTE IVFCAVTSNE QVKGYGTHLM NHLKEYHIKH

601
DILNFLTYAD EYAIGYFKKQ GFSKEIKIFK TKYVGYIKDY EGATLMGCEL NPRIPYTEFS

661
VIIKKQKEII KKLIERKQAQ IRKVYPGLSC FKDGVRQIPI ESIPGIRETG WKPSGKEKSK

721
EPRDPDQLYS TLKSILQQVK SHQSAWPFME PVKRTEAPGY YEVIRFPMDL KTMSERLKNR

781
YYVSKKLFMA DLQRVFTNCK EYNAAESEYY KCANILEKFF FSKIKEAGLI DK

Results

The P/CAF bromodomain represents an extensive family of bromodomains (FIG. 1). A large number of long-range nuclear Overhauser enhancement (NOE)-derived distance restraints were identified in the NMR data of the P/CAF bromodomain, yielding a well-defined three-dimensional structure (FIGS. 2A-2D). Table 1 shows the NMR chemical shift assignment of the P/CAF bromodomain. Table 2 shows the Unambiguous NOE-derived distance restraints. Table 3 shows the Ambiguous NOE-derived distance restraints. Table 4 shows the Hydrogen bond restraints. The NMR structure coordinates of the P/CAF bromodomain in the free and complexed to acetyl-histamine are shown in Tables 5 and 6, respectively.

The structure consists of a four-helix bundle (helices α_Z, α_A, α_B, and α_C) with a left-handed twist, and a long intervening loop between helices α_Zand α_A(termed the ZA loop, FIG. 2E). The four amphipathic a-helices are packed tightly against one another in an antiparallel manner, with crossing angles for adjacent helices of ˜16-20°. The up-and-down four-helix bundle can adapt two topological folds with opposite handedness (FIGS. 2F-2G). The right-handed four-helix bundle fold occurs more commonly and is seen in proteins such as hemerythrin and cytochrome b₅₆₂. The left-handed fold of the bromodomain structure is less common, but also observed in proteins such as cytochrome b₅and T4 lysozyme [Richardson, J., Adv. Protein Chem., 34:167-339 (1989); Presnell and Cohen, Proc. Natl. Acad. Sci. USA 86:6592-6596 (1989)]. This topological difference arises from the orientation of the loop between the first two helices (FIGS. 2F-2G). The right-handed four-helix bundle proteins have a relatively short hairpin-like connection between the first two helices, which makes the “preferred” turn to the right at the top of the first helix [Richardson, J., Adv. Protein Chem., 34:167-339 (1989); Presnell and Cohen, Proc. Natl. Acad. Sci. USA 86:6592-6596 (1989); Weber and Salemme, Nature 287:82-84 (1980)]. In contrast, proteins with the left-handed fold usually have a long loop after the first helix and often contain additional secondary structural elements at the base of the helix bundle [Richardson, J., Adv. Protein Chem., 34:167-339 (1989); Presnell and Cohen, Proc. Natl. Acad. Sci. USA 86:6592-6596 (1989)]. In the bromodomain structure, this long ZA loop has a defined conformation and is packed against the loop between helices α_Band α_C(termed the BC loop) to form a hydrophobic pocket. These tertiary interactions between the two loops appear to favor the left turn of the ZA loop, resulting in the left-handed four-helix bundle fold of the bromodomain. The hydrophobic pocket formed by loops ZA and BC is lined by residues Val752, Ala757, Tyr760, Val763, Tyr802 and Tyr809 (FIG. 2H), and appears to be a site for protein-protein interactions (see below). The pocket is located at one end of the four-helix bundle, opposite to the N- and C-termini of the protein. Interestingly, the ZA loop varies in length amongst different bromodomains, but almost always contains residues corresponding to Phe748, Pro751, Pro758, Tyr760, and Pro767 (FIG. 1). The conservation of these residues within the ZA loop as well as residues within the a-helical regions implies a similar left-handed four-helix bundle structure for the large family of bromodomains (FIG. 1).

The modular bromodomain structure supports the idea that bromodomain can act as a functional unit for protein-protein interactions. The observation that bromodomains are found in nearly all known nuclear HATs (A-type) that are known to promote transcription-related acetylation of histones on specific lysine residues, but not present in cytoplasmic HATs (B-type), prompted the determination of whether bromodomains can interact with acetyl-lysine (AcK). The NMR titration of the P/CAF bromodomain were performed with a peptide (SGRGKGG-_AcK-GLGK) (SEQ ID NO: 62)derived from histone H4, in which Lys8 is acetylated (Lys8 is the major acetylation site in H4 for GCN5, a yeast homologue of P/CAF). Remarkably, the bromodomain could indeed bind the AcK peptide. Moreover, this interaction appeared to be specific, based on the ¹⁵N-HSQC spectra which showed that only a limited number of residues underwent chemical shift changes as a function of peptide concentration (FIG. 3A). Conversely, the NMR titration of the bromodomain with a non-acetylated, but otherwise identical H4 peptide, showed no noticeable chemical shift changes, demonstrating that the interaction between the bromodomain and the lysine-acetylated H4 peptide was dependent upon acetylation of lysine. The dissociation constant (K_D) for the AcK peptide was estimated to be 346±54 μM. This binding is likely reinforced through additional interactions between bromodomain-containing proteins and target proteins. Notably, many chromatin-associated proteins contain two or multiple bromodomains (FIG. 1). Indeed, binding with another lysine-acetylated peptide (RKSTGG-AcK-APRKQ) (SEQ ID NO: 63) derived from the major acetylation site on histone H3 (residues 9-20) was also observed. Together, these data demonstrate that the P/CAF bromodomain has the ability to bind AcK peptides in an acetylation dependent manner.

Intriguingly, the bromodomain residues that exhibited the most significant ¹H and ¹⁵N chemical shift changes on peptide binding are located near the hydrophobic pocket between the ZA and BC loops (FIG. 3B). Because a similar pattern of amide chemical shift changes was observed with the two different AcK-containing peptides, it was surmised that the hydrophobic cavity is the primary binding site for AcK. This hypothesis was further supported by titration with acetyl-histamine, which mimics the chemical structure of the AcK side-chain (FIG. 3C). Both ¹⁵N—- and ¹³C-HSQC spectra showed that interaction with acetyl-histamine was also acetylation-dependent, involving the same set of residues that showed chemical shift perturbations with similar concentration dependence. It should be noted that the bromodomain did not bind to the amino acids acetyl-lysine or acetyl-histidine alone, possibly due to the presence of the charged amino, carboxyl, or caboxylate group adjacent to the acetyl moiety (FIG. 3C). Taken together, these results strongly suggest that the P/CAF bromodomain can interact with acetyl-lysine-containing proteins in a specific manner, and that this interaction is localized to the bromodomain hydrophobic cavity.

To identify the key residues involved in bromodomain-AcK recognition, the NMR structure of the P/CAF bromodomain in complex with acetyl-histamine was elucidated. As anticipated, the acetylated moiety binds in the bromodomain hydrophobic pocket (FIG. 4). The intermolecular interactions are largely hydrophobic in nature, with the methyl group of acetyl-histamine making extensive contacts with the side-chains of Val752, Ala757, and Tyr760, and the methylene groups of acetyl-histamine displaying specific NOEs to Val752, Ala757, Tyr760, Tyr802, and Tyr809. No intermolecular NOEs were observed for the imidazole ring of acetyl-histamine. From the spectral analysis it is clear that the structure of the bromodomain is very similar in both the free and complex forms.

It is worth noting that the bromodomain-AcK recognition is reminiscent of the interactions between the histone acetyltransferase Hat1 and acetyl-CoA. Although the binding pockets of these two otherwise structurally unrelated proteins are composed of different secondary structural elements, the nature of acetyl-lysine recognition has striking similarities. In particular, Tyr809, Tyr802, Tyr760, and Val752 in the bromodomain appear to be related to Phe220, Phe261, Val254, and Ile217 of Hat1, respectively, in their interactions with the acetyl moiety. This observation may suggest an evolutionary convergent mechanism of acetyl-lysine recognition between bromodomains and histone acetyltransferases.

To determine the relative contributions of residues within the hydrophobic cavity in bromodomain-AcK binding, site-directed mutagenesis was used to alter residues Tyr809, Tyr802, Tyr760, and Val752 (Table 7).

TABLE 7

Structural and Functional Analysis of the P/CAF Bromodomain

Mutants

Bromodomain

H4 AcK-Peptide Binding

Proteins
Structural Integrity ^a
K_D(μM) ^b

Wild-Type
++++
346 ± 54

Tyr809Ala
++++
No Binding ^c

Tyr802Ala
+++
>10,000 ^d

Tyr760Ala
+++
>10,000

Val752Ala
++
>10,000

^aThe effects of mutations on the structural integrity of the bromodomain were assessed by using the ¹⁵N-HSQC spectra. The amide ¹H/¹⁵N resonances of the mutant proteins were compared to those of the wild-type bromodomain to determine if the particular mutations lead to global or local structure disruption. Severe line-broadening of the amide resonances would indicate protein conformational exchange due to a decrease of structure stability resultingfrom point mutations. Structural integrity of the mutant proteins is expressed here relative to that of the wild-type, using the signs of “++++” for as stable as the wild-type, “+++” for mildly destabilized, “++” for moderately destabilized, and “−” for completely unfolded.

^bThe ligand binding affinity (K_D) of the bromodomain proteins was estimated by following chemical shift changes of amide peaks in the ¹⁵N-HSQC spectra as a function of the ligand concentration.

^cNo detectable ligand binding observed in the NMR titration.

^dLigand binding affinity was significantly reduced and beyond the limit for reliable measurements by NMR titration.

Substitution of Ala for Tyr809 completely abrogated the bromodomain binding to the lysine-acetylated H4 peptide, while the Tyr802Ala, Tyr760Ala, and Val752Ala mutants had significantly reduced ligand binding affinity. To assess whether these mutations disrupted the overall bromodomain fold, the ¹⁵N-HSQC spectra of the mutants was compared to that of the wild-type protein. For the Tyr809Ala mutant, the amide chemical shifts were only affected for a few residues near the mutation site. However, mutations of the other residues in the hydrophobic binding pocket perturbed the local protein conformation to greater extents, particularly the ZA loop (Table 7). Thus, the NMR structural analysis and the mutagenesis studies show that Tyr809, which is structurally supported by Trp746 and Asn803 (FIG. 4), is essential for the bromodomain interaction with the acetyl group of acetyl-lysine, while residues of Tyr802, Tyr760, and Val752 likely play both structural and functional roles in the recognition. These residues are highly conserved throughout the bromodomain family (FIG. 1), suggesting that recognition of acetyl-lysine may be a feature of bromodomains, in general. Therefore, Val752, Ala757, Tyr760, Tyr802, Asn803, and Tyr809 are key amino acid residues for the P/CAF bromodomain binding to acetyl-lysine.

TABLE 8

Amino Acid Sequences of Bromodomains Identified in

FIG. 1

PROTEIN
SEQ ID
GenBank

BD
NO:
Acc. No.

hsp/CAF
7
U57317

hsGCN5
8
U57136

ttP55
9
U47321

scGCN5
10
Q03330

hsP300
11
A54277

hsCBP
12
S39162

mmCBP
13
S39161

ceYNJ1
14
P34545

hsCCG1-1
15
P21675

msCCG1-1
16
D26114

hsCCG1-2
17

msCCG1-2
18

hsRing3-1
19
P25440

hsOREX-1
20
D26362

dmFSH-1
21
P13709

scBDF1-1
22
P35817

hsRing3-2
23

hsORFX-2
24

dmFSH-2
25

scBDF1-2
26

hsBR14O
27
JC2069

hsSMAP
28
X87613

ggPB1-1
29
X90849

ggPB1-2
30

ggPB1-3
31

ggPB1-4
32

ggPB1-5
33

spBRO-1
34
S54260

spBRO-2
35

hsSNf2a
36
S45251

hsBRGL
37
S39039

ggBRM
38
X91638

ggBRG1
39
X91637

hsTIF1b
40
X97548

mmTIF1b
41
X99644

mmTIF1a
42
S78219

Example 2
Structural Insights into HIV-1 TAT Transactivation via P/CAF
Introduction

Whereas the life cycle of HIV is still being elucidated, it is currently accepted that HIV binds to CD4 protein of a host T cell or macrophage and with the aid of a chemokine receptor (e.g., CCR5 or CXCR4) enters the host cell. Once in the host cell, the retrovirus, HV-1, is converted to a DNA by reverse transcriptase and the expression of the HIV-1 genome is dependent on a complex series of events that are believed to be under the control of two viral regulatory proteins, Tat and Rev [Romano et al., J. Cell Biochem. 75(3):357-368 (1999)]. Rev controls post-translational events, whereas, Tat (the trans-activator protein) functions to stimulate the production of full-length HIV transcripts and viral replication in infected cells.

The Tat protein transactivates the transcription of HIV-1 starting at the 5′ long terminal repeat (LTR) [Romano et al., J. Cell Biochem. 75(3):357-368 (1999)] by recruiting one or more carboxyl-terminal domain kinases to the HIV-1 promoter. More specifically, Tat stimulates transcription from the LTR at a hairpin element, the transactivation responsive region (TAR) [Kiernan et al., EMBO J. 18:6106-6118 (1999)] at least in part by interacting with and thereby recruiting the carboxyl-terminal domain kinase, i.e., the positive transcriptional elongation factor (P-TEFb) to the TAR RNA element [Garber et al., Mol. Cell. Biol. 20(18):6958-6969 (2000)]. P-TEFb is a muti-subunit kinase that minimally comprises a heterodimer consisting of the regulatory cyclin T1and its corresponding catalytic subunit, cyclin-dependent kinase 9 (CDK9). P-TEFb acts by phosphorylating the carboxyl-terminal domain of RNA polymerase II [Peng et al., J. Biol. Chem. 274 (49):34527-34530 (1999); Romano et al., J. CellBiochem. 75(3):357-368 (1999)].

Recently, it has been shown that HIV-1 Tat transcription activity is regulated through lysine acetylation by, and association with the histone acetyltransferases (HATs) p300/CBP and the p300/CBP-associating factor (P/CAF), which specifically acetylate lysine 50 (K50) and Lysine 28 (K28) of the Tat protein, respectively [Kiernan et al., EMBO J. 18:6106-6118 (1999); Ott et al., Curr. Biol. 9:1489-1492 (1999)]. Notably, the acetylation of K50 by the transcriptional co-activator p300/CBP is on the C-terminal arginine-rich motif (ARM) of Tat, which is essential for its binding to the TAR RNA element and for nuclear localization, [Kiernan et al., EMBO J. 18:6106-6118 (1999); Ott et al., Curr. Biol. 9:1489-1492 (1999)]. Acetylation of K28 of Tat by P/CAF enhances Tat binding to P-TEFb, whereas acetylation of K50 of Tat by P300/CBP promotes the dissociation of Tat from the TAR RNA element. This dissociation of Tat from the TAR RNA element occurs during early transcription elongation [Kiernan et al., EMBO J. 18:6106-6118 (1999)]. However, heretofore, little else was known regarding the relationship of these HATs with Tat after the acetylation has occurred.

Methods

Sample preparation: The bromodomain of P/CAF (residues 719-832) was subcloned into the pET14b expression vector (Novagen) and expressed in Escherichia coli BL21(DE3) cells. Uniformly ¹⁵N—- and ¹⁵N/¹³C-labeled proteins were prepared by growing bacteria in a minimal medium containing ¹⁵NH₄Cl with or without ¹³C₆-glucose. A uniformly ¹⁵N/¹³C-labeled and fractionally deuterated protein sample was prepared by growing the cells in 75% ²H₂O. The bromodomain was purified by affinity chromatography on a nickel-IDA column (Invitrogen) followed by the removal of poly-His tag by thrombin cleavage. The final purification of the protein was achieved by size-exclusion chromatography. The acetyl-lysine-containing peptides were prepared on a MilliGen 9050 peptide synthesizer (Perkin Elmer) using Fmoc/HBTU chemistry. Acetyl-lysine was incorporated using the reagent Fmoc-Ac-Lys with HBTU/DIPEA activation. NMR samples contained ˜0.5 mM protein in complex with the lysine-acetylated Tat peptide in 100 mM phosphate buffer of pH 6.5 and 5 mM perdeuterated DTT and 0.5 mM EDTA in H₂₀/²H₂O (9/1) or ²H₂O. The bromodomain-containing constructs from P/CAF, CBP and TIF-1β were cloned into pGEX4T-3 vector (Pharmacia). These recombinant GST-fusion proteins were expressed in BL21 (DE3) codon plus cell line, and purified by using glutathione sepharose column.

NMR spectroscopy: All NMR spectra were acquired at 30° C. on a Bruker DRX600 or DRX500 spectrometer. The backbone assignments of the ¹H, ¹³C, and ¹⁵N resonances were achieved using deuterium-decoupled triple-resonance experiments of HNCACB and HN(CO)CACB [Yamazaki et al., J. Am. Chem. Soc. 116:11655-11666 (1994)] recorded using the uniformly ¹⁵N/¹³C-labelled and fractionally deuterated protein. The side-chain atoms were assigned from 3D HCCH-TOCSY [Clore and Gronenbom, Meth. Enzymol. 239:249-363 (1994)] and (H)C(CO)NH-TOCSY [Logan et al., J. Biolmol. NMR 3:225-231 (1993)] data collected on the uniformly ¹⁵N/¹³C-labeled protein. Stereospecific assignments of methyl groups of the valine and leucine residues were obtained using a fractionally ¹³C-labeled sample [Neri et al., Biochemistry 28:7510-7516 (1989)]. The NOE-derived distance restraints were obtained from ¹⁵N- or ¹³C-edited 3D NOESY spectra [Clore and Gronenbom, Meth. Enzymol. 239:249-363 (1994)]. φ-angle restraints were determined based on the ³J_HN,Hcoupling constants measured in a 3D HNHA spectrum [Clore and Gronenbom, Meth. Enzymol. 239:249-363 (1994)]. Slowly exchanging amide protons were identified from a series of 2D ¹⁵N-HSQC spectra recorded after the H₂O buffer was changed to a ²H₂O buffer. The intermolecular NOEs used in defining the structure of the bromodomain/Ac-histamine complex were detected in ¹³C-edited (F₁), ¹³C/¹⁵N-filtered (F₃) 3D NOESY spectrum [Clore and Gronenbom, Meth. Enzymol. 239:249-363 (1994)]. All NMR spectra were processed with the NMRPipe/NMRDraw programs and analyzed using NMRView [Johnson and Blevins, J. Biomol., NMR 4:603-614 (1994)].

Ligand titration experiments were performed by recording a series of 2D ¹⁵N-HSQC spectra on the uniformly ¹⁵N-labelled bromodomain (˜0.3 mM), respectively, in the presence of different amounts of ligand concentration ranging from 0 to ˜2.0 mM. The protein sample and the stock solutions of the ligands were all prepared in the same aqueous buffer containing 100 mM phosphate and 5 mM perdeuterated DTT at pH 6.5.

Structure calculations. Structures of the bromodomain were calculated with a distance geometry/simulated annealing protocol using the X-PLOR program [Brunger, X-PLOR Version 3.1: A system for X-Ray crystallography and NMR, Yale University Press, New Haven, Conn., (1993)]. A total of 1324 manually assigned NOE-derived distance restraints were obtained from the ¹⁵N- and ¹³C-edited NOE spectra. Further analysis of the NOE spectra was carried out by the iterative automated assignment procedure by using ARIA [Nilges and O'Donoghue, Prog. NMR Spectroscopy 32:107-139 (1998)], which integrates with X-PLOR for structure calculations. The ARIA-assigned distance restraints were in agreement with the structures calculated using only the manually assigned NOE distance restraints, hydrogen-bond distance restraints, and 54 φ-angle restraints. The final structure calculations employed a total of 2903 NMR experimental restraints obtained from the manual and the ARIA-assisted assignments. For the ensemble of the final 30 structures, no distance and torsional angle restraints were violated by more than 0.3 Å and 5 Å, respectively. The Lennard-Jones potential which was not used during any refinement stage, and stereochemistry of the final structures was validated with Ramachandran plot analysis by using Procheck-NMR [Laskowski et al., J. Biolmol. NMR 8:477-486 (1996)].

Site directed mutagenesis. Site directed mutagenesis was performed on selected residues of P/CAF Bromodomain using quick-change kit (Stratagene). The mutants were confirmed by sequencing and proteins were expressed and purified as above.

Peptide binding assay. Equal amount (10 μM) of GST, GST-P/CAF bromodomain and its mutant proteins, as well as various GST-fusion bromodomains from CBP and TIF1β were incubated for at least two hours at room temperature with the N-terminal biotinylated and lysine-acetylated Tat peptide (50 μM) in a 50 mM Tris buffer of pH 7.5, containing 50 mM NaCl, 0.1% BSA and 1 mMDTT. Streptavidin agarose (10 μL) was added to mixture and the beads were washed twice in the Tris buffer with 500 mM NaCl and 0.1% NP-40. Proteins were eluted from the argarose beads in SDS buffer and separated on a 14% SDS-PAGE. The resolved proteins were transferred onto nitrocellulose membrane (Pharmacia), and the membrane was blocked overnight with 5% non-fat milk in washing buffer of 20 mM Tris, pH 7.5, plus 150 mM NaCl and 0.1% Tween-20 at 4° C. Western blotting was performed with anti-GST antibody (Sigma) and goat anti-rabbit IgG conjugated with horseradish-peroxidase (Promega) and developed by chemiluminescence. Peptide competition experiments were performed by incubating various non-biotinylated and mutant Tat peptide with the P/CAF bromodomain and the biotinylated and wild type Tat peptide. The molar ratio of the wild type and mutant Tat peptides in the mixture were kept at 1:2. The binding results were analyses by using the procedure as described above.

The full length protein sequence of the Human Immunodeficiency Virus type 1

Tat was obtained from GenBank, Accession No: AAA83395:

1 MEPVDPRLEP WKHPGSQPKT ASNNCYCKRC CLHCQVCFTK KGLGISYGRK KRRQRRRAPQ
61 DSKTHQVSLS KQPASQPRGD PTGPKESKKK VERETETDPE D (SEQ ID NO:45)

Results

To test whether or not the bromodomains of these HATs can bind to the lysine-acetylated Tat, in vitro binding assays were performed by using recombinant and purified bromodomains and lysine-acetylated peptides derived from the acetylation sites in Tat. While the bromodomains of CBP and TIF1β did not show any binding, the P/CAF bromodomain binds tightly only to the Tat peptide containing AcK50 (where AcK stands for an N^ε-acetyl lysine residue) (FIGS. 5A-5B). NMR binding studies further confirmed the specific interaction of the P/CAF bromodomain and lysine-acetylated Tat peptide. Because NMR resonances of amide protons are highly sensitive to local chemical environment and conformational change in a protein, two-dimensional ¹H-¹⁵N heteronuclear single quantum correlation (HSQC) spectrum can be used to detect even weak but specific interactions between a protein and its binding ligand. As shown in 2D HSQC spectra (FIGS. 6A-6D), the bromodomain of P/CAF binds weakly to the lysine-acetylated peptides derived from known acetylation sites of K28 on Tat and of K16 on histone H4 by only interacting with the acetyl-lysine residue in the peptides (K_d<300 μM). This is reflected the relatively small chemical shift perturbation of the amide proton signals of the protein upon addition of ligand. On the other hand, the P/CAF bromodomain interacts strongly with the Tat AcK50 peptide, which involves many protein residues in addition to those for acetyl-lysine binding with an estimated K_dof ˜20 μM. Binding of peptide residues flanking the acetyl-lysine may explain the high specificity of the P/CAF bromodomain for the acetylated Tat. Furthermore, the p300/CBP bromodomain did not bind the lysine-acetylated Tat peptide in a specific manner except its weak interaction with the acetyl-lysine residue in the peptide (FIGS. 6A-6D). Together, these results demonstrate the P/CAF bromodomain can specifically recognize the lysine-acetylated Tat involving K50.

To determine how the P/CAF binding affects Tat function in vivo, transactivation activity of Tat was measured. Superinduction of Tat transactivation activity exhibited as much as a 30-fold increase upon P/CAF stimulation (FIG. 7). This profound P/CAF effect requires acetylation at K50 on Tat, as a double mutant of K50 and K5 1 substituted with arginines resulted in a nearly two-thirds reduction of the enhancement. Further, specific interaction between P/CAF and wild type Tat in cells was also detected, but not with the Tat double mutant containing K50R/K51R (FIGS. 8A-8B). Taken together, these results confirm that P/CAF can directly interact via its bromodomain with the lysine-acetylated Tat, which possibly regulates Tat transactivation activity.

To further understand the molecular basis of the P/CAF bromodomain recognition of the lysine-acetylated Tat, the three-dimensional structure was determined for the P/CAF bromodomain in complex with an 11-residue Tat peptide containing AcK50. A total of 2,903 NMR-derived distance and dihedral angle restraints were used. The structure of the bromodomain in the peptide-bound form consists of an up-and-down four-helix bundle (helices α_Z, α_A, α_B, and α_C) with a left-handed twist, and a long intervening loop between helices α_Zand α_A(termed the ZA loop) (FIG. 9). The overall structure of the complex is well defined (Table 9), and similar to the structure of the free bromodomain [Dhalluin et al., Nature 399:491-496 (1999); Example 1 above] except that the ZA and BC loops, which compose the acetyl-lysine binding pocket, undergo local conformational changes in order to accommodate their interactions with the peptide residues.

TABLE 9

NMR Structural Statistics of the P/CAF

Bromodomain/Tat Peptide Complex

Total Experimental Restraints

2903

Distance Restraints^a

2822

Total Ambiguous

122

Total Unambiguous

2700

Intra-residue
(i = j)
1118
(41.40%)

Sequential
(|i − j| = 1)
487
(18.04%)

Medium
(2 ≦ |i − j| ≦ 4)
547
(20.26%)

Long range
(|i − j| > 4)
478
(17.70%)

Intermolecular

78
(2.39%)

Hydrogen Bond Restraints

28

Dihedral Angle Restraints

53

Final Energies (kcalmol⁻¹)

E_Total
366.35 ± 31.11

E_NOE
58.05 ± 12.57

E_Dihedral
0.57 ± 0.31

E_L−Jb
−569.47 ± 22.42

Ramachandran Plot (%)
Protein/Peptide Complex
Secondary Structure

Most Favorable Region
72.06 ± 2.29
91.95 ± 3.04

Additionally Allowed
22.91 ± 2.41
7.42 ± 3.08

Region

Generously Allowed
3.64 ± 1.40
0.62 ± 0.82

Region

Disallowed Region
1.33 ± 0.64
0.00 ± 0.0

RMSDs of Atomic

Coordinates (Å)
Protein/Peptide Complex
Secondary Structure

Protein (aa 9-116)

Backbone
0.66 ± 0.14
0.39 ± 0.05

Heavy atoms
1.25 ± 0.18
0.96 ± 0.07

Peptide (aa 202-206,

208-209)

Backbone
0.50 ± 0.16

Heavy atoms
1.83 ± 0.50

Complex (aa 9-116,

202-206, 208-209)

Backbone
0.72 ± 0.15
0.54 ± 0.09

Heavy atoms
1.39 ± 0.20
1.24 ± 0.16

^aOf the total 2903 NOB-derived distance restraints, only 341 were obtained by using ARIA program, of which 122 are classified as ambiguous NOEs. The latter resonance signals in the spectra match with more than one proton atom in both the chemical shift assignment and the final NMR structures

^bThe Lennard-Jones potential was not used during any refinement stage.

^CNone of these final structures exhibit NOE-derived distance restraint violations greater than 0.5 Å or dihedral angle restraint violations greater than 5°.

The Tat AcK50 peptide adopts an extended conformation and lies between the ZA and BC loops (FIG. 9). The acetyl-lysine side-chain intercalates deep into a preformed hydrophobic and aromatic cavity located between the ZA and BC loops opposite to the N- and C-termini, and interacts extensively with residues V752, Y760,1764, Y802, and Y809. While the peptide residues S(AcK−4), K(AcK+1), R(AcK+2), R(AcK+5) do not interact directly with the protein, the residues Y(AcK−3), G(AcK−2), R(AcK−1), R(AcK+3), and Q(AcK+4) showed numerous intermolecular NOEs with the protein. Particularly, Y(AcK−3) and Q(AcK+4) form extensive contacts with V763 and E756, respectively, suggesting that these two residues contribute significantly to specificity of the bromodomain/Tat recognition.

To identify the amino acid residues of the P/CAF bromodomain that are important for complex formation, mutant proteins were tested for binding to the biotinylated and lysine-acetylated Tat peptide that is immobilized onto streptavidin agarose (FIG. 10A). As expected, proteins containing alanine point mutation at the residue Y809, Y802, V752, or F748, which interact directly with the acetyl-lysine residue, showed nearly complete loss or significantly reduced binding to the Tat peptide. Moreover, when the residue V763 or E756 was mutated to alanine, a nearly complete loss in binding to the Tat AcK5O peptide was observed, indicating that these two amino acid residues provide essential contributions to the Tat recognition by interacting with the residues flanking the acetyl-lysine. The results from the mutational analysis agree with the observations of intermolecular NOEs in the NMR spectra.

To further determine Tat sequence preference for P/CAF interaction, various mutant peptides were synthesized and their binding to the P/CAF bromodomain tested in a competition assay by using a western blot with the antibody against the GST-fusion bromodomain (FIG. 10B). Because of high sensitivity of this detection method, the binding assay was performed at protein concentration (˜10 μM) much lower than that in the NMR binding studies, which ensured specificity of protein-peptide interactions. In agreement with the binding results described above (e.g., see FIGS. 5A-5B, 6A-6D, 7, and 8A-8B), lysine-acetylated peptides derived from acetylation sites at K50 or K28 in Tat, or from histone H4 at K16 showed almost no competition with the Tat AcK50 peptide in binding to the P/CAF bromodomain, confirming that the latter interaction is tight and specific. Additionally, while substitution of residue R(AcK−1), K(AcK+1), R(AcK+2), or R(AcK+3) to alanine slightly weakened Tat peptide binding to the bromodomain, mutation of Y(AcK-3) or Q(AcK+4) resulted in significant loss in binding to the protein. These data can be explained by the observation of extensive pair-wise interactions between Y(AcK-3) and V763, and between Q(AcK+4) and E756, which agrees perfectly with the site-directed mutatagenesis results obtained with the protein (FIG. 10A). Together, these results demonstrate that the specificity of P/CAF bromodomain and acetylated Tat complex formation is achieved through specific interactions with acetyl-lysine as well as amino acid residues at (AcK−3) and (AcK+4) positions.

The HIV-1 Tat is a versatile protein and elicits many cellular functions. In addition to its lysine-acetylation and interaction with P/CAF as disclosed herein, this portion of arginine-rich motif (named ARM) has also been shown to interact with the TAR RNA element as well as protein nuclear localization, particularly involving arginine52 and arginine53. The findings disclosed herein that are based on the detailed structural and mutational analyses indicate that the lysine-acetylated Tat specifically is associated with P/CAF via a bromodomain interaction in vivo, and that this interaction is important for transactivation activity of Tat in cells. Furthermore, the data disclosed herein reveal that in addition to the acetylated-lysine (K50) the flanking residues, tyrosine (AcK−3) and glutamine at (AcK+4) positions in Tat are also uniquely important for the specificity of the Tat and P/CAF bromodomain recognition, but not with its other functions. This new information is extremely useful in applying mutational analysis in vivo studies to further elucidate the biological importance of the Tat-P/CAF association in molecular mechanisms by which Tat transactivates gene transcription of HIV-1 via chromatin remodeling.

The present invention is not to be limited in scope by the specific embodiments described herein. Indeed, various modifications of the invention in addition to those described herein will become apparent to those skilled in the art from the foregoing description and the accompanying figures. Such modifications are intended to fall within the scope of the appended claims.

It is further to be understood that all base sizes or amino acid sizes, and all molecular weight or molecular mass values, given for nucleic acids or polypeptides are approximate, and are provided for description.

Various publications are cited herein, the disclosures of which are hereby incorporated by reference herein in their entireties.

TABLE 1

NMR Chemical Shift Assignment of the P/CAF

Bromodomain

RES_ID
715
RES_ID
775

RES_TYPE
GLY
RES_TYPE
GLU

SPIN_—
1
SPIN_SYSTEM_ID
61

SYSTEM_ID

HETEROGENEITY
100
HETEROGENEITY
100

END_RES_DEF

N
124.471000

RES_ID
716
HN
8.150000

RES_TYPE
SER
CA
59.570000

SPIN_—
2
HA
4.045000

SYSTEM_ID

HETEROGENEITY
100
CB
29.280000

END_RES_DEF

HB1
2.246000

RES_ID
717
HB2
2.063000

RES_TYPE
HIS
CG
36.443000

SPIN_—
3
HG1
2.345000

SYSTEM_ID

HETEROGENEITY
100
HG2
2.176000

END_RES_DEF

END_RES_DEF

RES_ID
718
RES_ID
776

RES_TYPE
MET
RES_TYPE
ARG

SPIN_—
4
SPIN_SYSTEM_ID
62

SYSTEM_ID

HETEROGENEITY
100
HETEROGENEITY
100

END_RES_DEF

N
120.372000

RES_ID
719
HN
8.391000

RES_TYPE
SER
CA
60.676000

SPIN_—
5
HA
3.869000

SYSTEM_ID

HETEROGENEITY
100
CB
30.385000

END_RES_DEF

HB1
2.047000

RES_ID
720
HB2
1.076000

RES_TYPE
LYS
CG
29.284000

SPIN_—
6
HG1
1.722000

SYSTEM_ID

HETEROGENEITY
100
HG2
0.877000

CA
56.296000
CD
44.154000

HA
4.361000
HD1
2.578000

CB
33.140000
HD2
2.051000

HB1
1.882000
END_RES_DEF

HB2
1.684000
RES_ID
777

CG
25.430000
RES_TYPE
LEU

HG1
1.585000
SPIN_SYSTEM_ID
63

HG2
1.433000
HETEROGENEITY
100

CD
29.834000
N
120.208000

HD1
1.703000
HN
8.856000

CE
41.960000
CA
58.470000

HE1
3.003000
HA
4.691000

END_RES_DEF

CB
42.621000

RES_ID
721
HB1
2.295000

RES_TYPE
GLU
HB2
1.925000

SPIN_—
7
CG
27.080000

SYSTEM_ID

HETEROGENEITY
100
HG
1.832000

N
122.990000
CD1
25.429000

HN
8.317000
HD1#
1.067000

CA
54.620000
CD2
27.081000

HA
4.540000
HD2#
0.871000

CB
29.830000
END_RES_DEF

HB1
2.024000
RES_ID
778

HB2
1.893000
RES_TYPE
LYS

CG
35.893000
SPIN_SYSTEM_ID
64

HG1
2.271000
HETEROGENEITY
100

END_RES_DEF

N
120.372000

RES_ID
722
HN
7.958000

RES_TYPE
PRO
CA
59.574000

SPIN_—
8
HA
4.333000

SYSTEM_ID

HETEROGENEITY
100
CB
32.588000

CA
63.430000
HB1
2.055000

HA
4.393000
CG
24.878000

CB
32.030000
HG1
1.596000

HB1
2.224000
CD
29.835000

HB2
1.880000
HD1
1.804000

CG
27.630000
CE
41.951000

HG1
2.028000
HE1
2.990000

CD
50.760000
END_RES_DEF

HD2
3.656000
RES_ID
779

HD1
3.800000
RES_TYPE
ASN

END_RES_DEF

SPIN_SYSTEM_ID
65

RES_ID
723
HETEROGENEITY
100

RES_TYPE
ARG
N
116.108000

SPIN_—
9
HN
7.947000

SYSTEM_ID

HETEROGENEITY
100
CA
53.510000

N
121.192000
HA
4.771000

HN
8.416000
CB
38.095000

CA
63.430000
HB1
3.019000

HA
4.331000
HB2
2.773000

CB
30.930000
ND2
112.665000

HB1
1.815000
HD21
7.598000

HB2
1.762000
HD22
6.969000

CG
27.630000
END_RES_DEF

HG1
1.681000
RES_ID
780

CD
43.603000
RES_TYPE
ARG

HD1
3.161000
SPIN_SYSTEM_ID
66

END_RES_DEF

HETEROGENEITY
100

RES_ID
724
N
114.141000

RES_TYPE
ASP
HN
8.158000

SPIN_—
10
CA
56.821000

SYSTEM_ID

HETEROGENEITY
100
HA
4.405000

N
122.012000
CB
25.429000

HN
8.273000
HB1
2.097000

CA
52.415000
HB2
2.022000

HA
4.874000
CG
27.632000

CB
41.400000
HG1
1.539000

HB1
2.754000
HG2
1.534000

HB2
2.692000
CD
43.050000

END_RES_DEF

HD1
3.060000

RES_ID
725
HD2
3.024000

RES_TYPE
PRO
END_RES_DEF

SPIN_—
11
RES_ID
781

SYSTEM_ID

HETEROGENEITY
100
RES_TYPE
TYR

CA
65.080000
SPIN_SYSTEM_ID
67

HA
4.329000
HETEROGENEITY
100

CB
32.590000
N
116.764000

HB1
2.326000
HN
8.222000

HB2
1.973000
CA
60.125000

CG
27.632000
HA
4.064000

HG1
2.028000
CB
40.850000

CD
51.310000
HB1
2.948000

HD1
3.866000
HB2
2.055000

END_HES_DEF

CD1
134.350000

RES_ID
726
HD1
6.285000

RES_TYPE
ASP
CE1
118.930000

SPIN_—
12
HE1
6.709000

SYSTEM_ID

HETEROGENEITY
100
END_RES_DEF

N
119.716000
RES_ID
782

HN
8.397000
RES_TYPE
TYR

CA
55.720000
SPIN_SYSTEM_ID
68

HA
4.692000
HETEROGENEITY
100

CB
40.550000
N
114.633000

HB1
2.792000
HN
8.014000

HB2
2.730000
CA
57.920000

END_RES_DEF

HA
4.528000

RES_ID
727
CB
36.443000

RES_TYPE
GLN
HB1
3.062000

SPIN_—
13
HB2
2.907000

SYSTEM_ID

HETEROGENEITY
100
CD1
133.248000

N
121.356000
HD1
7.175000

HN
8.196000
CE1
120.582000

CA
55.920000
HE1
7.286000

HA
4.163000
END_RES_DEF

CB
28.730000
RES_ID
783

HB1
2.148000
RES_TYPE
VAL

CG
34.240000
SPIN_SYSTEM_ID
69

HG1
2.524000
HETEROGENEITY
100

HG2
2.371000
N
115.780000

END_RES_DEF

HN
7.698000

RES_ID
728
CA
62.330000

RES_TYPE
LEU
HA
4.083000

SPIN_—
14
CB
31.500000

SYSTEM_ID

HETEROGENEITY
100
HB
2.321000

N
121.356000
CG1
21.570000

HN
8.210000
HG1#
0.944000

CA
58.473000
CG2
18.820000

HA
4.045000
HG2#
0.823000

CB
41.400000
END_RES_DEF

HB1
1.847000
RES_ID
784

HB2
1.555000
RES_TYPE
SER

CG
27.080000
SPIN_SYSTEM_ID
70

HG
1.480000
HETEROGENEITY
100

CD1
25.970000
N
111.353000

HD1#
0.794000
HN
7.415000

CD2
23.226000
CA
55.719000

HD2#
0.786000
HA
4.741000

END_RES_DEF

CB
66.183000

RES_ID
729
HB1
4.200000

RES_TYPE
TYR
HB2
3.750000

SPIN_—
15
END_RES_DEF

SYSTEM_ID

HETEROGENEITY
100
RES_ID
785

N
119.060000
RES_TYPE
LYS

HN
8.021000
SPIN_SYSTEM_ID
71

CA
62.320000
HETEROGENEITY
100

HA
4.038000
CA
59.030000

CB
38.640000
HA
4.021000

HB1
3.211000
CB
31.590000

HB2
3.024000
END_RES_DEF

CD1
134.350000
RES_ID
786

HD1
7.053000
RES_TYPE
LYS

CE1
119.481000
SPIN_SYSTEM_ID
72

HE1
6.882000
HETEROGENEITY
100

END_RES_DEF

N
120.208000

RES_ID
730
HN
8.244000

RES_TYPE
SER
CA
59.720000

SPIN_—
16
HA
4.062000

SYSTEM_ID

HETEROGENEITY
100
CB
30.385000

N
112.173000
HB1
1.779000

HN
8.167000
CG
24.530000

HA
3.920000
CD
28.182000

HB1
3.995000
HD1
1.680000

END_RES_DEF

CE
41.670000

RES_ID
731
HE1
3.137000

RES_TYPE
THR
HE2
3.045000

SPIN_—
17
END_RES_DEF

SYSTEM_ID

HETEROGENEITY
100
RES_ID
787

N
120.372000
RES_TYPE
LEU

HN
8.059000
SPIN_SYSTEM_ID
73

CA
66.730000
HETEROGENEITY
100

HA
3.924000
N
118.732000

CB
68.930000
HN
7.422000

HB
4.247000
CA
57.922000

CG2
21.570000
HA
4.213000

HG2#
1.142000
CB
43.603000

END_RES_DEF

HB1
1.996000

RES
732
HB2
1.891000

RES_ID TYPE
LEU
CG
27.632000

SPIN_—
18
HG
1.794000

SYSTEM_ID

HETEROGENEITY
100
CD1
25.979000

N
120.536000
HD1#
0.924000

HN
8.460000
CD2
23.776000

CA
57.920000
HD2#
0.895000

HA
3.289000
END_RES_DEF

CB
39.750000
RES_ID
788

HB1
1.532000
RES_TYPE
PHE

HB2
0.294000
SPIN_SYSTEM_ID
74

CG
24.880000
HETEROGENEITY
100

HG
1.683000
N
118.732000

CD1
25.429000
HN
6.928000

HD1#
0.469000
CA
60.676000

CD2
19.921000
HA
3.763000

HD2#
−0.193000
CB
39.750000

END_RES_DEF

HB1
2.945000

RES_ID
733
HB2
2.381000

RES_TYPE
LYS
CD1
133.799000

SPIN_—
19
HD1
6.400000

SYSTEM_ID

HETEROGENEITY
100
CE1
131.596000

N
118.568000
HE1
6.928000

HN
8.563000
END_RES_DEF

CA
60.125000
RES_ID
789

HA
3.679000
RES_TYPE
MET

CB
32.588000
SPIN_SYSTEM_ID
75

HB1
1.729000
HETEROGENEITY
100

HB2
1.360000
N
116.272000

CG
24.880000
HN
8.489000

HG1
1.280000
CA
59.020000

CD
29.835000
HA
3.911000

HD1
1.585000
CB
32.590000

CE
41.960000
HB1
2.318000

HE1
2.918000
HB2
2.208000

END_RES_DEF

CG
33.140000

RES_ID
734
HG1
2.942000

RES_TYPE
SER
HG2
2.611000

SPIN_—
20
CE
17.168000

SYSTEM_ID

HETEROGENEITY
100
HE#
2.027000

N
113.157000
END_RES_DEF

HN
7.540000
RES_ID
790

CA
61.227000
RES_TYPE
ALA

HA
4.281000
SPIN_SYSTEM_ID
76

CB
63.879000
HETEROGENEITY
100

HB1
4.060000
N
119.716000

END_RES_DEF

HN
8.000000

RES_ID
735
CA
55.170000

RES_TYPE
ILE
HA
4.084000

SPIN_—
21
CB
18.270000

SYSTEM_ID

HETEROGENEITY
100
HB#
1.485000

N
120.700000
END_RES_DEF

HN
7.951000
RES_ID
791

CA
65.080000
RES_TYPE
ASP

HA
3.786000
SPIN_SYSTEM_ID
77

CB
38.095000
HETEROGENEITY
100

HB
1.879000
N
119.716000

CG1
28.733000
HN
7.376000

HG11
1.748000
CA
57.371000

HG12
1.052000
HA
4.371000

CG2
17.168000
CB
38.646000

HG2#
1.003000
HB1
2.730000

CD1
13.863000
END_RES_DEF

HD1#
0.619000
RES_ID
792

END_RES_DEF

RES_TYPE
LEU

RES_ID
736
SPIN_SYSTEM_ID
78

RES_TYPE
LEU
HETEROGENEITY
100

SPIN_—
22
N
119.550000

SYSTEM_ID

HETEROGENEITY
100
HN
7.363000

N
119.880000
CA
57.922000

HN
8.841000
HA
3.398000

CA
58.473000
CB
40.299000

HA
4.090000
HB1
0.757000

CB
41.950000
HB2
0.442000

HB1
2.090000
CG
27.632000

HB2
1.703000
HG
0.707000

CG
27.330000
CD1
24.327000

HG
1.759000
HD1#
0.184000

CD1
26.530000
CD2
25.979000

HD1#
1.061000
HD2#
0.061000

CD2
23.776000
END_RES_DEF

HD2#
0.977000
RES_ID
793

END_RES_DEF

RES_TYPE
GLN

RES_ID
737
SPIN_SYSTEM_ID
79

RES_TYPE
GLN
HETEROGENEITY
100

SPIN_—
23
N
114.141000

SYSTEM_ID

HETEROGENEITY
100
HN
8.069000

N
117.256000
CA
59.024000

HN
8.505000
HA
3.804000

CA
59.020000
CB
28.733000

HA
4.032000
HB1
2.157000

CB
28.182000
HB2
2.097000

HB1
2.327000
CG
35.342000

HB2
2.263000
HG1
2.460000

CG
34.240000
NE2
111.353000

HG1
2.536000
HE21
7.319000

HG2
2.461000
HE22
7.222000

END_RES_DEF

END_RES_DEF

RES_ID
738
RES_ID
794

RES_TYPE
GLN
RES_TYPE
ARG

SPIN_—
24
SPIN_SYSTEM_ID
80

SYSTEM_ID

HETEROGENEITY
100
HETEROGENEITY
100

N
118.896000
N
118.568000

HN
8.033000
HN
7.382000

CA
59.574000
CA
58.473000

HA
4.196000
HA
4.078000

CB
29.835000
CB
29.835000

HB1
2.482000
HB1
1.973000

HB2
2.469000
HB2
1.886000

CG
35.342000
CG
27.080000

HG1
2.840000
HG1
1.742000

HG2
2.467000
CD
43.603000

NE2
110.369000
HD1
3.390000

HE21
7.022000
HD2
3.325000

HE22
6.916000
END_RES_DEF

END_RES_DEF

RES_ID
795

RES_ID
739
RES_TYPE
VAL

RES_ID TYPE
VAL
SPIN_SYSTEM_ID
81

SPIN_—
25
HETEROGENEITY
100

HETEROGENEITY
100
N
117.912000

N
119.716000
HN
7.013000

HN
8.526000
CA
66.730000

CA
67.830000
HA
3.039000

HA
3.844000
CB
30.930000

CB
32.030000
HB
1.435000

HB
2.384000
CG1
22.124000

CG1
23.330000
HG1#
0.479000

HG1#
1.183000
CG2
21.573000

CG2
22.120000
HG2#
0.142000

HG2#
1.033000
END_RES_DEF

END_RES_DEF

RES_ID
796

RES_ID
740
RES_TYPE
PHE

RES_TYPE
LYS
SPIN_SYSTEM_ID
82

SPIN_—
26
HETEROGENEITY
100

HETEROGENEITY
100
N
116.928000

N
114.633000
HN
6.357000

HN
8.572000
CA
58.470000

CA
59.574000
HA
4.161000

HA
3.886000
CB
38.096000

CB
32.380000
HB1
3.090000

HB1
1.873000
HB2
2.944000

HG1
1.022000
CD1
132.147000

HD1
1.520000
HD1
6.641000

END_RES_DEF

CE1
131.596000

RES_ID
741
HE1
6.456000

RES_TYPE
SER
CZ
129.393000

SPIN_—
27
HZ
6.406000

SYSTEM_ID

HETEROGENEITY
100
END_RES_DEF

N
110.369000
RES_ID
797

HN
7.557000
RES_TYPE
THR

CA
59.024000
SPIN_SYSTEM_ID
83

HA
4.448000
HETEROGENEITY
100

CB
63.980000
N
115.289000

HB1
4.004000
HN
9.047000

END_RES_DEF

CA
66.734000

RES_ID
742
HA
3.838000

RES_TYPE
HIS
CB
68.380000

SPIN_—
28
HB
4.210000

SYSTEM_ID

HETEROGENEITY
100
CG2
22.120000

N
125.619000
HG2#
1.296000

HN
7.536000
END_RES_DEF

CA
58.473000
RES_ID
798

HA
3.967000
RES_TYPE
ASN

CB
32.588000
SPIN_SYSTEM_ID
84

HB1
2.990000
HETEROGENEITY
100

HB2
2.799000
N
120.700000

CD2
118.930000
HN
8.846000

HD2
4.978000
CA
55.170000

CE1
138.755000
HA
4.315000

HE1
7.522000
CB
38.090000

END_RES_DEF

HB1
2.985000

RES_ID
743
HB2
2.661000

RES_TYPE
GLN
END_RES_DEF

SPIN_—
29
RES_ID
799

SYSTEM_ID

HETEROGENEITY
100
RES_TYPE
CYS

N
128.571000
SPIN_SYSTEM_ID
85

HN
8.543000
HETEROGENEITY
100

CA
59.125000
N
116.928000

HA
4.209000
HN
6.893000

CB
29.834000
CA
62.157000

HB1
2.111000
HA
4.405000

CG
33.690000
CB
26.530000

HG1
2.390000
HB1
3.304000

NE2
112.173000
HB2
3.032000

HE21
7.581000
END_RES_DEF

HE22
6.870000
RES_ID
800

END_RES_DEF

RES_TYPE
LYS

RES_ID
744
SPIN_SYSTEM_ID
86

RES_TYPE
SER
HETEROGENEITY
100

SPIN_—
30
N
116.764000

SYSTEM_ID

HETEROGENEITY
100
HN
7.799000

N
119.060000
CA
58.473000

HN
11.668000
HA
4.204000

CA
60.125000
CB
32.588000

HA
4.838000
HB1
1.743000

CB
63.980000
CG
25.429000

HB1
4.334000
HG1
1.313000

HB2
3.926000
HG2
0.138000

END_RES_DEF

CD
29.835000

RES_ID
745
HD1
1.291000

RES_TYPE
ALA
CE
41.400000

SPIN_—
31
HE1
2.486000

SYSTEM_ID

HETEROGENEITY
100
HE2
2.421000

N
117.584000
END_RES_DEF

HN
7.868000
RES_ID
801

CA
53.510000
RES_TYPE
GLU

HA
4.396000
SPIN_SYSTEM_ID
87

CB
20.470000
HETEROGENEITY
100

HB#
1.688000
N
117.912000

END_RES_DEF

HN
7.945000

RES_ID
746
CA
57.992000

RES_TYPE
TRP
HA
4.250000

SPIN_—
32
CB
30.385000

SYSTEM_ID

HETEROGENEITY
100
HB1
2.172000

N
116.600000
HB2
2.003000

HN
7.135000
CG
36.994000

CA
60.691000
HG1
2.407000

HA
4.368000
HG2
2.203000

CB
27.630000
END_RES_DEF

HB1
3.594000
RES_ID
802

HB2
3.351000
RES_TYPE
TYR

CD1
128.843000
SPIN_SYSTEM_ID
88

HD1
7.897000
HETEROGENEITY
100

NE1
110.861000
N
116.60000

HE1
10.474000
HN
7.744000

CE3
122.234000
CA
60.676000

HE3
7.336000
HA
4.369000

CZ2
116.177000
CB
41.400000

HZ2
7.382000
HB1
2.929000

CZ3
123.336000
CD1
134.901000

HZ3
7.197000
HD1
6.989000

CH2
126.089000
CE1
119.481000

HH2
7.150000
HE1
6.823000

END_RES_DEF

END_RES_DEF

RES_ID
747
RES_ID
803

RES_TYPE
PRO
RES_TYPE
ASN

SPIN_—
33
SPIN_SYSTEM_ID
89

SYSTEM_ID

HETEROGENEITY
100
HETEROGENEITY
100

CA
64.531000
N
115.944000

HA
3.756000
HN
8.241000

CB
29.835000
CA
51.864000

HB1
0.487000
HA
5.024000

HB2
−0.783000
CB
40.849000

CG
26.530000
HB1
3.069000

HG1
0.233000
HB2
2.907000

HG2
−0.931000
ND2
118.732000

CD
50.212000
HD21
8.316000

HD2
1.567000
HD22
7.809000

HD1
2.177000
END_RES_DEF

END_RES_DEF

RES_ID
804

RES_ID
748
RES_TYPE
ALA

RES_TYPE
PHE
SPIN_SYSTEM_ID
90

SPIN_—
34
HETEROGENEITY
100

HETEROGENEITY
100
END_RES_DEF

N
113.321000
RES_ID
805

HN
7.585000
RES_TYPE
PRO

CA
55.719000
SPIN_SYSTEM_ID
91

HA
4.930000
HETEROGENEITY
100

CB
39.202000
CA
63.980000

HB1
3.491000
HA
2.422000

HB2
2.532000
HB1
1.949000

CD1
133.248000
HG1
1.648000

HD1
7.099000
HG2
1.558000

HE1
7.174000
CD
50.762000

HZ
7.296000
HD2
3.601000

END_RES_DEF

HD1
3.706000

RES_ID
749
END_RES_DEF

RES_TYPE
MET
RES_ID
806

SPIN_—
35
RES_TYPE
GLU

SYSTEM_ID

HETEROGENEITY
100
SPIN_SYSTEM_ID
92

N
117.748000
HETEROGENEITY
100

HN
7.115000
N
112.993000

CA
56.820000
HN
8.246000

HA
4.286000
CA
56.820000

CB
32.590000
HA
4.185000

HB1
2.233000
CB
28.733000

HB2
2.174000
HB1
2.095000

CG
33.140000
HB2
1.973000

HG1
2.851000
CG
36.270000

CE
17.168000
HG1
2.200000

HE#
2.175000
END_RES_DEF

END_RES_DEF

RES_ID
807

RES_ID
750
RES_TYPE
SER

RES_TYPE
GLU
SPIN_SYSTEM_ID
93

SPIN_—
36
HETEROGENEITY
100

HETEROGENEITY
100
N
115.780000

N
113.813000
HN
8.112000

HN
7.709000
CA
58.473000

CA
53.516000
HA
4.406000

HA
4.849000
CB
66.183000

CB
31.487000
HB1
4.393000

HB1
2.091000
HB2
4.157000

HB2
1.730000
END_RES_DEF

CG
35.893000
RES_ID
808

HG1
2.164000
RES_TYPE
GLU

END_RES_DEF

SPIN_SYSTEM_ID
94

RES_ID
751
HETEROGENEITY
100

RES_TYPE
PRO
N
123.488000

SPIN_—
37
HN
9.061000

SYSTEM_ID

HETEROGENEITY
100
CA
59.574000

CA
62.879000
HA
4.232000

HA
4.242000
CB
29.835000

CB
32.040000
HB1
2.169000

HB1
2.328000
CG
36.443000

HB2
1.683000
HG1
2.528000

CG
27.080000
END_RES_DEF

HG1
2.126000
RES_ID
809

HG2
1.978000
RES_TYPE
TYR

CD
50.763000
SPIN_SYSTEM_ID
95

HD1
3.670000
HETEROGENEITY
100

END_RES_DEF

N
116.436000

RES_ID
752
HN
8.072000

RES_ID TYPE
VAL
CA
60.120000

SPIN_—
38
HA
3.834000

SYSTEM_ID

HETEROGENEITY
100
CB
37.550000

N
124.450000
HB1
3.018000

HN
8.124000
HB2
2.738000

CA
63.430000
CD1
132.698000

HA
3.553000
HD1
6.891000

CB
32.580000
CE1
120.032000

HB
1.145000
HE1
7.011000

CG1
21.573000
END_RES_DEF

HG1#
0.464000
RES_ID
810

CG2
21.573000
RES_TYPE
TYR

HG2#
0.169000
SPIN_SYSTEM_ID
96

END_RES_DEF

HETEROGENEITY
100

RES_ID
753
N
119.880000

RES_TYPE
LYS
HN
7.356000

SPIN_—
39
CA
61.777000

SYSTEM_ID

HETEROGENEITY
100
HA
3.819000

N
129.883000
CB
40.300000

HN
9.045000
HB1
3.390000

CA
56.310000
HB2
2.500000

HA
4.370000
CD1
136.553000

CB
32.880000
HD1
7.094000

HB1
1.873000
CE1
119.481000

HG1
1.435000
HE1
7.000000

HD1
1.673000
END_RES_DEF

HE1
2.985000
RES_ID
811

END_RES_DEF

RES_TYPE
LYS

RES_ID
754
SPIN_SYSTEM_ID
97

RES_TYPE
ARG
HETEROGENEITY
100

SPIN_—
40
N
118.076000

SYSTEM_ID

HETEROGENEITY
100
HN
8.072000

N
120.208000
CA
60.676000

HN
8.054000
HA
4.204000

END_RES_DEF

CB
32.588000

RES_ID
755
HB1
2.091000

RES_TYPE
THR
CG
25.979000

SPIN_—
41
HG1
1.819000

SYSTEM_ID

HETEROGENEITY
100
HG2
1.582000

CA
63.430000
CD
29.834000

HA
4.038000
HD1
1.813000

CB
68.380000
CE
41.963000

HB
4.293000
HE1
2.962000

CG2
22.670000
END_RES_DEF

HG2#
1.267000
RES_ID
812

END_RES_DEF

RES_TYPE
CYS

RES_ID
756
SPIN_SYSTEM_ID
98

RES_TYPE
GLU
HETEROGENEITY
100

SPIN_—
42
N
116.764000

SYSTEM_ID

HETEROGENEITY
100
HN
8.520000

N
118.732000
CA
65.087000

HN
7.209000
HA
4.202000

CA
56.270000
CB
27.080000

HA
4.448000
HB1
3.396000

CB
30.930000
HB2
3.056000

HB1
2.174000
END_RES_DEF

HB2
2.000000
RES_ID
813

CG
36.440000
RES_TYPE
ALA

HG1
2.292000
SPIN_SYSTEM_ID
98

END_RES_DEF

HETEROGENEITY
100

RES_ID
757
N
120.700000

RES_TYPE
ALA
HN
8.315000

SPIN_—
43
CA
55.563000

SYSTEM_ID

HETEROGENEITY
100
HA
3.834000

N
122.504000
CB
18.270000

HN
7.379000
HB#
1.597000

CA
50.220000
END_RES_DEF

HA
4.937000
RES_ID
814

CB
19.370000
RES_TYPE
ASN

HB#
1.082000
SPIN_SYSTEM_ID
100

END_RES_DEF

HETEROGENEITY
100

RES_ID
758
N
115.453000

RES_TYPE
PRO
HN
8.068000

SPIN_—
44
CA
56.270000

SYSTEM_ID

HETEROGENEITY
100
HA
4.329000

CA
65.080000
CB
38.646000

HA
4.496000
HB1
2.877000

CB
31.487000
HB2
2.834000

HB1
2.374000
END_RES_DEF

HB2
2.027000
RES_ID
815

CG
27.632000
RES_TYPE
ILE

HG1
2.122000
SPIN_SYSTEM_ID
101

HG2
2.038000
HETEROGENEITY
100

CD
50.212000
N
119.880000

HD2
3.515000
HN
7.912000

HD1
3.717000
CA
65.080000

END_RES_DEF

HA
3.646000

RES_ID
759
CB
39.197000

RES_TYPE
GLY
HB
1.924000

SPIN_—
45
CG1
29.284000

SYSTEM_ID

HETEROGENEITY
100
HG11
1.882000

END_RES_DEF

HG12
1.201000

RES_ID
760
CG2
17.718000

RES_TYPE
TYR
HG2#
1.017000

SPIN_—
46
CD1
13.863000

SYSTEM_ID

HETEROGENEITY
100
HD1#
0.940000

N
122.504000
END_RES_DEF

HN
7.945000
RES_ID
816

CA
62.328000
RES_TYPE
LEU

HA
3.536000
SPIN_SYSTEM_ID
102

CB
39.750000
HETEROGENEITY
100

HB1
2.689000
N
122.504000

HB2
2.487000
HN
8.556000

CD1
133.799000
CA
56.820000

HD1
5.120000
HA
3.670000

CE1
118.379000
CB
41.951000

HE1
6.070000
HB1
1.405000

END_RES_DEF

HB2
1.199000

RES_ID
761
CG
26.530000

RES_TYPE
TYR
HG
1.580000

SPIN_—
47
CD1
24.327000

SYSTEM_ID

HETEROGENEITY
100
HD1#
0.701000

N
113.157000
CD2
25.429000

HN
8.225000
HD2#
0.696000

CA
60.676000
END_RES_DEF

HA
4.101000
RES_ID
817

CB
37.550000
RES_TYPE
GLU

HB1
3.189000
SPIN_SYSTEM_ID
103

HB2
2.801000
HETEROGENEITY
100

CD1
134.901000
N
120.700000

HD1
7.342000
HN
8.073000

CE1
118.930000
CA
60.125000

HE1
6.646000
HA
3.185000

END_RES_DEF

CB
29.835000

RES_ID
762
HB1
1.720000

RES_TYPE
GLU
HB2
1.310000

SPIN_—
48
CG
37.545000

SYSTEM_ID

HETEROGENEITY
100
HG1
2.001000

N
117.912000
HG2
1.922000

HN
7.702000
END_RES_DEF

CA
57.922000
RES_ID
818

HA
4.209000
RES_TYPE
LYS

CB
29.480000
SPIN_SYSTEM_ID
104

HB1
2.086000
HETEROGENEITY
100

CG
37.545000
N
117.584000

HG1
2.325000
HN
7.145000

HG2
2.265000
CA
59.688000

END_RES_DEF

HA
4.075000

RES_ID
763
CB
32.588000

RES_TYPE
VAL
HB1
1.929000

SPIN_—
49
CG
25.644000

SYSTEM_ID

HETEROGENEITY
100
HG1
1.492000

N
115.453000
CD
29.284000

HN
7.135000
HD1
1.681000

CA
63.430000
CE
41.963000

HA
4.077000
HE1
2.964000

CB
33.690000
END_RES_DEF

HB
2.015000
RES_ID
819

CG1
21.020000
RES_TYPE
PHE

HG1#
1.045000
SPIN_SYSTEM_ID
105

CG2
21.574000
HETEROGENEITY
100

HG2#
0.991000
N
121.028000

END_RES_DEF

HN
7.869000

RES_ID
764
CA
61.230000

RES_TYPE
ILE
HA
4.328000

SPIN_—
50
CB
39.200000

SYSTEM_ID

HETEROGENEITY
100
HB1
3.133000

N
122.832000
HB2
3.047000

HN
7.947000
CD1
133.800000

CA
57.920000
HD1
7.180000

HA
3.916000
END_RES_DEF

CB
34.240000
RES_ID
820

HB
1.205000
RES_TYPE
PHE

CG1
24.878000
SPIN_SYSTEM_ID
106

HG11
0.798000
HETEROGENEITY
100

HG12
0.216000
N
120.700000

CG2
16.617000
HN
9.126000

HG2#
0.380000
CA
60.691000

CD1
9.457000
HA
3.961000

HD1#
0.537000
CB
38.640000

END_RES_DEF

HB1
3.289000

RES_ID
765
HB2
3.067000

RES_TYPE
ARG
CD1
133.248000

SPIN_—
51
HD1
6.904000

SYSTEM_ID

HETEROGENEITY
100
CE1
132.698000

N
125.291000
HE1
7.011000

HN
7.749000
END_RES_DEF

CA
57.371000
RES_ID
821

HA
3.875000
RES_TYPE
PHE

CB
30.936000
SPIN_SYSTEM_ID
107

HB1
1.388000
HETEROGENEITY
100

HB2
1.211000
N
118.076000

CG
27.080000
HN
8.359000

HG1
1.319000
CA
61.770000

HG2
1.173000
HA
3.840000

CD
43.052000
CB
38.090000

HD1
2.971000
HB1
3.064000

END_RES_DEF

CD1
133.248000

RES_ID
766
HD1
7.175000

RES TYPE
SER
CE1
132.698000

SPIN_—
52
HE1
7.294000

SYSTEM_ID

HETEROGENEITY
100
CZ
131.596000

N
116.600000
HZ
7.430000

HN
8.387000
END_RES_DEF

CA
54.618000
RES_ID
822

HA
4.984000
RES_TYPE
SER

CB
38.640000
SPIN_SYSTEM_ID
108

HB1
3.034000
HETEROGENEITY
100

HB2
2.907000
N
114.961000

END_RES_DEF

HN
7.906000

RES_ID
767
CA
61.773000

RES_TYPE
PRO
HA
4.200000

SPIN_—
53
CB
62.879000

SYSTEM_ID

HETEROGENEITY
100
HB1
4.007000

CA
63.429000
END_RES_DEF

HA
4.083000
RES_ID
823

CB
32.588000
RES_TYPE
LYS

HB1
2.209000
SPIN_SYSTEM_ID
109

CG
28.180000
HETEROGENEITY
100

HG1
2.177000
N
120.864000

HG2
1.883000
HN
7.938000

CD
50.763000
CA
56.820000

HD2
3.390000
HA
4.008000

HD1
3.623000
CB
31.487000

END_RES_DEF

HB1
1.730000

RES_ID
768
HB2
1.567000

RES_TYPE
MET
CG
23.226000

SPIN_—
54
HG1
0.833000

SYSTEM_ID

HETEROGENEITY
100
CD
27.080000

N
119.060000
HD1
1.403000

HN
8.430000
CE
42.501000

CA
54.067000
HE1
2.569000

HA
4.935000
HE2
2.422000

CB
31.487000
END_RES_DEF

HB1
1.989000
RES_ID
824

HB2
1.353000
RES_TYPE
ILE

CG
30.930000
SPIN_SYSTEM_ID
110

HG1
2.690000
HETEROGENEITY
100

CE
14.414000
N
116.928000

HE#
1.929000
HN
8.101000

END_RES_DEF

CA
64.530000

RES_ID
769
HA
3.818000

RES_TYPE
ASP
CB
36.990000

SPIN_—
55
HB
1.746000

SYSTEM_ID

HETEROGENEITY
100
CG1
26.530000

N
119.060000
HG11
1.140000

HN
7.365000
HG12
1.073000

CA
53.516000
CG2
18.820000

HA
4.745000
HG2#
0.654000

CB
44.154000
CD1
13.312000

HB1
2.371000
HD1#
0.541000

END_RES_DEF

END_RES_DEF

RES_ID
770
RES_ID
825

RES_TYPE
LEU
RES_TYPE
LYS

SPIN_—
56
SPIN_SYSTEM_ID
111

SYSTEM_ID

HETEROGENEITY
100
HETEROGENEITY
100

N
116.272000
N
122.176000

HN
9.055000
HN
7.546000

CA
57.922000
CA
59.024000

HA
4.036000
HA
4.043000

CB
41.400000
CB
32.360000

HB1
2.095000
HB1
1.879000

HB2
1.395000
HB2
1.757000

CG
27.080000
CG
24.878000

HG
1.713000
HG1
1.390000

CD1
27.080000
HG2
1.302000

HD1#
0.940000
CD
29.284000

CD2
22.675000
HD1
1.633000

HD2#
0.628000
CE
41.400000

END_RES_DEF

HE1
2.913000

RES_ID
771
END_RES_DEF

RES_TYPE
LYS
RES_ID
826

SPIN_—
57
RES_TYPE
GLU

SYSTEM_ID

HETEROGENEITY
100
SPIN_SYSTEM_ID
112

N
128.079000
HETEROGENEITY
100

HN
8.738000
N
121.192000

CA
60.676000
HN
8.063000

HA
4.198000
CA
59.024000

CB
32.037000
HA
3.995000

HB1
2.330000
CB
29.834000

HB2
2.224000
HB1
2.058000

CG
25.280000
CG
36.050000

HG1
1.483000
HG1
2.342000

HG2
1.403000
HG2
2.205000

CD
30.385000
END_RES_DEF

HD1
1.793000
RES_ID
827

HD2
1.696000
RES_TYPE
ALA

CE
41.950000
SPIN_SYSTEM_ID
113

HE1
2.965000
HETEROGENEITY
100

END_RES_DEF

N
117.748000

RES_ID
772
HN
7.620000

RES_TYPE
THR
CA
52.410000

SPIN_—
58
HA
4.291000

SYSTEM_ID

HETEROGENEITY
100
CB
19.920000

N
122.176000
HB#
1.358000

HN
9.445000
END_RES_DEF

CA
67.040000
RES_ID
828

HA
3.845000
RES_TYPE
GLY

CB
67.835000
SPIN_SYSTEM_ID
114

HB
4.090000
HETEROGENEITY
100

CG2
22.124000
N
126.767000

HG2#
1.058000
HN
7.744000

END_RES_DEF

CA
45.902000

RES_ID
773
HA1
4.019000

RES_TYPE
MET
HA2
3.935000

SPIN_—
59
END_RES_DEF

SYSTEM_ID

HETEROGENEITY
100
RES_ID
829

N
117.912000
RES_TYPE
LEU

HN
7.882000
SPIN_SYSTEM_ID
115

CA
60.676000
HETEROGENEITY
100

HA
4.319000
N
117.912000

CB
33.342000
HN
7.742000

HB1
2.093000
CA
55.719000

HB2
1.915000
HA
4.215000

CG
33.139000
CB
43.052000

HG1
2.621000
HB1
1.562000

HG2
2.496000
CG
27.632000

CE
16.620000
HG
1.536000

HE#
1.241000
CD1
23.776000

END_RES_DEF

HD1#
0.711000

RES_ID
774
END_RES_DEF

RES_TYPE
SER
RES_ID
830

SPIN_—
60
RES_TYPE
ILE

SYSTEM_ID

HETEROGENEITY
100
SPIN_SYSTEM_ID
116

N
116.108000
HETEROGENEITY
100

HN
7.958000
N
115.453000

CA
62.879000
HN
7.458000

HA
4.200000
CA
60.676000

CB
62.879000
HA
4.232000

HB1
4.368000
CB
39.748000

HB2
4.040000
HB
1.810000

END_RES_DEF

CG1
27.080000

HG11
1.314000

HG12
0.918000

CG2
17.718000

HG2#
0.815000

CD1
13.312000

HD1#
0.794000

END_RES_DEF

RES_ID
831

RES_TYPE
ASP

SPIN_—
117

SYSTEM_ID

HETEROGENEITY
100

N
123.488000

HN
8.270000

CA
54.620000

HA
4.571000

CB
41.400000

HB1
2.693000

HB2
2.540000

END_RES_DEF

RES_ID
832

RES_TYPE
LYS

SPIN_SYSTEM_ID
118

HETEROGENEITY
100

N
125.450000

HN
7.774000

CA
57.720000

HA
4.082000

CB
33.410000

END_RES_DEF

TABLE 2

Unambiguous NOE-derived Inter-proton Distance Restraints

ASSI {2141}

((segid “BrD” and resid 89 and name HN))

(segid “BrD” and resid 96 and name HD %)

4.200
4.200
1.300 peak
2141
weight
0.11000E+01 volume
0.36756E+02 ppm1
8.857
ppm2
7.704

ASSI {13261}

((segid “BrD” and resid 89 and name HD22))

(segid “BrD” and resid 95 and name HE %)

3.900
3.800
1.600 peak
13261
weight
0.11000E+01 volume
0.50220E+02 ppm1
8.416
ppm2
7.624

ASSI {13271}

((segid “BrD” and resid 89 and name HD21))

(segid “BrD” and resid 95 and name HE %)

4.000
4.000
1.500 peak
13271
weight
0.11000E+01 volume
0.43992E+02 ppm1
8.924
ppm2
7.624

ASSI {8521}

((segid “BrD” and resid 46 and name HN))

(segid “BrD” and resid 47 and name HD %)

3.500
3.100
2.000 peak
8521
weight
0.11000E+01 volume
0.10017E+03 ppm1
8.562
ppm2
7.960

ASSI {14401}

((segid “BrD” and resid 87 and name HN))

((segid “BrD” and resid 88 and name HB1))

3.700
3.400
1.800 peak
14401
weight
0.11000E+01 volume
0.72183E+02 ppm1
8.572
ppm2
3.532

OR {14401}

((segid “BrD” and resid 87 and name HN))

((segid “BrD” and resid 88 and name HB2))

ASSI {15611}

((segid “BrD” and resid 32 and name HE1))

((segid “BrD” and resid 94 and name HG2))

4.500
4.500
1.000 peak
15611
weight
0.11000E+01 volume
0.23846E+02 ppm1
11.082
ppm2
3.143

OR {15611}

((segid “BrD” and resid 32 and name HE1))

((segid “BrD” and resid 94 and name HG1))

ASSI {1}

((segid “BrD” and resid 43 and name HN))

((segid “BrD” and resid 43 and name HA))

2.700
1.800
1.800 peak
1
weight
0.11000E+01 volume
0.52965E+03 ppm1
8.001
ppm2
5.544

ASSI {11}

((segid “BrD” and resid 43 and name HN))

(segid “BrD” and resid 43 and name HB %)

2.400
1.400
1.400 peak
11
weight
0.11000E+01 volume
0.93421E+03 ppm1
8.001
ppm2
1.689

ASSI {21}

((segid “BrD” and resid 43 and name HN))

((segid “BrD” and resid 42 and name HN))

2.200
1.200
1.200 peak
21
weight
0.11000E+01 volume
0.18953E+04 ppm1
8.001
ppm2
7.816

ASSI {31}

((segid “BrD” and resid 42 and name HN))

((segid “BrD” and resid 41 and name HB))

3.300
2.700
2.200 peak
31
weight
0.11000E+01 volume
0.14380E+03 ppm1
7.822
ppm2
4.900

ASSI {41}

((segid “BrD” and resid 42 and name HN))

((segid “BrD” and resid 42 and name HA))

2.900
2.100
2.100 peak
41
weight
0.11000E+01 volume
0.30790E+03 ppm1
7.824
ppm2
5.053

ASSI {51}

((segid “BrD” and resid 42 and name HN))

((segid “BrD” and resid 42 and name HB2))

2.700
1.800
1.800 peak
51
weight
0.11000E+01 volume
0.47343E+03 ppm1
7.821
ppm2
2.613

ASSI {61}

((segid “BrD” and resid 42 and name HN))

((segid “BrD” and resid 42 and name HG1))

3.200
2.600
2.300 peak
61
weight
0.11000E+01 volume
0.16643E+03 ppm1
7.822
ppm2
2.899

ASSI {71}

((segid “BrD” and resid 42 and name HN))

((segid “BrD” and resid 42 and name HB1))

3.400
2.900
2.100 peak
71
weight
0.11000E+01 volume
0.13090E+03 ppm1
7.821
ppm2
2.790

ASSI {91}

((segid “BrD” and resid 99 and name HN))

(segid “BrD” and resid 99 and name HB %)

2.400
1.400
1.400 peak
91
weight
0.11000E+01 volume
0.90687E+03 ppm1
8.936
ppm2
2.208

ASSI {101}

((segid “BrD” and resid 99 and name HN))

((segid “BrD” and resid 99 and name HA))

2.800
2.000
2.000 peak
101
weight
0.11000E+01 volume
0.42952E+03 ppm1
8.936
ppm2
4.441

ASSI {121}

((segid “BrD” and resid 99 and name HN))

((segid “BrD” and resid 98 and name HN))

2.700
1.800
1.800 peak
121
weight
0.11000E+01 volume
0.45502E+03 ppm1
8.936
ppm2
9.112

ASSI {131}

((segid “BrD” and resid 98 and name HN))

((segid “BrD” and resid 98 and name HA))

2.500
1.600
1.600 peak
131
weight
0.11000E+01 volume
0.72592E+03 ppm1
9.125
ppm2
4.811

ASSI {141}

((segid “BrD” and resid 98 and name HN))

((segid “BrD” and resid 98 and name HB1))

3.300
2.700
2.200 peak
141
weight
0.11000E+01 volume
0.15487E+03 ppm1
9.125
ppm2
4.010

ASSI {151}

((segid “BrD” and resid 98 and name HN))

((segid “BrD” and resid 98 and name HB2))

2.400
1.400
1.400 peak
151
weight
0.11000E+01 volume
0.95271E+03 ppm1
9.125
ppm2
3.656

ASSI {171}

((segid “BrD” and resid 30 and name HN))

((segid “BrD” and resid 30 and name HA))

3.100
2.400
2.400 peak
171
weight
0.11000E+01 volume
0.20628E+03 ppm1
12.275
ppm2
5.451

ASSI {181}

((segid “BrD” and resid 30 and name HN))

((segid “BrD” and resid 30 and name HB1))

3.200
2.600
2.300 peak
181
weight
0.11000E+01 volume
0.16806E+03 ppm1
12.275
ppm2
4.939

ASSI {191}

((segid “BrD” and resid 30 and name HN))

((segid “BrD” and resid 30 and name HB2))

2.800
2.000
2.000 peak
191
weight
0.11000E+01 volume
0.40863E+03 ppm1
12.275
ppm2
4.538

ASSI {201}

((segid “BrD” and resid 30 and name HN))

((segid “BrD” and resid 29 and name HN))

3.300
2.700
2.200 peak
201
weight
0.11000E+01 volume
0.15134E+03 ppm1
12.275
ppm2
9.150

ASSI {211}

((segid “BrD” and resid 29 and name HN))

((segid “BrD” and resid 29 and name HA))

2.700
1.800
1.800 peak
211
weight
0.11000E+01 volume
0.44648E+03 ppm1
9.151
ppm2
4.818

ASSI {221}

((segid “BrD” and resid 29 and name HN))

((segid “BrD” and resid 29 and name HB1))

2.800
2.000
2.000 peak
221
weight
0.11000E+01 volume
0.39478E+03 ppm1
9.152
ppm2
2.712

ASSI {231}

((segid “BrD” and resid 31 and name HN))

((segid “BrD” and resid 29 and name HA))

3.400
2.900
2.100 peak
231
weight
0.11000E+01 volume
0.12405E+03 ppm1
8.479
ppm2
4.816

ASSI {241}

((segid “BrD” and resid 31 and name HN))

((segid “BrD” and resid 31 and name HA))

3.300
2.700
2.200 peak
241
weight
0.11000E+01 volume
0.13933E+03 ppm1
8.479
ppm2
5.003

ASSI {251}

((segid “BrD” and resid 31 and name HN))

(segid “BrD” and resid 31 and name HB %)

2.400
1.400
1.400 peak
251
weight
0.11000E+01 volume
0.88455E+03 ppm1
8.480
ppm2
2.307

ASSI {271}

((segid “BrD” and resid 28 and name HN))

((segid “BrD” and resid 28 and name HB2))

2.500
1.600
1.600 peak
271
weight
0.11000E+01 volume
0.82952E+03 ppm1
8.166
ppm2
3.409

ASSI {281}

((segid “BrD” and resid 28 and name HN))

((segid “BrD” and resid 28 and name HB1))

2.500
1.600
1.600 peak
281
weight
0.11000E+01 volume
0.71832E+03 ppm1
8.166
ppm2
3.596

ASSI {291}

((segid “BrD” and resid 28 and name HN))

((segid “BrD” and resid 28 and name HA))

2.700
1.800
1.800 peak
291
weight
0.11000E+01 volume
0.51058E+03 ppm1
8.165
ppm2
4.598

ASSI {301}

((segid “BrD” and resid 28 and name HN))

((segid “BrD” and resid 29 and name HN))

3.400
2.900
2.100 peak
301
weight
0.11000E+01 volume
0.11688E+03 ppm1
8.166
ppm2
9.164

ASSI {321}

((segid “BrD” and resid 32 and name HN))

((segid “BrD” and resid 32 and name HA))

2.600
1.700
1.700 peak
321
weight
0.11000E+01 volume
0.66621E+03 ppm1
7.739
ppm2
4.977

ASSI {331}

((segid “BrD” and resid 32 and name HN))

((segid “BrD” and resid 32 and name HB1))

2.900
2.100
2.100 peak
331
weight
0.11000E+01 volume
0.30872E+03 ppm1
7.740
ppm2
4.201

ASSI {341}

((segid “BrD” and resid 32 and name HN))

((segid “BrD” and resid 32 and name HB2))

2.600
1.700
1.700 peak
341
weight
0.11000E+01 volume
0.59972E+03 ppm1
7.739
ppm2
3.958

ASSI {351}

((segid “BrD” and resid 30 and name HN))

((segid “BrD” and resid 31 and name HN))

2.800
2.000
2.000 peak
351
weight
0.11000E+01 volume
0.41861E+03 ppm1
12.275
ppm2
8.477

ASSI {361}

((segid “BrD” and resid 105 and name HN))

((segid “BrD” and resid 105 and name HA))

3.100
2.400
2.400 peak
361
weight
0.11000E+01 volume
0.22043E+03 ppm1
8.488
ppm2
4.934

ASSI {371}

((segid “BrD” and resid 105 and name HN))

((segid “BrD” and resid 105 and name HB1))

2.800
2.000
2.000 peak
371
weight
0.11000E+01 volume
0.42542E+03 ppm1
8.487
ppm2
3.740

ASSI {401}

((segid “BrD” and resid 106 and name HN))

((segid “BrD” and resid 105 and name HN))

2.700
1.800
1.800 peak
401
weight
0.11000E+01 volume
0.44987E+03 ppm1
9.740
ppm2
8.476

ASSI {411}

((segid “BrD” and resid 106 and name HN))

((segid “BrD” and resid 106 and name HA))

2.600
1.700
1.700 peak
411
weight
0.11000E+01 volume
0.55394E+03 ppm1
9.740
ppm2
4.566

ASSI {421}

((segid “BrD” and resid 106 and name HN))

((segid “BrD” and resid 106 and name HB1))

2.500
1.600
1.600 peak
421
weight
0.11000E+01 volume
0.71568E+03 ppm1
9.740
ppm2
3.895

ASSI {431}

((segid “BrD” and resid 106 and name HN))

((segid “BrD” and resid 106 and name HB2))

2.300
1.300
1.300 peak
431
weight
0.11000E+01 volume
0.11998E+04 ppm1
9.740
ppm2
3.674

ASSI {451}

((segid “BrD” and resid 107 and name HN))

((segid “BrD” and resid 106 and name HN))

2.300
2.100
2.100 peak
451
weight
0.11000E+01 volume
0.34851E+03 ppm1
8.981
ppm2
9.713

ASSI {461}

((segid “BrD” and resid 107 and name HN))

(segid “BrD” and resid 107 and name HD %)

3.500
3.100
2.000 peak
461
weight
0.11000E+01 volume
0.11255E+03 ppm1
8.980
ppm2
7.783

ASSI {471}

((segid “BrD” and resid 107 and name HN))

((segid “BrD” and resid 107 and name HA))

2.600
1.700
1.700 peak
471
weight
0.11000E+01 volume
0.57631E+03 ppm1
8.981
ppm2
4.443

ASSI {481}

((segid “BrD” and resid 107 and name HN))

((segid “BrD” and resid 107 and name HB1))

3.200
2.600
2.300 peak
481
weight
0.11000E+01 volume
0.16715E+03 ppm1
8.980
ppm2
3.671

ASSI {501}

((segid “BrD” and resid 108 and name HN))

((segid “BrD” and resid 107 and name HN))

2.600
1.700
1.700 peak
501
weight
0.11000E+01 volume
0.57313E+03 ppm1
8.529
ppm2
8.966

ASSI {511}

((segid “BrD” and resid 108 and name HN))

((segid “BrD” and resid 108 and name HA))

2.700
1.800
1.800 peak
511
weight
0.11000E+01 volume
0.52916E+03 ppm1
8.526
ppm2
4.811

ASSI {521}

((segid “BrD” and resid 108 and name HN))

((segid “BrD” and resid 108 and name HB1))

2.400
1.400
1.400 peak
521
weight
0.11000E+01 volume
0.97994E+03 ppm1
8.526
ppm2
4.583

ASSI {531}

((segid “BrD” and resid 109 and name HN))

((segid “BrD” and resid 109 and name HA))

2.300
1.300
1.300 peak
531
weight
0.11000E+01 volume
0.11922E+04 ppm1
8.572
ppm2
4.615

ASSI {541}

((segid “BrD” and resid 110 and name HN))

((segid “BrD” and resid 109 and name HB2))

2.900
2.100
2.100 peak
541
weight
0.11000E+02 volume
0.32815E+03 ppm1
8.714
ppm2
2.174

ASSI {551}

((segid “BrD” and resid 110 and name HN))

((segid “BrD” and resid 110 and name HA))

2.800
2.000
2.000 peak
551
weight
0.11000E+01 volume
0.43619E+03 ppm1
8.714
ppm2
4.451

ASSI {561}

((segid “BrD” and resid 110 and name HN))

((segid “BrD” and resid 110 and name HB))

2.500
1.600
1.600 peak
561
weight
0.11000E+01 volume
0.77600E+03 ppm1
8.714
ppm2
2.352

ASSI {581}

((segid “BrD” and resid 109 and name HN))

((segid “BrD” and resid 110 and name HN))

2.800
2.000
2.000 peak
581
weight
0.11000E+01 volume
0.41482E+03 ppm1
8.572
ppm2
8.705

ASSI {591}

((segid “BrD” and resid 111 and name HN))

((segid “BrD” and resid 108 and name HA))

3.200
2.600
2.300 peak
591
weight
0.11000E+01 volume
0.17690E+03 ppm1
8.168
ppm2
4.807

ASSI {601}

((segid “BrD” and resid 111 and name HN))

((segid “BrD” and resid 111 and name HA))

2.500
1.600
1.600 peak
601
weight
0.11000E+01 volume
0.71549E+03 ppm1
8.168
ppm2
4.650

ASSI {621}

((segid “BrD” and resid 110 and name HN))

((segid “BrD” and resid 111 and name HN))

2.800
2.000
2.000 peak
621
weight
0.11000E+01 volume
0.38661E+03 ppm1
8.714
ppm2
8.153

ASSI {631}

((segid “BrD” and resid 112 and name HN))

((segid “BrD” and resid 112 and name HA))

2.300
1.300
1.300 peak
631
weight
0.11000E+01 volume
0.13944E+04 ppm1
8.667
ppm2
4.607

ASSI {641}

((segid “BrD” and resid 112 and name HN))

((segid “BrD” and resid 112 and name HG1))

3.400
2.900
2.100 peak
642
weight
0.11000E+01 volume
0.12114E+03 ppm1
8.668
ppm2
2.956

ASSI {651}

((segid “BrD” and resid 112 and name HN))

((segid “BrD” and resid 112 and name HG2))

3.500
3.100
2.000 peak
651
weight
0.11000E+01 volume
0.96511E+02 ppm1
8.668
ppm2
2.818

ASSI {661}

((segid “BrD” and resid 112 and name HN))

((segid “BrD” and resid 112 and name HB1))

2.200
1.200
1.200 peak
661
weight
0.11000E+01 volume
0.15417E+04 ppm1
8.668
ppm2
2.667

ASSI {671}

((segid “BrD” and resid 113 and name HN))

((segid “BrD” and resid 113 and name HA))

2.800
2.000
2.000 peak
671
weight
0.11000E+01 volume
0.42878E+03 ppm1
8.217
ppm2
4.904

ASSI {681}

((segid “BrD” and resid 113 and name HN))

(segid “BrD” and resid 113 and name HB %)

2.400
1.400
1.400 peak
681
weight
0.11000E+01 volume
0.99017E+03 ppm1
8.219
ppm2
1.967

ASSI {701}

((segid “BrD” and resid 114 and name HN))

((segid “BrD” and resid 114 and name HA1))

2.800
2.000
2.000 peak
701
weight
0.11000E+01 volume
0.42782E+03 ppm1
8.376
ppm2
4.619

ASSI {721}

((segid “BrD” and resid 113 and name HN))

((segid “BrD” and resid 114 and name HN))

2.500
1.600
1.600 peak
721
weight
0.11000E+01 volume
0.73854E+03 ppm1
8.219
ppm2
8.351

ASSI {741}

((segid “BrD” and resid 100 and name HN))

((segid “BrD” and resid 100 and name HA))

2.700
1.800
1.800 peak
741
weight
0.11000E+01 volume
0.49224E+03 ppm1
8.669
ppm2
4.938

ASSI {751}

((segid “BrD” and resid 100 and name HN))

((segid “BrD” and resid 100 and name H$$2))

2.400
1.400
1.400 peak
751
weight
0.11000E+01 volume
0.10916E+04 ppm1
8.669
ppm2
3.422

ASSI {771}

((segid “BrD” and resid 99 and name HN))

((segid “BrD” and resid 100 and name HN))

2.500
1.600
1.600 peak
771
weight
0.11000E+01 volume
0.76441E+03 ppm1
8.936
ppm2
8.664

ASSI {791}

((segid “BrD” and resid 97 and name HN))

((segid “BrD” and resid 97 and name HA))

2.600
1.700
1.700 peak
791
weight
0.11000E+01 volume
0.58097E+03 ppm1
8.676
ppm2
4.809

ASSI {811}

((segid “BrD” and resid 97 and name HN))

((segid “BrD” and resid 98 and name HN))

3.000
2.200
2.200 peak
811
weight
0.11000E+01 volume
0.25513E+03 ppm1
8.672
ppm2
9.124

ASSI {841}

((segid “BrD” and resid 96 and name HN))

((segid “BrD” and resid 96 and name HA))

2.600
1.700
1.700 peak
841
weight
0.11000E+01 volume
0.65098E+03 ppm1
7.977
ppm2
4.433

ASSI {851}

((segid “BrD” and resid 96 and name HN))

((segid “BrD” and resid 96 and name HB1))

2.800
2.000
2.000 peak
851
weight
0.11000E+01 volume
0.42091E+03 ppm1
7.976
ppm2
3.995

ASSI {861}

((segid “BrD” and resid 96 and name HN))

((segid “BrD” and resid 96 and name HB2))

2.600
1.700
1.700 peak
861
weight
0.11000E+01 volume
0.56648E+03 ppm1
7.979
ppm2
3.112

ASSI {871}

((segid “BrD” and resid 96 and name HN))

((segid “BrD” and resid 97 and name HN))

2.600
1.700
1.700 peak
871
weight
0.11000E+01 volume
0.67038E+03 ppm1
7.979
ppm2
8.678

ASSI {891}

((segid “BrD” and resid 95 and name HN))

((segid “BrD” and resid 95 and name HA))

3.100
2.400
2.400 peak
891
weight
0.11000E+01 volume
0.22376E+03 ppm1
8.669
ppm2
4.443

ASSI {901}

((segid “BrD” and resid 95 and name HN))

((segid “BrD” and resid 95 and name HB1))

2.800
2.000
2.000 peak
901
weight
0.11000E+01 volume
0.37061E+03 ppm1
8.669
ppm2
3.598

ASSI {911}

((segid “BrD” and resid 95 and name HN))

((segid “BrD” and resid 95 and name HB2))

2.700
1.800
1.800 peak
911
weight
0.11000E+01 volume
0.54351E+03 ppm1
8.669
ppm2
3.346

ASSI {921}

((segid “BrD” and resid 94 and name HN))

((segid “BrD” and resid 94 and name HA))

3.300
2.700
2.200 peak
921
weight
0.11000E+01 volume
0.13528E+03 ppm1
9.679
ppm2
4.846

ASSI {941}

((segid “BrD” and resid 94 and name HN))

((segid “BrD” and resid 95 and name HN))

3.500
3.100
2.000 peak
941
weight
0.11000E+01 volume
0.95054E+02 ppm1
9.679
ppm2
8.670

ASSI {971}

((segid “BrD” and resid 93 and name HN))

((segid “BrD” and resid 93 and name HA))

3.200
2.600
2.300 peak
971
weight
0.11000E+01 volume
0.16612E+03 ppm1
8.713
ppm2
5.037

ASSI {981}

((segid “BrD” and resid 93 and name HN))

((segid “BrD” and resid 93 and name HB2))

3.300
2.700
2.200 peak
981
weight
0.11000E+01 volume
0.15761E+03 ppm1
8.713
ppm2
4.753

ASSI {1001}

((segid “BrD” and resid 92 and name HN))

((segid “BrD” and resid 92 and name HA))

2.500
1.600
1.600 peak
1001
weight
0.11000E+01 volume
0.71435E+03 ppm1
8.873
ppm2
4.802

ASSI {1011}

((segid “BrD” and resid 92 and name HN))

((segid “BrD” and resid 93 and name HN))

2.500
1.600
1.600 peak
1011
weight
0.11000E+01 volume
0.69883E+03 ppm1
8.871
ppm2
8.719

ASSI {1031}

((segid “BrD” and resid 76 and name HN))

((segid “BrD” and resid 76 and name HA))

2.500
1.600
1.600 peak
1031
weight
0.11000E+01 volume
0.86678E+03 ppm1
8.611
ppm2
4.688

ASSI {1041}

((segid “BrD” and resid 76 and name HN))

(segid “BrD” and resid 76 and name HB %)

2.200
1.200
1.200 peak
1041
weight
0.11000E+01 volume
0.16592E+04 ppm1
8.612
ppm2
2.102

ASSI {1061}

((segid “BrD” and resid 77 and name HN))

((segid “BrD” and resid 77 and name HA))

2.700
1.800
1.800 peak
1061
weight
0.11000E+01 volume
0.53554E+03 ppm1
7.996
ppm2
4.980

ASSI {1071}

((segid “BrD” and resid 77 and name HN))

((segid “BrD” and resid 77 and name HB1))

2.100
1.100
1.100 peak
1071
weight
0.11000E+01 volume
0.22098E+04 ppm1
7.996
ppm2
3.337

ASSI {1091}

((segid “BrD” and resid 76 and name HN))

((segid “BrD” and resid 77 and name HN))

2.600
1.700
1.700 peak
1091
weight
0.11000E+01 volume
0.57823E+03 ppm1
8.612
ppm2
7.983

ASSI {1111}

((segid “BrD” and resid $$ and name HN))

((segid “BrD” and resid 75 and name HA))

2.800
2.000
2.000 peak
1111
weight
0.11000E+01 volume
0.40919E+03 ppm1
9.106
ppm2
4.527

ASSI {1121}

((segid “BrD” and resid 75 and name HN))

((segid “BrD” and resid 75 and name HG1))

2.600
1.700
1.700 peak
1121
weight
0.11000E+01 volume
0.66185E+03 ppm1
9.106
ppm2
3.549

ASSI {1131}

((segid “BrD” and resid 75 and name HN))

((segid “BrD” and resid 75 and name HG2))

2.900
2.100
2.100 peak
1131
weight
0.11000E+01 volume
0.30957E+03 ppm1
9.106
ppm2
3.221

ASSI {1141}

((segid “BrD” and resid 75 and name HN))

((segid “BrD” and resid 75 and name HB1))

3.100
2.400
2.400 peak
1141
weight
0.11000E+01 volume
0.19539E+03 ppm1
9.106
ppm2
2.919

ASSI {1151}

((segid “BrD” and resid 75 and name HN))

((segid “BrD” and resid 75 and name HB2))

2.500
1.600
1.600 peak
1151
weight
0.11000E+01 volume
0.72202E+03 ppm1
9.106
ppm2
2.816

ASSI {1171}

((segid “BrD” and resid 76 and name HN))

((segid “BrD” and resid 75 and name HN))

2.700
1.800
1.800 peak
1171
weight
0.11000E+01 volume
0.51792E+03 ppm1
8.613
ppm2
9.085

ASSI {1181}

((segid “BrD” and resid 74 and name HN))

(segid “BrD” and resid 74 and name HD %)

3.000
2.200
2.200 peak
1181
weight
0.11000E+01 volume
0.24258E+03 ppm1
7.536
ppm2
7.004

ASSI {1191}

((segid “BrD” and resid 74 and name HN))

((segid “BrD” and resid 74 and name HA))

3.000
2.200
2.200 peak
1191
weight
0.11000E+01 volume
0.27313E+03 ppm1
7.536
ppm2
4.368

ASSI {1201}

((segid “BrD” and resid 74 and name HN))

((segid “BrD” and resid 74 and name HB1))

2.800
2.000
2.000 peak
1201
weight
0.11000E+01 volume
0.42552E+03 ppm1
7.5$$5
ppm2
1.552

ASSI {1211}

((segid “BrD” and resid 74 and name HN))

((segid “BrD” and resid 74 and name HB2))

2.700
1.800
1.800 peak
1211
weight
0.11000E+01 volume
0.47386E+03 ppm1
7.536
ppm2
2.983

ASSI {1231}

((segid “BrD” and resid 75 and name HN))

((segid “BrD” and resid 74 and name HN))

2.800
2.000
2.000 peak
1231
weight
0.11000E+01 volume
0.42446E+03 ppm1
9.105
ppm2
7.535

ASSI {1241}

((segid “BrD” and resid 70 and name HN))

((segid “BrD” and resid 70 and name HA))

2.500
1.600
1.600 peak
1241
weight
0.11000E+01 volume
0.78559E+03 ppm1
8.040
ppm2
5.348

ASSI {1251}

((segid “BrD” and resid 70 and name HN))

((segid “BrD” and resid 70 and name HB2))

2.900
2.100
2.100 peak
1251
weight
0.11000E+01 volume
0.29096E+03 ppm1
8.039
ppm2
4.357

ASSI {1261}

((segid “BrD” and resid 69 and name HN))

((segid “BrD” and resid 69 and name HA))

2.800
2.000
2.000 peak
1261
weight
0.11000E+01 volume
0.43807E+03 ppm1
8.306
ppm2
4.690

ASSI {1271}

((segid “BrD” and resid 69 and name HN))

((segid “BrD” and resid 69 and name HB))

3.300
2.700
2.200 peak
1271
weight
0.11000E+01 volume
0.13733E+03 ppm1
8.306
ppm2
2.921

ASSI {1281}

((segid “BrD” and resid 69 and name HN))

(segid “BrD” and resid 69 and name HG1 %)

2.800
2.000
2.000 peak
1281
weight
0.11000E+01 volume
0.40608E+03 ppm1
8.306
ppm2
1.549

ASSI {1291}

((segid “BrD” and resid 69 and name HN))

(segid “BrD” and resid 69 and name HG2 %)

3.000
2.200
2.200 peak
1291
weight
0.11000E+01 volume
0.24335E+03 ppm1
8.306
ppm2
1.430

ASSI {1301}

((segid “BrD” and resid 69 and name HN))

((segid “BrD” and resid 70 and name HN))

2.800
2.000
2.000 peak
1301
weight
0.11000E+01 volume
0.40402E+03 ppm1
8.306
ppm2
8.022

ASSI {1321}

((segid “BrD” and resid 68 and name HN))

(segid “BrD” and resid 68 and name HD %)

2.900
2.100
2.100 peak
1321
weight
0.11000E+01 volume
0.34716E+03 ppm1
8.626
ppm2
7.778

ASSI {1331}

((segid “BrD” and resid 68 and name HN))

((segid “BrD” and resid 68 and name HA))

3.200
2.600
2.300 peak
1331
weight
0.11000E+01 volume
0.16288E+03 ppm1
8.626
ppm2
5.142

ASSI {1341}

((segid “BrD” and resid 68 and name HN))

((segid “BrD” and resid 68 and name HB1))

3.000
2.200
2.200 peak
1341
weight
0.11000E+01 volume
0.26781E+03 ppm1
8.625
ppm2
3.669

ASSI {1351}

((segid “BrD” and resid 68 and name HN))

((segid “BrD” and resid 68 and name HB2))

2.700
1.800
1.800 peak
1351
weight
0.11000E+01 volume
0.52551E+03 ppm1
8.627
ppm2
3.516

ASSI {1361}

((segid “BrD” and resid 68 and name HN))

((segid “BrD” and resid 69 and name HN))

3.500
3.100
2.000 peak
1361
weight
0.11000E+01 volume
0.11066E+03 ppm1
8.622
ppm2
8.304

ASSI {1381}

((segid “BrD” and resid 67 and name HN))

(segid “BrD” and resid 67 and name HD %)

3.100
2.400
2.400 peak
1381
weight
0.11000E+01 volume
0.20078E+03 ppm1
8.832
ppm2
6.888

ASSI {1391}

((segid “BrD” and resid 67 and name HN))

((segid “BrD” and resid 67 and name HA))

2.800
2.000
2.000 peak
1391
weight
0.11000E+01 volume
0.36081E+03 ppm1
8.832
ppm2
4.671

ASSI {1401}

((segid “BrD” and resid 67 and name HN))

((segid “BrD” and resid 67 and name HB1))

2.900
2.100
2.100 peak
1401
weight
0.11000E+01 volume
0.31437E+03 ppm1
8.832
ppm2
3.549

ASSI {1411}

((segid “BrD” and resid 67 and name HN))

((segid “BrD” and resid 67 and name HB2))

2.400
1.400
1.400 peak
1411
weight
0.11000E+01 volume
0.92322E+03 ppm1
8.833
ppm2
2.661

ASSI {1431}

((segid “BrD” and resid 68 and name HN))

((segid “BrD” and resid 67 and name HN))

2.500
1.600
1.600 peak
1431
weight
0.11000E+01 volume
0.76621E+03 ppm1
8.622
ppm2
8.829

ASSI {1441}

((segid “BrD” and resid 68 and name HN))

(segid “BrD” and resid 67 and name HD %)

3.200
2.600
2.300 peak
1441
weight
0.11000E+01 volume
0.16656E+03 ppm1
8.626
ppm2
6.892

ASSI {1451}

((segid “BrD” and resid 66 and name HN))

((segid “BrD” and resid 66 and name HA))

2.200
1.200
1.200 peak
1451
weight
0.11000E+01 volume
0.17604E+04 ppm1
8.763
ppm2
5.001

ASSI {1461}

((segid “BrD” and resid 65 and name HN))

((segid “BrD” and resid 65 and name HA))

2.500
1.600
1.600 peak
1461
weight
0.11000E+01 volume
0.81596E+03 ppm1
8.564
ppm2
5.375

ASSI {1471}

((segid “BrD” and resid 65 and name HN))

((segid “BrD” and resid 65 and name HB1))

2.600
1.700
1.700 peak
1471
weight
0.11000E+01 volume
0.66517E+03 ppm1
8.566
ppm2
3.627

ASSI {1481}

((segid “BrD” and resid 65 and name HN))

((segid “BrD” and resid 65 and name HB2))

2.400
1.400
1.400 peak
1481
weight
0.11000E+01 volume
0.98393E+03 ppm1
8.564
ppm2
3.382

ASSI {1491}

((segid “BrD” and resid 65 and name HN))

((segid “BrD” and resid 64 and name HB1))

2.400
1.400
1.400 peak
1491
weight
0.11000E+01 volume
0.10161E+04 ppm1
8.565
ppm2
2.659

ASSI {1501}

((segid “BrD” and resid 65 and name HN))

((segid “BrD” and resid 66 and name HN))

2.300
1.300
1.300 peak
1501
weight
0.11000E+01 volume
0.13482E+04 ppm1
8.565
ppm2
8.765

ASSI {1521}

((segid “BrD” and resid 20 and name HN))

((segid “BrD” and resid 16 and name HA))

2.700
1.800
1.800 peak
1521
weight
0.11000E+01 volume
0.44067E+03 ppm1
8.146
ppm2
4.527

ASSI {1531}

((segid “BrD” and resid 20 and name HN))

((segid “BrD” and resid 20 and name HA))

2.500
1.600
1.600 peak
1531
weight
0.11000E+01 volume
0.84286E+03 ppm1
8.146
ppm2
4.895

ASSI {1541}

((segid “BrD” and resid 20 and name HN))

((segid “BrD” and resid 20 and name HB1))

2.300
1.300
1.300 peak
1541
weight
0.11000E+01 volume
0.13472E+04 ppm1
8.147
ppm2
4.669

ASSI {1561}

((segid “BrD” and resid 21 and name HN))

((segid “BrD” and resid 21 and name HA))

2.900
2.100
2.100 peak
1561
weight
0.11000E+01 volume
0.31054E+03 ppm1
8.546
ppm2
4.367

ASSI {1571}

((segid “BrD” and resid 101 and name HN))

((segid “BrD” and resid 101 and name H$$))

2.700
1.800
1.800 peak
1571
weight
0.11000E+01 volume
0.51528E+03 ppm1
8.514
ppm2
2.538

ASSI {1581}

((segid “BrD” and resid 22 and name HN))

((segid “BrD” and resid 22 and name HA))

2.700
1.800
1.800 peak
1581
weight
0.11000E+01 volume
0.45405E+03 ppm1
9.456
ppm2
4.712

ASSI {1591}

((segid “BrD” and resid 23 and name HN))

((segid “BrD” and resid 21 and name HB))

3.300
2.700
2.200 peak
1591
weight
0.11000E+01 volume
0.13959E+03 ppm1
9.122
ppm2
2.486

ASSI {1601}

((segid “BrD” and resid 23 and name HN))

((segid “BrD” and resid 23 and name HA))

2.600
1.700
1.700 peak
1601
weight
0.11000E+01 volume
0.61098E+03 ppm1
9.118
ppm2
4.645

ASSI {1611}

((segid “BrD” and resid 23 and name HN))

((segid “BrD” and resid 23 and name HG1))

3.400
2.900
2.100 peak
1611
weight
0.11000E+01 volume
0.11565E+03 ppm1
9.119
ppm2
3.143

ASSI {1621}

((segid “BrD” and resid 23 and name HN))

((segid “BrD” and resid 23 and name HB1))

2.900
2.100
2.100 peak
1621
weight
0.11000E+01 volume
0.34650E+03 ppm1
9.118
ppm2
2.939

ASSI {1641}

((segid “BrD” and resid 22 and name HN))

((segid “BrD” and resid 23 and name HN))

2.600
1.700
1.700 peak
1641
weight
0.11000E+01 volume
0.57061E+03 ppm1
9.456
ppm2
9.123

ASSI {1651}

((segid “BrD” and resid 15 and name HN))

(segid “BrD” and resid 15 and name HD %)

3.100
2.400
2.400 peak
1651
weight
0.11000E+01 volume
0.20888E+03 ppm1
8.598
ppm2
7.663

ASSI {1661}

((segid “BrD” and resid 24 and name HN))

((segid “BrD” and resid 24 and name HA))

2.800
2.000
2.000 peak
1661
weight
0.11000E+01 volume
0.43492E+03 ppm1
8.661
ppm2
4.775

ASSI {1671}

((segid “BrD” and resid 24 and name HN))

((segid “BrD” and resid 24 and name HG1))

2.800
2.000
2.000 peak
1671
weight
0.11000E+01 volume
0.42365E+03 ppm1
8.660
ppm2
3.454

ASSI {1681}

((segid “BrD” and resid 24 and name HN))

((segid “BrD” and resid 24 and name HB1))

2.800
2.000
2.000 peak
1681
weight
0.11000E+01 volume
0.37096E+03 ppm1
8.654
ppm2
3.089

ASSI {1691}

((segid “BrD” and resid 24 and name HN))

((segid “BrD” and resid 23 and name HN))

2.300
1.300
1.300 peak
1691
weight
0.11000E+01 volume
0.12196E+04 ppm1
8.659
ppm2
9.112

ASSI {1711}

((segid “BrD” and resid 25 and name HN))

((segid “BrD” and resid 27 and name HN))

3.600
3.200
1.900 peak
1711
weight
0.11000E+01 volume
0.81722E+02 ppm1
9.134
ppm2
8.155

ASSI {1721}

((segid “BrD” and resid 25 and name HN))

((segid “BrD” and resid 25 and name HA))

3.200
2.600
2.300 peak
1721
weight
0.11000E+01 volume
0.16529E+03 ppm1
9.134
ppm2
4.443

ASSI {1731}

((segid “BrD” and resid 25 and name HN))

((segid “BrD” and resid 25 and name HB))

2.800
2.000
2.000 peak
1731
weight
0.11000E+01 volume
0.35564E+03 ppm1
9.132
ppm2
2.984

ASSI {1741}

((segid “BrD” and resid 25 and name HN))

(segid “BrD” and resid 25 and name HG1 %)

2.600
1.700
1.700 peak
1741
weight
0.11000E+01 volume
0.61322E+03 ppm1
9.133
ppm2
1.799

ASSI {1751}

((segid “BrD” and resid 25 and name HN))

(segid “BrD” and resid 25 and name HG2 %)

2.800
2.000
2.000 peak
1751
weight
0.11000E+01 volume
0.35918E+03 ppm1
9.133
ppm2
1.627

ASSI {1771}

((segid “BrD” and resid 24 and name HN))

((segid “BrD” and resid 25 and name HN))

2.400
1.400
1.400 peak
1771
weight
0.11000E+01 volume
0.91823E+03 ppm1
8.661
ppm2
9.133

ASSI {1791}

((segid “BrD” and resid 26 and name HN))

((segid “BrD” and resid 26 and name HA))

3.000
2.200
2.200 peak
1791
weight
0.11000E+01 volume
0.24601E+03 ppm1
9.196
ppm2
4.488

ASSI {1801}

((segid “BrD” and resid 27 and name HN))

((segid “BrD” and resid 26 and name HB1))

2.700
1.800
1.800 peak
1801
weight
0.11000E+01 volume
0.50197E+03 ppm1
8.169
ppm2
2.480

ASSI {1811}

((segid “BrD” and resid 27 and name HN))

((segid “BrD” and resid 27 and name HA))

2.700
1.800
1.800 peak
1811
weight
0.11000E+01 volume
0.49453E+03 ppm1
8.170
ppm2
5.055

ASSI {1821}

((segid “BrD” and resid 27 and name HN))

((segid “BrD” and resid 27 and name HB1))

2.500
1.600
1.600 peak
1821
weight
0.11000E+01 volume
0.78563E+03 ppm1
8.170
ppm2
4.611

ASSI {1831}

((segid “BrD” and resid 27 and name HN))

((segid “BrD” and resid 26 and name HN))

2.600
1.700
1.700 peak
1831
weight
0.11000E+01 volume
0.56681E+03 ppm1
8.169
ppm2
9.179

ASSI {1851}

((segid “BrD” and resid 19 and name HN))

((segid “BrD” and resid 15 and name HA))

3.100
2.400
2.400 peak
1851
weight
0.11000E+01 volume
0.20055E+03 ppm1
9.187
ppm2
4.645

ASSI {1861}

((segid “BrD” and resid 19 and name HN))

((segid “BrD” and resid 19 and name HA))

2.800
2.000
2.000 peak
1861
weight
0.11000E+01 volume
0.37223E+03 ppm1
9.189
ppm2
4.285

ASSI {1881}

((segid “BrD” and resid 20 and name HN))

((segid “BrD” and resid 19 and name HN))

2.800
2.000
2.000 peak
1881
weight
0.11000E+01 volume
0.39357E+03 ppm1
8.146
ppm2
9.170

ASSI {1901}

((segid “BrD” and resid 83 and name HN))

((segid “BrD” and resid 83 and name HA))

2.800
2.000
2.000 peak
1901
weight
0.11000E+01 volume
0.35792E+03 ppm1
9.658
ppm2
4.447

ASSI {1911}

((segid “BrD” and resid 83 and name HN))

((segid “BrD” and resid 83 and name HB))

2.700
1.800
1.800 peak
1911
weight
0.11000E+01 volume
0.45140E+03 ppm1
9.659
ppm2
4.817

ASSI {1921}

((segid “BrD” and resid 83 and name HN))

(segid “BrD” and resid 83 and name HG2 %)

3.000
2.200
2.200 peak
1921
weight
0.11000E+01 volume
0.28097E+03 ppm1
9.659
ppm2
1.910

ASSI {1931}

((segid “BrD” and resid 84 and name HN))

((segid “BrD” and resid 84 and name HA))

2.800
2.000
2.000 peak
1931
weight
0.11000E+01 volume
0.37490E+03 ppm1
9.464
ppm2
4.901

ASSI {1941}

((segid “BrD” and resid 84 and name HN))

((segid “BrD” and resid 84 and name HB1))

2.800
2.000
2.000 peak
1941
weight
0.11000E+01 volume
0.42690E+03 ppm1
9.463
ppm2
3.592

ASSI {1951}

((segid “BrD” and resid 84 and name HN))

((segid “BrD” and resid 84 and name HB2))

3.000
2.200
2.200 peak
1951
weight
0.11000E+01 volume
0.26963E+03 ppm1
9.463
ppm2
3.268

ASSI {1971}

((segid “BrD” and resid 83 and name HN))

((segid “BrD” and resid 84 and name HN))

2.600
1.700
1.700 peak
1971
weight
0.11000E+01 volume
0.61276E+03 ppm1
9.658
ppm2
9.450

ASSI {1981}

((segid “BrD” and resid 85 and name HN))

((segid “BrD” and resid 85 and name HA))

2.900
2.100
2.100 peak
1981
weight
0.11000E+01 volume
0.32851E+03 ppm1
7.516
ppm2
5.014

ASSI {1991}

((segid “BrD” and resid 85 and name HN))

((segid “BrD” and resid 85 and name HB1))

2.800
2.000
2.000 peak
1991
weight
0.11000E+01 volume
0.39507E+03 ppm1
7.516
ppm2
3.919

ASSI {2011}

((segid “BrD” and resid 84 and name HN))

((segid “BrD” and resid 85 and name HN))

2.800
2.000
2.000 peak
2011
weight
0.11000E+01 volume
0.37475E+03 ppm1
9.464
ppm2
7.497

ASSI {2021}

((segid “BrD” and resid 86 and name HN))

((segid “BrD” and resid 85 and name HB1))

3.200
2.600
2.300 peak
2021
weight
0.11000E+01 volume
0.17051E+03 ppm1
8.423
ppm2
3.911

ASSI {2031}

((segid “BrD” and resid 86 and name HN))

((segid “BrD” and resid 86 and name HA))

2.800
2.000
2.000 peak
2031
weight
0.11000E+01 volume
0.42952E+03 ppm1
8.423
ppm2
4.809

ASSI {2051}

((segid “BrD” and resid 85 and name HN))

((segid “BrD” and resid 86 and name HN))

2.800
2.000
2.000 peak
2051
weight
0.11000E+01 volume
0.39765E+03 ppm1
7.516
ppm2
8.406

ASSI {2061}

((segid “BrD” and resid 87 and name HN))

((segid “BrD” and resid 86 and name HB1))

3.400
2.900
2.100 peak
2061
weight
0.11000E+01 volume
0.11283E+03 ppm1
8.570
ppm2
2.350

ASSI {2071}

((segid “BrD” and resid 87 and name HN))

((segid “BrD” and resid 87 and name HA))

2.600
1.700
1.700 peak
2071
weight
0.11000E+01 volume
0.62404E+03 ppm1
8.572
ppm2
4.889

ASSI {2081}

((segid “BrD” and resid 87 and name HN))

((segid “BrD” and resid 87 and name HG1))

3.000
2.200
2.200 peak
2081
weight
0.11000E+01 volume
0.28244E+03 ppm1
8.572
ppm2
3.014

ASSI {2091}

((segid “BrD” and resid 87 and name HN))

((segid “BrD” and resid 87 and name HG2))

3.000
2.200
2.200 peak
2091
weight
0.11000E+01 volume
0.28579E+03 ppm1
8.570
ppm2
2.810

ASSI {2101}

((segid “BrD” and resid 87 and name HN))

((segid “BrD” and resid 87 and name HB2))

2.700
1.800
1.800 peak
2101
weight
0.11000E+01 volume
0.46735E+03 ppm1
8.571
ppm2
2.607

ASSI {2111}

((segid “BrD” and resid 88 and name HN))

(segid “BrD” and resid 88 and name HD %)

3.300
2.700
2.200 peak
2111
weight
0.11000E+01 volume
0.15320E+03 ppm1
8.355
ppm2
7.595

ASSI {2121}

((segid “BrD” and resid 88 and name HN))

((segid “BrD” and resid 88 and name HA))

3.100
2.400
2.400 peak
2121
weight
0.11000E+01 volume
0.22276E+03 ppm1
8.356
ppm2
4.976

ASSI {2131}

((segid “BrD” and resid 88 and name HN))

((segid “BrD” and resid 88 and name HB1))

2.500
1.600
1.600 peak
2131
weight
0.11000E+01 volume
0.72297E+03 ppm1
8.354
ppm2
3.536

ASSI {2151}

((segid “BrD” and resid 89 and name HN))

((segid “BrD” and resid 89 and name HA))

3.000
2.200
2.200 peak
2151
weight
0.11000E+01 volume
0.26347E+03 ppm1
8.858
ppm2
5.631

ASSI {2161}

((segid “BrD” and resid 89 and name HN))

((segid “BrD” and resid 89 and name HB1))

3.000
2.200
2.200 peak
2161
weight
0.11000E+01 volume
0.26996E+03 ppm1
8.858
ppm2
3.671

ASSI {2171}

((segid “BrD” and resid 89 and name HN))

((segid “BrD” and resid 89 and name HB2))

2.400
1.400
1.400 peak
2171
weight
0.11000E+01 volume
0.10141E+04 ppm1
8.858
ppm2
3.508

ASSI {2191}

((segid “BrD” and resid 88 and name HN))

((segid “BrD” and resid 89 and name HN))

2.600
1.700
1.700 peak
2191
weight
0.11000E+01 volume
0.62488E+03 ppm1
8.335
ppm2
9.848

ASSI {2201}

((segid “BrD” and resid 46 and name HN))

((segid “BrD” and resid 47 and name HN))

2.800
2.000
2.000 peak
2201
weight
0.11000E+01 volume
0.38079E+03 ppm1
8.562
ppm2
8.836

ASSI {2211}

((segid “BrD” and resid 46 and name HN))

((segid “BrD” and resid 46 and name HA))

2.700
1.800
1.800 peak
2211
weight
0.11000E+01 volume
0.49246E+03 ppm1
8.562
ppm2
4.125

ASSI {2221}

((segid “BrD” and resid 46 and name HN))

((segid “BrD” and resid 46 and name HB1))

2.500
1.600
1.600 peak
2221
weight
0.11000E+01 volume
0.82312E+03 ppm1
8.561
ppm2
3.293

ASSI {2231}

((segid “BrD” and resid 46 and name HN))

((segid “BrD” and resid 46 and name HB2))

2.500
1.600
1.600 peak
2231
weight
0.11000E+01 volume
0.72605E+03 ppm1
8.562
ppm2
3.095

ASSI {2241}

((segid “BrD” and resid 47 and name HN))

(segid “BrD” and resid 47 and name HE %)

3.700
3.400
1.800 peak
2241
weight
0.11000E+01 volume
0.71965E+02 ppm1
8.832
ppm2
7.253

ASSI {2251}

((segid “BrD” and resid 47 and name HN))

((segid “BrD” and resid 47 and name HA))

2.900
2.100
2.100 peak
2251
weight
0.11000E+01 volume
0.34426E+03 ppm1
8.831
ppm2
4.708

ASSI {2261}

((segid “BrD” and resid 47 and name HN))

((segid “BrD” and resid 47 and name HB1))

2.800
2.000
2.000 peak
2261
weight
0.11000E+01 volume
0.37083E+03 ppm1
8.833
ppm2
3.807

ASSI {2271}

((segid “BrD” and resid 47 and name HN))

((segid “BrD” and resid 47 and name HB2))

2.900
2.100
2.100 peak
2271
weight
0.11000E+01 volume
0.34763E+03 ppm1
8.632
ppm2
3.391

ASSI {2281}

((segid “BrD” and resid 48 and name HN))

((segid “BrD” and resid 48 and name HA))

2.800
2.000
2.000 peak
2281
weight
0.11000E+01 volume
0.37621E+03 ppm1
8.307
ppm2
4.815

ASSI {2291}

((segid “BrD” and resid 48 and name HN))

((segid “BrD” and resid 48 and name HG2))

3.300
2.700
2.200 peak
2291
weight
0.11000E+01 volume
0.14081E+03 ppm1
8.308
ppm2
2.857

ASSI {2301}

((segid “BrD” and resid 48 and name HN))

((segid “BrD” and resid 48 and name HB1))

2.400
1.400
1.400 peak
2301
weight
0.11000E+01 volume
0.11018E+04 ppm1
8.308
ppm2
2.698

ASSI {2321}

((segid “BrD” and resid 47 and name HN))

((segid “BrD” and resid 48 and name HN))

2.700
1.800
1.800 peak
2321
weight
0.11000E+01 volume
0.47004E+03 ppm1
8.832
ppm2
8.310

ASSI {2341}

((segid “BrD” and resid 49 and name HN))

((segid “BrD” and resid 49 and name HA))

2.800
1.700
1.700 peak
2341
weight
0.11000E+01 volume
0.63035E+03 ppm1
7.762
ppm2
4.690

ASSI {2351}

((segid “BrD” and resid 49 and name HN))

((segid “BrD” and resid 49 and name HB))

3.100
2.400
2.400 peak
2351
weight
0.11000E+01 volume
0.22961E+03 ppm1
7.762
ppm2
2.611

ASSI {2361}

((segid “BrD” and resid 49 and name HN))

(segid “BrD” and resid 49 and name HG2 %)

3.300
2.700
2.200 peak
2361
weight
0.11000E+01 volume
0.15115E+03 ppm1
7.762
ppm2
1.586

ASSI {2381}

((segid “BrD” and resid 48 and name HN))

((segid “BrD” and resid 49 and name HN))

2.400
1.400
1.400 peak
2381
weight
0.11000E+01 volume
0.95252E+03 ppm1
8.308
ppm2
7.742

ASSI {2391}

((segid “BrD” and resid 50 and name HN))

((segid “BrD” and resid 51 and name HN))

2.600
1.700
1.700 peak
2391
weight
0.11000E+01 volume
0.55801E+03 ppm1
8.559
ppm2
8.318

ASSI {2401}

((segid “BrD” and resid 50 and name HN))

((segid “BrD” and resid 50 and name HA))

2.700
1.800
1.800 peak
2401
weight
0.11000E+01 volume
0.45800E+03 ppm1
8.564
ppm2
4.525

ASSI {2421}

((segid “BrD” and resid 49 and name HN))

((segid “BrD” and resid 50 and name HN))

2.400
1.400
1.400 peak
2421
weight
0.11000E+01 volume
0.91502E+03 ppm1
7.762
ppm2
8.554

ASSI {2431}

((segid “BrD” and resid 115 and name HN))

((segid “BrD” and resid 114 and name HA2))

3.100
2.400
2.400 peak
2431
weight
0.11000E+01 volume
0.20145E+03 ppm1
8.355
ppm2
4.542

ASSI {2441}

((segid “BrD” and resid 115 and name HN))

((segid “BrD” and resid 115 and name HA))

2.800
2.000
2.000 peak
2441
weight
0.11000E+01 volume
0.38387E+03 ppm1
8.355
ppm2
4.822

ASSI {2451}

((segid “BrD” and resid 116 and name HN))

((segid “BrD” and resid 115 and name HB1))

2.700
1.800
1.800 peak
2451
weight
0.11000E+01 volume
0.51528E+03 ppm1
8.086
ppm2
2.169

ASSI {2461}

((segid “BrD” and resid 116 and name HN))

((segid “BrD” and resid 116 and name HA))

2.500
1.600
1.600 peak
2461
weight
0.11000E+01 volume
0.81456E+03 ppm1
8.087
ppm2
4.828

ASSI {2471}

((segid “BrD” and resid 116 and name HN))

((segid “BrD” and resid 116 and name HB))

2.600
1.700
1.700 peak
2471
weight
0.11000E+01 volume
0.58085E+03 ppm1
8.086
ppm2
2.419

ASSI {2481}

((segid “BrD” and resid 117 and name HN))

((segid “BrD” and resid 117 and name HA))

3.300
2.700
2.200 peak
2481
weight
0.11000E+01 volume
0.15334E+03 ppm1
8.880
ppm2
5.171

ASSI {2491}

((segid “BrD” and resid 117 and name HN))

((segid “BrD” and resid 117 and name HB1))

3.300
2.700
2.200 peak
2491
weight
0.11000E+01 volume
0.14660E+03 ppm1
8.879
ppm2
3.300

ASSI {2501}

((segid “BrD” and resid 117 and name HN))

((segid “BrD” and resid 117 and name HB2))

2.800
2.000
2.000 peak
2501
weight
0.11000E+01 volume
0.41931E+03 ppm1
8.879
ppm2
3.147

ASSI {2511}

((segid “BrD” and resid 51 and name HN))

((segid “BrD” and resid 51 and name HA))

2.300
1.300
1.300 peak
2511
weight
0.11000E+01 volume
0.13843E+04 ppm1
8.377
ppm2
4.475

ASSI {2521}

((segid “BrD” and resid 51 and name HN))

((segid “BrD” and resid 51 and name HG1))

2.900
2.100
2.100 peak
2521
weight
0.11000E+01 volume
0.29957E+03 ppm1
8.375
ppm2
1.933

ASSI {2531}

((segid “BrD” and resid 17 and name HN))

((segid “BrD” and resid 17 and name HB))

3.000
2.200
2.200 peak
2531
weight
0.11000E+01 volume
0.26023E+03 ppm1
8.679
ppm2
4.860

ASSI {2541}

((segid “BrD” and resid 17 and name HN))

((segid “BrD” and resid 17 and name HA))

2.400
1.400
1.400 peak
2541
weight
0.11000E+01 volume
0.10062E+04 ppm1
8.678
ppm2
4.571

ASSI {2551}

((segid “BrD” and resid 17 and name HN))

(segid “BrD” and resid 17 and name HG2 %)

3.100
2.400
2.400 peak
2551
weight
0.11000E+01 volume
0.20185E+03 ppm1
8.670
ppm2
1.745

ASSI {2561}

((segid “BrD” and resid 101 and name HN))

((segid “BrD” and resid 100 and name HB2))

2.800
2.000
2.000 peak
2561
weight
0.11000E+01 volume
0.3$$3E+03 ppm1
8.513
ppm2
3.441

ASSI {2571}

((segid “BrD” and resid 101 and name HN))

((segid “BrD” and resid 101 and name HA))

2.800
2.000
2.000 peak
2571
weight
0.11000E+01 volume
0.37743E+03 ppm1
8.513
ppm2
4.264

ASSI {2591}

((segid “BrD” and resid 100 and name HN))

((segid “BrD” and resid 101 and name HN))

2.600
1.700
1.700 peak
2591
weight
0.11000E+01 volume
0.62929E+03 ppm1
8.669
ppm2
8.521

ASSI {2601}

((segid “BrD” and resid 102 and name HN))

((segid “BrD” and resid 102 and name HA))

2.900
2.100
2.100 peak
2601
weight
0.11000E+01 volume
0.34745E+03 ppm1
9.156
ppm2
4.280

ASSI {2611}

((segid “BrD” and resid 102 and name HN))

((segid “BrD” and resid 101 and name HN))

2.700
1.800
1.800 peak
2611
weight
0.11000E+01 volume
0.52631E+03 ppm1
9.156
ppm2
8.513

ASSI {2641}

((segid “BrD” and resid 103 and name HN))

((segid “BrD” and resid 103 and name HA))

2.800
2.000
2.000 peak
2641
weight
0.11000E+01 volume
0.41836E+03 ppm1
8.695
ppm2
3.800

ASSI {2651}

((segid “BrD” and resid 103 and name HN))

((segid “BrD” and resid 103 and name HB2))

2.800
2.000
2.000 peak
2651
weight
0.11000E+01 volume
0.35593E+03 ppm1
8.696
ppm2
1.928

ASSI {2661}

((segid “BrD” and resid 103 and name HN))

((segid “BrD” and resid 103 and name HB1))

2.500
1.600
1.600 peak
2661
weight
0.11000E+01 volume
0.72768E+03 ppm1
8.695
ppm2
2.353

ASSI {2671}

((segid “BrD” and resid 103 and name HN))

((segid “BrD” and resid 103 and name HG2))

3.200
2.600
2.300 peak
2671
weight
0.11000E+01 volume
0.18331E+03 ppm1
8.695
ppm2
2.529

ASSI {2681}

((segid “BrD” and resid 103 and name HN))

((segid “BrD” and resid 102 and name HN))

2.600
1.700
1.700 peak
2681
weight
0.11000E+01 volume
0.68597E+03 ppm1
8.694
ppm2
9.157

ASSI {2711}

((segid “BrD” and resid 104 and name HN))

((segid “BrD” and resid 104 and name HA))

2.600
1.700
1.700 peak
2711
weight
0.11000E+01 volume
0.66065E+03 ppm1
7.763
ppm2
4.690

ASSI {2731}

((segid “BrD” and resid 104 and name HN))

((segid “BrD” and resid 103 and name HN))

2.800
2.000
2.000 peak
2731
weight
0.11000E+01 volume
0.40496E+03 ppm1
7.763
ppm2
8.680

ASSI {2751}

((segid “BrD” and resid 104 and name HN))

((segid “BrD” and resid 105 and name HN))

2.700
1.800
1.800 peak
2751
weight
0.11000E+01 volume
0.54532E+03 ppm1
7.763
ppm2
8.475

ASSI {2771}

((segid “BrD” and resid 79 and name HN))

(segid “BrD” and resid 78 and name HD1 %)

3.900
3.800
1.600 peak
2771
weight
0.11000E+01 volume
0.50980E+02 ppm1
8.685
ppm2
0.788

ASSI {2781}

((segid “BrD” and resid 81 and name HN))

((segid “BrD” and resid 81 and name HA))

3.300
2.700
2.200 peak
2781
weight
0.11000E+01 volume
0.15663E+03 ppm1
7.640
ppm2
3.711

ASSI {2791}

((segid “BrD” and resid 81 and name HN))

((segid “BrD” and resid 81 and name HB))

2.500
1.400
1.600 peak
2791
weight
0.11000E+01 volume
0.72728E+03 ppm1
7.640
ppm2
2.037

ASSI {2801}

((segid “BrD” and resid 81 and name HN))

(segid “BrD” and resid 81 and name HG1 %)

2.500
1.600
1.600 peak
2801
weight
0.11000E+01 volume
0.82553E+03 ppm1
7.640
ppm2
1.071

ASSI {2811}

((segid “BrD” and resid 81 and name HN))

(segid “BrD” and resid 81 and name HG2 %)

3.100
2.400
2.400 peak
2811
weight
0.11000E+01 volume
0.22921E+03 ppm1
7.640
ppm2
0.751

ASSI {2821}

((segid “BrD” and resid 82 and name HN))

(segid “BrD” and resid 82 and name HD %)

3.000
2.200
2.200 peak
2821
weight
0.11000E+01 volume
0.28368E+03 ppm1
6.981
ppm2
7.258

ASSI {2831}

((segid “BrD” and resid 82 and name HN))

((segid “BrD” and resid 82 and name HA))

2.800
2.000
2.000 peak
2831
weight
0.11000E+01 volume
0.42147E+03 ppm1
6.981
ppm2
4.738

ASSI {2841}

((segid “BrD” and resid 82 and name HN))

((segid “BrD” and resid 82 and name HB1))

3.000
2.200
2.200 peak
2841
weight
0.11000E+01 volume
0.27134E+03 ppm1
6.981
ppm2
3.706

ASSI {2851}

((segid “BrD” and resid 82 and name HN))

((segid “BrD” and resid 82 and name HB2))

2.600
1.700
1.700 peak
2851
weight
0.11000E+01 volume
0.58897E+03 ppm1
6.981
ppm2
3.556

ASSI {2871}

((segid “BrD” and resid 81 and name HN))

((segid “BrD” and resid 82 and name HN))

2.800
2.000
2.000 peak
2871
weight
0.11000E+01 volume
0.36428E+03 ppm1
7.640
ppm2
6.966

ASSI {2891}

((segid “BrD” and resid 82 and name HN))

((segid “BrD” and resid 83 and name HN))

2.800
2.000
2.000 peak
2891
weight
0.11000E+01 volume
0.41793E+03 ppm1
6.981
ppm2
9.658

ASSI {2901}

((segid “BrD” and resid 79 and name HN))

(segid “BrD” and resid 78 and name HD2 %)

3.900
3.800
1.600 peak
2901
weight
0.11000E+01 volume
0.52951E+02 ppm1
5.684
ppm2
0.666

ASSI {2911}

((segid “BrD” and resid 80 and name HN))

((segid “BrD” and resid 80 and name HA))

2.500
1.600
1.600 peak
2911
weight
0.11000E+01 volume
0.82068E+03 ppm1
8.005
ppm2
4.678

ASSI {2921}

((segid “BrD” and resid 80 and name HN))

((segid “BrD” and resid 81 and name HN))

2.700
1.800
1.800 peak
2921
weight
0.11000E+01 volume
0.47132E+03 ppm1
8.006
ppm2
7.632

ASSI {2941}

((segid “BrD” and resid 83 and name HN))

(segid “BrD” and resid 82 and name HD %)

3.400
2.900
2.100 peak
2941
weight
0.11000E+01 volume
0.12712E+03 ppm1
9.658
ppm2
7.248

ASSI {2951}

((segid “BrD” and resid 79 and name HN))

((segid “BrD” and resid 79 and name HA))

2.600
2.700
1.700 peak
2951
weight
0.11000E+01 volume
0.57656E+03 ppm1
8.681
ppm2
4.406

ASSI {2961}

((segid “BrD” and resid 79 and name HN))

((segid “BrD” and resid 79 and name HG1))

2.900
2.100
2.100 peak
2961
weight
0.11000E+01 volume
0.30890E+03 ppm1
8.681
ppm2
3.055

ASSI {2971}

((segid “BrD” and resid 79 and name HN))

((segid “BrD” and resid 79 and name HB2))

2.500
1.600
1.600 peak
2971
weight
0.11000E+01 volume
0.75107E+03 ppm1
8.679
ppm2
2.684

ASSI {2981}

((segid “BrD” and resid 80 and name HN))

((segid “BrD” and resid 79 and name HN))

2.700
1.800
1.800 peak
2981
weight
0.11000E+01 volume
0.45960E+03 ppm1
8.006
ppm2
8.676

ASSI {3001}

((segid “BrD” and resid 74 and name HN))

((segid “BrD” and resid 72 and name HA))

3.500
3.100
2.000 peak
3001
weight
0.11000E+01 volume
0.98034E+02 ppm1
7.536
ppm2
4.666

ASSI {3011}

((segid “BrD” and resid 73 and name HN))

((segid “BrD” and resid 73 and name HA))

2.600
1.700
1.700 peak
3011
weight
0.11000E+01 volume
0.57896E+03 ppm1
8.045
ppm2
4.811

ASSI {3021}

((segid “BrD” and resid 73 and name HN))

((segid “BrD” and resid 74 and name HN))

2.800
2.000
2.000 peak
3021
weight
0.11000E+01 volume
0.42186E+03 ppm1
8.049
ppm2
7.542

ASSI {3041}

((segid “BrD” and resid 64 and name HN))

((segid “BrD” and resid 63 and name HA))

3.100
2.400
2.400 peak
3041
weight
0.11000E+01 volume
0.20596E+03 ppm1
8.584
ppm2
5.298

ASSI {3051}

((segid “BrD” and resid 64 and name HN))

((segid “BrD” and resid 64 and name HA))

2.600
1.700
1.700 peak
3051
weight
0.11000E+01 volume
0.63768E+03 ppm1
8.584
ppm2
4.940

ASSI {3061}

((segid “BrD” and resid 63 and name HN))

((segid “BrD” and resid 63 and name HA))

2.900
2.100
2.100 peak
3061
weight
0.11000E+01 volume
0.33289E+03 ppm1
9.473
ppm2
5.302

ASSI {3071}

((segid “BrD” and resid 63 and name HN))

((segid “BrD” and resid 64 and name HN))

2.600
1.700
1.700 peak
3071
weight
0.11000E+01 volume
0.68875E+03 ppm1
9.478
ppm2
8.565

ASSI {3091}

((segid “BrD” and resid 38 and name HN))

((segid “BrD” and resid 38 and name HA))

3.100
2.400
2.400 peak
3091
weight
0.11000E+01 volume
0.21794E+03 ppm1
6.732
ppm2
4.166

ASSI {3101}

((segid “BrD” and resid 38 and name HN))

((segid “BrD” and resid 38 and name HB))

2.500
1.600
1.600 peak
3101
weight
0.11000E+01 volume
0.76036E+03 ppm1
8.731
ppm2
1.767

ASSI {3111}

((segid “BrD” and resid 38 and name HN))

(segid “BrD” and resid 38 and name HG1 %)

2.400
1.400
1.400 peak
3111
weight
0.11000E+01 volume
0.94284E+03 ppm1
8.733
ppm2
1.071

ASSI {3121}

((segid “BrD” and resid 38 and name HN))

(segid “BrD” and resid 38 and name HG2 %)

4.000
4.000
1.500 peak
3121
weight
0.11000E+01 volume
0.47989E+02 ppm1
8.732
ppm2
0.784

ASSI {3131}

((segid “BrD” and resid 39 and name HN))

((segid “BrD” and resid 39 and name HA))

3.600
3.200
1.900 peak
3131
weight
0.11000E+01 volume
0.90084E+02 ppm1
9.653
ppm2
4.977

ASSI {3141}

((segid “BrD” and resid 58 and name HN))

((segid “BrD” and resid 58 and name HA))

2.900
2.100
2.100 peak
3141
weight
0.11000E+01 volume
0.34424E+03 ppm1
10.051
ppm2
4.451

ASSI {3151}

((segid “BrD” and resid 58 and name HN))

((segid “BrD” and resid 58 and name HB))

2.900
2.100
2.100 peak
3151
weight
0.11000E+01 volume
0.30448E+03 ppm1
10.052
ppm2
4.686

ASSI {3161}

((segid “BrD” and resid 58 and name HN))

(segid “BrD” and resid 58 and name HG2 %)

3.700
3.400
1.800 peak
3161
weight
0.11000E+01 volume
0.68430E+02 ppm1
10.051
ppm2
1.674

ASSI {3171}

((segid “BrD” and resid 57 and name HN))

((segid “BrD” and resid 57 and name HA))

2.700
1.800
1.800 peak
3171
weight
0.11000E+01 volume
0.45739E+03 ppm1
9.359
ppm2
4.809

ASSI {3191}

((segid “BrD” and resid 58 and name HN))

((segid “BrD” and resid 57 and name HN))

2.600
1.700
1.700 peak
3191
weight
0.11000E+01 volume
0.55403E+03 ppm1
10.051
ppm2
9.351

ASSI {3201}

((segid “BrD” and resid 56 and name HN))

((segid “BrD” and resid 56 and name HA))

3.100
2.400
2.400 peak
3201
weight
0.11000E+01 volume
0.22011E+03 ppm1
9.678
ppm2
4.622

ASSI {3221}

((segid “BrD” and resid 57 and name HN))

((segid “BrD” and resid 56 and name HN))

3.100
2.400
2.400 peak
3221
weight
0.11000E+01 volume
0.21874E+03 ppm1
9.359
ppm2
9.662

ASSI {3231}

((segid “BrD” and resid 79 and name HN))

((segid “BrD” and resid 78 and name HB2))

3.200
2.600
2.300 peak
3231
weight
0.11000E+01 volume
0.19421E+03 ppm1
8.680
ppm2
1.049

ASSI {3241}

((segid “BrD” and resid 55 and name HN))

((segid “BrD” and resid 55 and name HA))

2.600
1.700
1.700 peak
3241
weight
0.11000E+01 volume
0.57256E+03 ppm1
7.973
ppm2
5.343

ASSI {3251}

((segid “BrD” and resid 55 and name HN))

((segid “BrD” and resid 55 and name HB1))

3.200
2.600
2.300 peak
3251
weight
0.11000E+01 volume
0.19260E+03 ppm1
7.975
ppm2
2.971

ASSI {3271}

((segid “BrD” and resid 16 and name HN))

((segid “BrD” and resid 16 and name HA))

2.500
1.600
1.600 peak
3271
weight
0.11000E+01 volume
0.81267E+03 ppm1
8.792
ppm2
4.514

ASSI {3281}

((segid “BrD” and resid 15 and name HN))

((segid “BrD” and resid 11 and name HA))

3.600
3.200
1.900 peak
3281
weight
0.11000E+01 volume
0.88613E+02 ppm1
8.599
ppm2
4.936

ASSI {3291}

((segid “BrD” and resid 15 and name HN))

((segid “BrD” and resid 15 and name HA))

3.000
2.200
2.200 peak
3291
weight
0.11000E+01 volume
0.23859E+03 ppm1
8.599
ppm2
4.615

ASSI {3301}

((segid “BrD” and resid 15 and name HN))

((segid “BrD” and resid 15 and name HB1))

2.600
1.700
1.700 peak
3301
weight
0.11000E+01 volume
0.66455E+03 ppm1
8.598
ppm2
3.809

ASSI {3311}

((segid “BrD” and resid 15 and name HN))

((segid “BrD” and resid 15 and name HB2))

2.500
1.600
1.600 peak
3311
weight
0.11000E+01 volume
0.74771E+03 ppm1
8.598
ppm2
3.634

ASSI {3331}

((segid “BrD” and resid 16 and name HN))

((segid “BrD” and resid 15 and name HN))

2.500
1.600
1.600 peak
3331
weight
0.11000E+01 volume
0.87721E+03 ppm1
8.793
ppm2
8.628

ASSI {3341}

((segid “BrD” and resid 13 and name HN))

((segid “BrD” and resid 13 and name HA))

3.200
2.600
2.300 peak
3341
weight
0.11000E+01 volume
0.16876E+03 ppm1
8.801
ppm2
4.773

ASSI {3351}

((segid “BrD” and resid 14 and name HN))

((segid “BrD” and resid 14 and name HA))

3.300
2.700
2.200 peak
3351
weight
0.11000E+01 volume
0.15715E+03 ppm1
8.811
ppm2
4.651

ASSI {3381}

((segid “BrD” and resid 13 and name HN))

((segid “BrD” and resid 13 and name HB1))

2.300
1.300
1.300 peak
3381
weight
0.11000E+01 volume
0.12106E+04 ppm1
8.807
ppm2
2.758

ASSI {3391}

((segid “BrD” and resid 14 and name HN))

((segid “BrD” and resid 11 and name HA))

3.300
2.700
2.200 peak
3391
weight
0.11000E+01 volume
0.15172E+03 ppm1
8.809
ppm2
4.939

ASSI {3412}

((segid “BrD” and resid 34 and name HN))

((segid “BrD” and resid 34 and name HA))

2.800
2.000
2.000 peak
3411
weight
0.11000E+01 volume
0.39310E+03 ppm1
8.176
ppm2
5.542

ASSI {3421}

((segid “BrD” and resid 34 and name HN))

((segid “BrD” and resid 34 and name HB1))

3.600
3.200
2.900 peak
3421
weight
0.11000E+01 volume
0.86584E+02 ppm1
8.182
ppm2
4.098

ASSI {3431}

((segid “BrD” and resid 34 and name HN))

((segid “BrD” and resid 34 and name HB2))

2.700
1.800
1.800 peak
3431
weight
0.11000E+01 volume
0.51957E+03 ppm1
8.182
ppm2
3.143

ASSI {3441}

((segid “BrD” and resid 35 and name HN))

((segid “BrD” and resid 34 and name HB2))

3.300
2.700
2.200 peak
3441
weight
0.11000E+01 volume
0.14464E+03 ppm1
7.735
ppm2
3.139

ASSI {3451}

((segid “BrD” and resid 35 and name HN))

((segid “BrD” and resid 35 and name HA))

2.800
2.000
2.000 peak
3451
weight
0.11000E+01 volume
0.42792E+03 ppm1
7.734
ppm2
4.899

ASSI {3461}

((segid “BrD” and resid 35 and name HN))

((segid “BrD” and resid 35 and name HG1)

2.700
1.800
1.800 peak
3461
weight
0.11000E+01 volume
0.54517E+03 ppm1
7.734
ppm2
3.436

ASSI {3471}

((segid “BrD” and resid 35 and name HN))

((segid “BrD” and resid 35 and name HB2))

3.300
2.700
2.200 peak
3471
weight
0.11000E+01 volume
0.15293E+03 ppm1
7.733
ppm2
2.781

ASSI {3491}

((segid “BrD” and resid 34 and name HN))

((segid “BrD” and resid 35 and name HN))

2.200
1.200
1.200 peak
3491
weight
0.11000E+01 volume
0.15285E+04 ppm1
8.176
ppm2
7.714

ASSI {3501}

((segid “BrD” and resid 36 and name HN))

((segid “BrD” and resid 36 and name HA))

2.600
1.700
1.700 peak
3501
weight
0.11000E+01 volume
0.56896E+03 ppm1
8.310
ppm2
5.456

ASSI {3511}

((segid “BrD” and resid 36 and name HN))

((segid “BrD” and resid 36 and name HG1))

3.700
3.400
1.800 peak
3511
weight
0.11000E+01 volume
0.72744E+02 ppm1
8.308
ppm2
2.771

ASSI {3521}

((segid “BrD” and resid 36 and name HN))

((segid “BrD” and resid 36 and name HB2))

2.600
1.700
1.700 peak
3521
weight
0.11000E+01 volume
0.65455E+03 ppm1
8.311
ppm2
2.337

ASSI {3541}

((segid “BrD” and resid 35 and name HN))

((segid “BrD” and resid 36 and name HN))

2.700
1.800
1.800 peak
3541
weight
0.11000E+01 volume
0.54251E+03 ppm1
7.734
ppm2
8.316

ASSI {3561}

((segid “BrD” and resid 12 and name HN))

((segid “BrD” and resid 12 and name HA))

2.100
1.100
1.100 peak
3561
weight
0.11000E+01 volume
0.19935E+04 ppm1
9.021
ppm2
5.292

ASSI {3571}

((segid “BrD” and resid 12 and name HN))

((segid “BrD” and resid 12 and name HB1))

2.700
1.800
1.800 peak
3571
weight
0.11000E+01 volume
0.46239E+03 ppm1
9.020
ppm2
3.428

ASSI {3581}

((segid “BrD” and resid 10 and name HN))

((segid “BrD” and resid 10 and name HA))

3.500
3.100
2.000 peak
3581
weight
0.11000E+01 volume
0.10021E+03 ppm1
8.885
ppm2
5.481

ASSI {3591}

((segid “BrD” and resid 10 and name HN))

((segid “BrD” and resid 10 and name HB1))

3.000
2.200
2.200 peak
3591
weight
0.11000E+01 volume
0.27522E+03 ppm1
8.885
ppm2
3.3$$1

ASSI {3611}

((segid “BrD” and resid 9 and name HN))

((segid “BrD” and resid 9 and name HB1))

2.900
2.100
2.100 peak
3611
weight
0.11000E+01 volume
0.31864E+03 ppm1
9.054
ppm2
2.444

ASSI {3621}

((segid “BrD” and resid 9 and name HN))

((segid “BrD” and resid 10 and name HN))

3.500
3.100
2.000 peak
3621
weight
0.11000E+01 volume
0.11024E+03 ppm1
9.054
ppm2
8.880

ASSI {3641}

((segid “BrD” and resid 62 and name HN))

((segid “BrD” and resid 62 and name HD1))

3.400
2.900
2.100 peak
3641
weight
0.11000E+01 volume
0.12186E+03 ppm1
8.998
ppm2
3.185

ASSI {3651}

((segid “BrD” and resid 62 and name HN))

((segid “BrD” and resid 61 and name HG2))

3.000
2.200
2.200 peak
3651
weight
0.11000E+01 volume
0.24395E+03 ppm1
8.999
ppm2
2.783

ASSI {3661}

((segid “BrD” and resid 62 and name HN))

((segid “BrD” and resid 62 and name HG1))

2.600
1.700
1.700 peak
3661
weight
0.11000E+01 volume
0.63487E+03 ppm1
8.997
ppm2
2.329

ASSI {3681}

((segid “BrD” and resid 7 and name HN))

((segid “BrD” and resid 7 and name HA))

3.100
2.400
2.400 peak
3681
weight
0.11000E+01 volume
0.21276E+03 ppm1
8.924
ppm2
5.147

ASSI {3691}

((segid “BrD” and resid 7 and name HN))

((segid “BrD” and resid 7 and name HG1))

3.400
2.900
2.100 peak
3691
weight
0.11000E+01 volume
0.12947E+03 ppm1
8.923
ppm2
2.878

ASSI {3701}

((segid “BrD” and resid 7 and name HN))

((segid “BrD” and resid 7 and name HB1))

3.100
2.400
2.400 peak
3701
weight
0.11000E+01 volume
0.20103E+03 ppm1
8.923
ppm2
2.631

ASSI {3711}

((segid “BrD” and resid 7 and name HN))

((segid “BrD” and resid 7 and name HB2))

2.700
1.800
1.800 peak
3711
weight
0.11000E+01 volume
0.54229E+03 ppm1
8.924
ppm2
2.500

ASSI {3721}

((segid “BrD” and resid 79 and name HN))

((segid “BrD” and resid 78 and name HG))

2.800
2.000
2.000 peak
3721
weight
0.11000E+01 volume
0.38659E+03 ppm1
8.681
ppm2
1.314

ASSI {3731}

((segid “BrD” and resid 78 and name HN))

((segid “BrD” and resid 78 and name HA))

2.500
1.600
1.600 peak
3731
weight
0.11000E+01 volume
0.73125E+03 ppm1
7.996
ppm2
4.004

ASSI {3741}

((segid “BrD” and resid 118 and name HN))

((segid “BrD” and resid 118 and name HA))

2.900
2.100
2.100 peak
3741
weight
0.11000E+01 volume
0.30830E+03 ppm1
8.381
ppm2
4.689

ASSI {3761}

((segid “BrD” and resid 54 and name HN))

((segid “BrD” and resid 54 and name HA))

2.900
2.100
2.100 peak
3761
weight
0.11000E+01 volume
0.30432E+03 ppm1
9.036
ppm2
5.546

ASSI {3771}

((segid “BrD” and resid 54 and name HN))

((segid “BrD” and resid 54 and name HB1))

3.400
2.900
2.100 peak
3771
weight
0.11000E+01 volume
0.12504E+03 ppm1
9.036
ppm2
2.596

ASSI {3781}

((segid “BrD” and resid 54 and name HN))

((segid “BrD” and resid 54 and name HB2))

3.600
3.200
1.900 peak
3781
weight
0.11000E+01 volume
0.92666E+02 ppm1
9.037
ppm2
1.960

ASSI {3791}

((segid “BrD” and resid 62 and name HN))

((segid “BrD” and resid 59 and name HA))

3.200
2.600
2.300 peak
3791
weight
0.11000E+01 volume
0.18605E+03 ppm1
8.998
ppm2
4.900

ASSI {3801}

((segid “BrD” and resid 62 and name HN))

((segid “BrD” and resid 62 and name HA))

2.800
2.000
2.000 peak
3801
weight
0.11000E+01 volume
0.36964E+03 ppm1
8.998
ppm2
4.467

ASSI {3811}

((segid “BrD” and resid 72 and name HN))

(segid “BrD” and resid 72 and name HA))

3.000
2.200
2.200 peak
3811
weight
0.11000E+01 volume
0.24473E+03 ppm1
8.858
ppm2
4.648

ASSI {3821}

((segid “BrD” and resid 72 and name HN))

((segid “BrD” and resid 73 and name HN))

3.700
3.400
1.800 peak
3821
weight
0.11000E+01 volume
0.74895E+02 ppm1
8.858
ppm2
8.033

ASSI {3851}

((segid “BrD” and resid 61 and name HN))

((segid “BrD” and resid 61 and name HA))

2.500
1.600
1.600 peak
3851
weight
0.11000E+01 volume
0.82145E+03 ppm1
8.748
ppm2
4.652

ASSI {3861}

((segid “BrD” and resid 65 and name HN))

((segid “BrD” and resid 62 and name HA))

3.100
2.400
2.400 peak
3861
weight
0.11000E+01 volume
0.22227E+03 ppm1
8.568
ppm2
4.476

ASSI {3871}

((segid “BrD” and resid 60 and name HN))

((segid “BrD” and resid 60 and name HA))

2.400
1.400
1.400 peak
3871
weight
0.11000E+01 volume
0.10791E+04 ppm1
8.569
ppm2
4.808

ASSI {3881}

((segid “BrD” and resid 60 and name HN))

((segid “BrD” and resid 60 and name HB2))

2.400
1.400
1.400 peak
3881
weight
0.11000E+01 volume
0.10099E+04 ppm1
8.569
ppm2
4.647

ASSI {3891}

((segid “BrD” and resid 60 and name HN))

((segid “BrD” and resid 60 and name HB1))

2.600
1.700
1.700 peak
3891
weight
0.11000E+01 volume
0.65212E+03 ppm1
8.560
ppm2
4.975

ASSI {3901}

((segid “BrD” and resid 59 and name HN))

((segid “BrD” and resid 59 and name HA))

3.200
2.600
2.300 peak
3901
weight
0.11000E+01 volume
0.16755E+03 ppm1
8.497
ppm2
4.893

ASSI {3921}

((segid “BrD” and resid 7 and name HN))

((segid “BrD” and resid 6 and name HA))

2.600
1.700
1.700 peak
3921
weight
0.11000E+01 volume
0.63166E+03 ppm1
8.924
ppm2
4.968

ASSI {3931}

((segid “BrD” and resid 10 and name HN))

((segid “BrD” and resid 9 and name HA))

2.600
1.700
1.700 peak
3931
weight
0.11000E+01 volume
0.55346E+03 ppm1
8.884
ppm2
4.938

ASSI {3941}

((segid “BrD” and resid 13 and name HN))

((segid “BrD” and resid 12 and name HA))

3.200
2.600
2.300 peak
3941
weight
0.11000E+01 volume
0.18205E+03 ppm1
8.809
ppm2
5.299

ASSI {3951}

((segid “BrD” and resid 16 and name HN))

((segid “BrD” and resid 15 and name HB1))

3.300
2.700
2.200 peak
3951
weight
0.11000E+01 volume
0.13722E+03 ppm1
8.793
ppm2
3.818

ASSI {3961}

((segid “BrD” and resid 16 and name HN))

((segid “BrD” and resid 15 and name HB2))

2.500
1.600
1.600 peak
3961
weight
0.11000E+01 volume
0.74092E+03 ppm1
8.793
ppm2
3.631

ASSI {3971}

((segid “BrD” and resid 17 and name HN))

((segid “BrD” and resid 16 and name HA))

2.500
1.600
1.600 peak
3971
weight
0.11000E+01 volume
0.82695E+03 ppm1
8.669
ppm2
4.516

ASSI {3991}

((segid “BrD” and resid 18 and name HN))

((segid “BrD” and resid 18 and name HA))

3.000
2.200
2.200 peak
3991
weight
0.11000E+01 volume
0.24581E+03 ppm1
9.072
ppm2
3.878

ASSI {4001}

((segid “BrD” and resid 18 and name HN))

((segid “BrD” and resid 17 and name HB))

2.800
2.000
2.000 peak
4001
weight
0.11000E+01 volume
0.36663E+03 ppm1
9.072
ppm2
4.854

ASSI {4011}

((segid “BrD” and resid 14 and name HN))

((segid “BrD” and resid 17 and name HA))

3.200
2.600
2.300 peak
4011
weight
0.11000E+01 volume
0.18724E+03 ppm1
9.072
ppm2
4.531

ASSI {4021}

((segid “BrD” and resid 18 and name HN))

(segid “BrD” and resid 17 and name HG2 %)

3.100
2.400
2.400 peak
4021
weight
0.11000E+01 volume
0.23212E+03 ppm1
9.073
ppm2
1.749

ASSI {4041}

((segid “BrD” and resid 17 and name HN))

((segid “BrD” and resid 18 and name HN))

2.600
1.700
1.700 peak
4041
weight
0.11000E+01 volume
0.57514E+03 ppm1
8.669
ppm2
9.062

ASSI {4051}

((segid “BrD” and resid 19 and name HN))

((segid “BrD” and resid 18 and name HA))

3.500
3.100
2.000 peak
4051
weight
0.11000E+01 volume
0.95460E+02 ppm1
9.187
ppm2
3.878

ASSI {4061}

((segid “BrD” and resid 20 and name HN))

((segid “BrD” and resid 19 and name HA))

3.200
2.600
2.300 peak
4061
weight
0.11000E+01 volume
0.17148E+03 ppm1
8.146
ppm2
4.288

ASSI {4071}

((segid “BrD” and resid 21 and name HN))

((segid “BrD” and resid 20 and name HA))

3.400
2.900
2.100 peak
4071
weight
0.11000E+01 volume
0.11425E+03 ppm1
8.545
ppm2
4.889

ASSI {4081}

((segid “BrD” and resid 22 and name HN))

((segid “BrD” and resid 21 and name HA))

3.300
2.700
2.200 peak
4081
weight
0.11000E+01 volume
0.15238E+03 ppm1
9.457
ppm2
4.361

ASSI {4091}

((segid “BrD” and resid 23 and name HN))

((segid “BrD” and resid 22 and name HA))

3.600
3.200
1.900 peak
4091
weight
0.11000E+01 volume
0.91130E+02 ppm1
9.118
ppm2
4.734

ASSI {4101}

((segid “BrD” and resid 24 and name HN))

((segid “BrD” and resid 23 and name HA))

3.500
3.100
2.000 peak
4101
weight
0.11000E+01 volume
0.11008E+03 ppm1
8.661
ppm2
4.640

ASSI {4111}

((segid “BrD” and resid 25 and name HN))

((segid “BrD” and resid 24 and name HA))

3.300
2.700
2.200 peak
4111
weight
0.11000E+01 volume
0.14843E+03 ppm1
9.133
ppm2
4.753

ASSI {4121}

((segid “BrD” and resid 25 and name HN))

((segid “BrD” and resid 24 and name HG2))

2.500
1.600
1.600 peak
4121
weight
0.11000E+01 volume
0.87462E+03 ppm1
9.131
ppm2
3.059

ASSI {4141}

((segid “BrD” and resid 27 and name HN))

((segid “BrD” and resid 26 and name HA))

3.200
2.600
2.300 peak
4141
weight
0.11000E+01 volume
0.18491E+03 ppm1
8.171
ppm2
4.493

ASSI {4151}

((segid “BrD” and resid 28 and name HN))

((segid “BrD” and resid 27 and name HA))

3.300
2.700
2.300 peak
4151
weight
0.11000E+01 volume
0.14739E+03 ppm1
8.166
ppm2
5.055

ASSI {4161}

((segid “BrD” and resid 29 and name HN))

((segid “BrD” and resid 28 and name HA))

2.400
1.400
1.400 peak
4161
weight
0.11000E+01 volume
0.91502E+03 ppm1
9.151
ppm2
4.574

ASSI {4171}

((segid “BrD” and resid 29 and name HN))

((segid “BrD” and resid 28 and name HB1))

3.400
2.900
2.100 peak
4171
weight
0.11000E+01 volume
0.11906E+03 ppm1
9.151
ppm2
3.597

ASSI {4181}

((segid “BrD” and resid 29 and name HN))

((segid “BrD” and resid 28 and name HB2))

3.800
3.600
1.700 peak
4181
weight
0.11000E+01 volume
0.65813E+02 ppm1
9.152
ppm2
3.406

ASSI {4191}

((segid “BrD” and resid 30 and name HN))

((segid “BrD” and resid 29 and name HA))

3.600
3.200
1.900 peak
4191
weight
0.11000E+01 volume
0.88464E+02 ppm1
12.275
ppm2
4.819

ASSI {4201}

((segid “BrD” and resid 30 and name HN))

((segid “BrD” and resid 29 and name HB1))

3.400
2.900
2.100 peak
4201
weight
0.11000E+01 volume
0.11541E+03 ppm1
12.275
ppm2
2.718

ASSI {4211}

((segid “BrD” and resid 30 and name HN))

((segid “BrD” and resid 29 and name HG1))

3.600
3.200
1.900 peak
4211
weight
0.11000E+01 volume
0.88536E+02 ppm1
12.275
ppm2
3.024

ASSI {4221}

((segid “BrD” and resid 31 and name HN))

((segid “BrD” and resid 30 and name HA))

3.600
3.200
1.900 peak
4221
weight
0.11000E+01 volume
0.86531E+02 ppm1
8.481
ppm2
5.449

ASSI {4231}

((segid “BrD” and resid 31 and name HN))

((segid “BrD” and resid 30 and name HB1))

3.000
2.200
2.200 peak
4231
weight
0.11000E+01 volume
0.23699E+03 ppm1
8.480
ppm2
4.941

ASSI {4241}

((segid “BrD” and resid 31 and name HN))

((segid “BrD” and resid 30 and name HB2))

3.500
3.100
2.000 peak
4241
weight
0.11000E+01 volume
0.10932E+03 ppm1
8.480
ppm2
4.533

ASSI {4251}

((segid “BrD” and resid 68 and name HN))

((segid “BrD” and resid 67 and name HB1))

2.700
1.800
2.800 peak
4251
weight
0.11000E+01 volume
0.47519E+03 ppm1
8.627
ppm2
3.555

ASSI {4261}

((segid “BrD” and resid 32 and name HN))

(segid “BrD” and resid 31 and name HB %)

2.900
2.100
2.100 peak
4261
weight
0.11000E+01 volume
0.35188E+03 ppm1
7.739
ppm2
2.295

ASSI {4271}

((segid “BrD” and resid 32 and name HN))

((segid “BrD” and resid 31 and name HN))

2.300
1.300
1.300 peak
4271
weight
0.11000E+01 volume
0.11812E+04 ppm1
7.739
ppm2
8.475

ASSI {4291}

((segid “BrD” and resid 35 and name HN))

((segid “BrD” and resid 34 and name HA))

3.200
2.600
2.300 peak
4291
weight
0.11000E+01 volume
0.17960E+03 ppm1
7.734
ppm2
5.537

ASSI {4301}

((segid “BrD” and resid 36 and name HN))

((segid “BrD” and resid 37 and name HD1))

3.500
3.100
2.000 peak
4301
weight
0.11000E+01 volume
0.97101E+02 ppm1
8.309
ppm2
4.277

ASSI {4311}

((segid “BrD” and resid 36 and name HN))

((segid “BrD” and resid 35 and name HA))

3.300
2.700
2.200 peak
4311
weight
0.11000E+01 volume
0.16106E+03 ppm1
8.308
ppm2
4.893

ASSI {4321}

((segid “BrD” and resid 36 and name HN))

((segid “BrD” and resid 35 and name HG1))

3.700
3.400
1.800 peak
4321
weight
0.11000E+01 volume
0.78555E+02 ppm1
8.307
ppm2
3.458

ASSI {4331}

((segid “BrD” and resid 39 and name HN))

((segid “BrD” and resid 38 and name HA))

2.200
1.200
1.200 peak
4331
weight
0.11000E+01 volume
0.15683E+04 ppm1
9.652
ppm2
4.160

ASSI {4341}

((segid “BrD” and resid 39 and name HN))

((segid “BrD” and resid 38 and name HB))

3.400
2.900
2.100 peak
4341
weight
0.11000E+01 volume
0.11939E+03 ppm1
9.652
ppm2
1.752

ASSI {4351}

((segid “BrD” and resid 39 and name HN))

(segid “BrD” and resid 38 and name HG1 %)

3.600
3.200
1.900 peak
4351
weight
0.11000E+01 volume
0.93234E+02 ppm1
9.652
ppm2
1.071

ASSI {4361}

((segid “BrD” and resid 39 and name HN))

(segid “BrD” and resid 38 and name HG2 %)

3.100
2.400
2.400 peak
4361
weight
0.11000E+01 volume
0.20061E+03 ppm1
9.652
ppm2
0.776

ASSI {4381}

((segid “BrD” and resid 43 and name HN))

((segid “BrD” and resid 42 and name HA))

2.900
2.100
2.100 peak
4381
weight
0.11000E+01 volume
0.31481E+03 ppm1
8.001
ppm2
5.055

ASSI {4391}

((segid “BrD” and resid 43 and name HN))

((segid “BrD” and resid 42 and name HB2))

2.800
2.000
2.000 peak
4391
weight
0.11000E+01 volume
0.36989E+03 ppm1
8.001
ppm2
2.607

ASSI {4401}

((segid “BrD” and resid 43 and name HN))

((segid “BrD” and resid 42 and name HB1))

2.900
2.100
2.100 peak
4401
weight
0.11000E+01 volume
0.32280E+03 ppm1
8.001
ppm2
2.781

ASSI {4411}

((segid “BrD” and resid 36 and name HN))

((segid “BrD” and resid 36 and name HB1))

2.800
2.000
2.000 peak
4411
weight
0.11000E+01 volume
0.42122E+03 ppm1
8.308
ppm2
2.698

ASSI {4421}

((segid “BrD” and resid 47 and name HN))

((segid “BrD” and resid 46 and name HA))

3.300
2.700
2.200 peak
4421
weight
0.11000E+01 volume
0.14320E+03 ppm1
8.832
ppm2
4.139

ASSI {4431}

((segid “BrD” and resid 47 and name HN))

((segid “BrD” and resid 46 and name HB1)

3.500
3.100
2.000 peak
4431
weight
0.11000E+01 volume
0.11013E+03 ppm1
8.832
ppm2
3.296

ASSI {4441}

((segid “BrD” and resid 47 and name HN))

((segid “BrD” and resid 46 and name HB2))

3.100
2.400
2.400 peak
4441
weight
0.11000E+01 volume
0.20297E+03 ppm1
8.833
ppm2
3.094

ASSI {4451}

((segid “BrD” and resid 48 and name HN))

((segid “BrD” and resid 47 and name HA))

3.200
2.600
2.300 peak
4451
weight
0.11000E+01 volume
0.16849E+03 ppm1
8.307
ppm2
4.708

ASSI {4461}

((segid “BrD” and resid 49 and name HN))

((segid “BrD” and resid 48 and name HA))

3.000
2.200
2.200 peak
4461
weight
0.11000E+01 volume
0.24376E+03 ppm1
7.762
ppm2
4.816

ASSI {4471}

((segid “BrD” and resid 49 and name HN))

((segid “BrD” and resid 48 and name HG2))

4.000
4.000
1.500 peak
4471
weight
0.11000E+01 volume
0.45441E+02 ppm1
7.762
ppm2
2.872

ASSI {4481}

((segid “BrD” and resid 49 and name HN))

((segid “BrD” and resid 48 and name HB1))

3.200
2.600
2.300 peak
4481
weight
0.11000E+01 volume
0.17937E+03 ppm1
7.762
ppm2
2.693

ASSI {4491}

((segid “BrD” and resid 50 and name HN))

((segid “BrD” and resid 49 and name HA))

2.600
1.700
1.700 peak
4491
weight
0.11000E+01 volume
0.60014E+03 ppm1
8.564
ppm2
4.693

ASSI {4501}

((segid “BrD” and resid 50 and name HN))

((segid “BrD” and resid 49 and name HB))

2.900
2.100
2.100 peak
4501
weight
0.11000E+01 volume
0.31627E+03 ppm1
8.564
ppm2
2.622

ASSI {4511}

((segid “BrD” and resid 50 and name HN))

((segid “BrD” and resid 49 and name HG2 %)

3.700
3.400
1.800 peak
4511
weight
0.11000E+01 volume
0.77577E+02 ppm1
8.564
ppm2
1.598

ASSI {4521}

((segid “BrD” and resid 55 and name HN))

((segid “BrD” and resid 54 and name HA))

2.300
1.300
1.300 peak
4521
weight
0.11000E+01 volume
0.11556E+04 ppm1
7.974
ppm2
5.542

ASSI {4531}

((segid “BrD” and resid 55 and name HN))

((segid “BrD” and resid 54 and name HB1))

3.700
3.400
1.800 peak
4531
weight
0.11000E+01 volume
0.71474E+02 ppm1
7.975
ppm2
2.572

ASSI {4541}

((segid “BrD” and resid 55 and name HN))

((segid “BrD” and resid 54 and name HB2))

3.100
2.400
2.400 peak
4541
weight
0.11000E+01 volume
0.20173E+03 ppm1
7.975
ppm2
1.956

ASSI {4551}

((segid “BrD” and resid 56 and name HN))

((segid “BrD” and resid 55 and name HA))

2.800
2.000
2.000 peak
4551
weight
0.11000E+01 volume
0.38353E+03 ppm1
9.676
ppm2
5.352

ASSI {4561}

((segid “BrD” and resid 56 and name HN))

((segid “BrD” and resid 55 and name HB1))

2.400
1.400
1.400 peak
4561
weight
0.11000E+01 volume
0.92127E+03 ppm1
9.679
ppm2
2.978

ASSI {4571}

((segid “BrD” and resid 57 and name HN))

((segid “BrD” and resid 56 and name HA))

3.200
2.600
2.300 peak
4571
weight
0.11000E+01 volume
0.16116E+03 ppm1
9.359
ppm2
4.648

ASSI {4581}

((segid “BrD” and resid 58 and name HN))

((segid “BrD” and resid 57 and name HA))

3.400
2.900
2.100 peak
4581
weight
0.11000E+01 volume
0.12185E+03 ppm1
10.050
ppm2
4.805

ASSI {4591}

((segid “BrD” and resid 59 and name HN))

((segid “BrD” and resid 58 and name HA))

3.400
2.900
2.100 peak
4591
weight
0.11000E+01 volume
0.13191E+03 ppm1
8.498
ppm2
4.449

ASSI {4601}

((segid “BrD” and resid 59 and name HN))

((segid “BrD” and resid 58 and name HB))

3.200
2.600
2.300 peak
4601
weight
0.11000E+01 volume
0.18613E+03 ppm1
8.498
ppm2
4.697

ASSI {4611}

((segid “BrD” and resid 59 and name HN))

(segid “BrD” and resid 58 and name HG2 %)

3.100
2.400
2.400 peak
4611
weight
0.11000E+01 volume
0.21128E+03 ppm1
8.496
ppm2
1.665

ASSI {4631}

((segid “BrD” and resid 58 and name HN))

((segid “BrD” and resid 59 and name HN))

3.200
2.600
2.300 peak
4631
weight
0.11000E+01 volume
0.17034E+03 ppm1
10.051
ppm2
8.489

ASSI {4641}

((segid “BrD” and resid 61 and name HN))

((segid “BrD” and resid 61 and name HG1))

2.400
1.400
1.400 peak
4641
weight
0.11000E+01 volume
0.89496E+03 ppm1
8.743
ppm2
2.974

ASSI {4651}

((segid “BrD” and resid 61 and name HN))

((segid “BrD” and resid 61 and name HB2))

2.500
1.600
1.600 peak
4651
weight
0.11000E+01 volume
0.72876E+03 ppm1
8.743
ppm2
2.670

ASSI {4661}

((segid “BrD” and resid 61 and name HN))

((segid “BrD” and resid 60 and name HA))

3.300
2.700
2.200 peak
4661
weight
0.11000E+01 volume
0.14220E+03 ppm1
8.749
ppm2
4.816

ASSI {4691}

((segid “BrD” and resid 60 and name HN))

((segid “BrD” and resid 61 and name HN))

2.400
1.400
1.400 peak
4691
weight
0.11000E+01 volume
0.96369E+03 ppm1
8.566
ppm2
8.734

ASSI {4701}

((segid “BrD” and resid 62 and name HN))

((segid “BrD” and resid 61 and name HA))

3.200
2.600
2.300 peak
4701
weight
0.11000E+01 volume
0.17192E+03 ppm1
8.997
ppm2
4.656

ASSI {4711}

((segid “BrD” and resid 63 and name HN))

((segid “BrD” and resid 62 and name HN))

2.800
2.000
2.000 peak
4711
weight
0.11000E+01 volume
0.35764E+03 ppm1
9.477
ppm2
8.998

ASSI {4731}

((segid “BrD” and resid 63 and name HN))

((segid “BrD” and resid 62 and name HA))

3.600
3.200
1.900 peak
4731
weight
0.11000E+01 volume
0.90728E+02 ppm1
9.472
ppm2
4.481

ASSI {4741}

((segid “BrD” and resid 65 and name HD21))

((segid “BrD” and resid 65 and name HB1))

3.500
3.100
2.000 peak
4741
weight
0.11000E+01 volume
0.10454E+03 ppm1
8.206
ppm2
3.637

ASSI {4751}

((segid “BrD” and resid 65 and name HD22))

((segid “BrD” and resid 65 and name HB1))

3.500
3.100
2.000 peak
4751
weight
0.11000E+01 volume
0.97769E+02 ppm1
7.576
ppm2
3.637

ASSI {4761}

((segid “BrD” and resid 65 and name HD21))

((segid “BrD” and resid 65 and name HB2))

3.200
2.600
2.300 peak
4761
weight
0.11000E+01 volume
0.17538E+03 ppm1
8.205
ppm2
3.393

ASSI {4771}

((segid “BrD” and resid 65 and name HD22))

((segid “BrD” and resid 65 and name HB2))

3.400
2.900
2.100 peak
4771
weight
0.11000E+01 volume
0.13182E+03 ppm1
7.576
ppm2
3.393

ASSI {4781}

((segid “BrD” and resid 24 and name HE21))

((segid “BrD” and resid 24 and name HG1))

3.400
2.900
2.100 peak
4781
weight
0.11000E+01 volume
0.11561E+03 ppm1
7.634
ppm2
3.459

ASSI {4791}

((segid “BrD” and resid 24 and name HE22))

((segid “BrD” and resid 24 and name HG1))

3.600
3.200
1.900 peak
4791
weight
0.11000E+01 volume
0.90206E+02 ppm1
7.523
ppm2
3.474

ASSI {4801}

((segid “BrD” and resid 66 and name HN))

((segid “BrD” and resid 65 and name HA))

2.700
1.800
1.800 peak
4801
weight
0.11000E+01 volume
0.48168E+03 ppm1
8.762
ppm2
5.378

ASSI {4811}

((segid “BrD” and resid 66 and name HN))

((segid “BrD” and resid 65 and name HB1))

3.400
2.900
2.100 peak
4811
weight
0.11000E+01 volume
0.11537E+03 ppm1
8.759
ppm2
3.608

ASSI {4821}

((segid “BrD” and resid 66 and name HN))

((segid “BrD” and resid 65 and name HB2))

3.300
2.700
2.200 peak
4821
weight
0.11000E+01 volume
0.13853E+03 ppm1
8.763
ppm2
3.381

ASSI {4831}

((segid “BrD” and resid 67 and name HN))

((segid “BrD” and resid 66 and name HA))

2.800
2.000
2.000 peak
4831
weight
0.11000E+01 volume
0.41855E+03 ppm1
8.832
ppm2
5.009

ASSI {4841}

((segid “BrD” and resid 68 and name HN))

((segid “BrD” and resid 67 and name HA))

3.400
2.900
2.100 peak
4841
weight
0.11000E+01 volume
0.12732E+03 ppm1
8.627
ppm2
4.671

ASSI {4851}

((segid “BrD” and resid 68 and name HN))

((segid “BrD” and resid 67 and name HB2))

3.300
2.700
2.200 peak
4851
weight
0.11000E+01 volume
0.15213E+03 ppm1
8.626
ppm2
2.662

ASSI {4861}

((segid “BrD” and resid 69 and name HN))

((segid “BrD” and resid 68 and name HA))

2.400
1.400
1.400 peak
4861
weight
0.11000E+01 volume
0.95815E+03 ppm1
8.305
ppm2
5.141

ASSI {4871}

((segid “BrD” and resid 69 and name HN))

((segid “BrD” and resid 68 and name HB1))

4.500
4.$00
1.000 peak
4871
weight
0.11000E+01 volume
0.22391E+03 ppm1
8.306
ppm2
3.669

ASSI {4881}

((segid “BrD” and resid 69 and name HN))

((segid “BrD” and resid 68 and name HB2))

3.300
2.700
2.200 peak
4881
weight
0.11000E+01 volume
0.15981E+03 ppm1
8.306
ppm2
3.514

ASSI {4891}

((segid “BrD” and resid 70 and name HN))

((segid “BrD” and resid 69 and name HA))

3.000
2.200
2.200 peak
4891
weight
0.11000E+01 volume
0.24443E+03 ppm1
8.039
ppm2
4.690

ASSI {4901}

((segid “BrD” and resid 70 and name HN))

((segid “BrD” and resid 69 and name HB))

3.400
2.900
2.100 peak
4901
weight
0.11000E+01 volume
0.12954E+03 ppm1
8.040
ppm2
2.928

ASSI {4911}

((segid “BrD” and resid 70 and name HN))

(segid “BrD” and resid 69 and name HG1 %)

3.800
3.600
1.700 peak
4911
weight
0.11000E+01 volume
0.61869E+02 ppm1
8.041
ppm2
1.551

ASSI {4921}

((segid “BrD” and resid 70 and name HN))

(segid “BrD” and resid 69 and name HG2 %)

2.700
1.800
1.800 peak
4921
weight
0.11000E+01 volume
0.48346E+03 ppm1
8.040
ppm2
1.430

ASSI {4931}

((segid “BrD” and resid 73 and name HN))

((segid “BrD” and resid 72 and name HA))

2.900
2.100
2.100 peak
4931
weight
0.11000E+01 volume
0.30696E+03 ppm1
8.045
ppm2
4.654

ASSI {4941}

((segid “BrD” and resid 74 and name HN))

((segid “BrD” and resid 73 and name HA))

3.500
3.100
2.000 peak
4941
weight
0.11000E+01 volume
0.10430E+03 ppm1
7.536
ppm2
4.812

ASSI {4951}

((segid “BrD” and resid 75 and name HN))

((segid “BrD” and resid 74 and name HA))

3.500
3.100
2.000 peak
4951
weight
0.11000E+01 volume
0.10099E+03 ppm1
9.106
ppm2
4.361

ASSI {4961}

((segid “BrD” and resid 76 and name HN))

((segid “BrD” and resid 75 and name HA))

3.400
2.900
2.100 peak
4961
weight
0.11000E+01 volume
0.11734E+03 ppm1
8.611
ppm2
4.525

ASSI {4971}

((segid “BrD” and resid 76 and name HN))

((segid “BrD” and resid 75 and name HG1))

3.000
2.200
2.200 peak
4971
weight
0.11000E+01 volume
0.28328E+03 ppm1
8.611
ppm2
3.549

ASSI {4981}

((segid “BrD” and resid 76 and name HN))

((segid “BrD” and resid 75 and name HG2))

3.200
2.600
2.300 peak
4981
weight
0.11000E+01 volume
0.18815E+03 ppm1
8.610
ppm2
3.218

ASSI {4991}

((segid “BrD” and resid 76 and name HN))

((segid “BrD” and resid 75 and name HB2))

2.600
1.700
1.700 peak
4991
weight
0.11000E+01 volume
0.61964E+03 ppm1
8.611
ppm2
2.815

ASSI {5001}

((segid “BrD” and resid 76 and name HN))

((segid “BrD” and resid 75 and name HB1))

2.600
1.700
1.700 peak
5001
weight
0.11000E+01 volume
0.59739E+03 ppm1
8.611
ppm2
2.925

ASSI {5011}

((segid “BrD” and resid 77 and name HN))

((segid “BrD” and resid 76 and name HA))

3.000
2.200
2.200 peak
5011
weight
0.11000E+01 volume
0.25554E+03 ppm1
7.996
ppm2
4.695

ASSI {5021}

((segid “BrD” and resid 77 and name HN))

(segid “BrD” and resid 76 and name HB %)

2.500
1.600
1.600 peak
5021
weight
0.11000E+01 volume
0.86259E+03 ppm1
7.996
ppm2
2.092

ASSI {5031}

((segid “BrD” and resid 79 and name HN))

((segid “BrD” and resid 78 and name HA))

3.300
2.700
2.200 peak
5031
weight
0.11000E+01 volume
0.14659E+03 ppm1
8.681
ppm2
3.995

ASSI {5041}

((segid “BrD” and resid 78 and name HN))

((segid “BrD” and resid 79 and name HN))

2.400
1.400
1.400 peak
5041
weight
0.11000E+01 volume
0.10403E+04 ppm1
7.996
ppm2
8.687

ASSI {5061}

((segid “BrD” and resid 80 and name HN))

((segid “BrD” and resid 80 and name HD1))

5.300
5.300
0.200 peak
5061
weight
0.11000E+01 volume
0.85899E+01 ppm1
8.006
ppm2
3.997

ASSI {5071}

((segid “BrD” and resid 80 and name HN))

((segid “BrD” and resid 79 and name HA))

3.300
2.700
2.200 peak
5071
weight
0.11000E+01 volume
0.15955E+03 ppm1
8.006
ppm2
4.404

ASSI {5091}

((segid “BrD” and resid 80 and name HN))

((segid “BrD” and resid 79 and name HB2))

3.200
2.600
2.300 peak
5091
weight
0.11000E+01 volume
0.16421E+03 ppm1
8.006
ppm2
2.704

ASSI {5101}

((segid “BrD” and resid 81 and name HN))

((segid “BrD” and resid 80 and name HA))

3.700
3.400
1.800 peak
5101
weight
0.11000E+01 volume
0.77456E+02 ppm1
7.639
ppm2
4.685

ASSI {5111}

((segid “BrD” and resid 82 and name HN))

((segid “BrD” and resid 81 and name HB))

2.500
1.600
1.600 peak
5111
weight
0.11000E+01 volume
0.81882E+03 ppm1
6.981
ppm2
2.042

ASSI {5121}

((segid “BrD” and resid 82 and name HN))

(segid “BrD” and resid 81 and name HG1 %)

3.200
2.600
2.300 peak
5121
weight
0.11000E+01 volume
0.17066E+03 ppm1
6.981
ppm2
1.086

ASSI {5131}

((segid “BrD” and resid 82 and name HN))

(segid “BrD” and resid 81 and name HG2 %)

3.400
2.900
2.100 peak
5131
weight
0.11000E+01 volume
0.12101E+03 ppm1
6.981
ppm2
0.749

ASSI {5141}

((segid “BrD” and resid 83 and name HN))

((segid “BrD” and resid 82 and name HA))

3.400
2.900
2.100 peak
5141
weight
0.11000E+01 volume
0.11364E+03 ppm1
9.658
ppm2
4.743

ASSI {5151}

((segid “BrD” and resid 83 and name HN))

((segid “BrD” and resid 82 and name HB1))

3.500
3.100
2.000 peak
5151
weight
0.11000E+01 volume
0.10752E+03 ppm1
9.660
ppm2
3.697

ASSI {5161}

((segid “BrD” and resid 83 and name HN))

((segid “BrD” and resid 82 and name HB2))

2.800
2.000
2.000 peak
5161
weight
0.11000E+01 volume
0.41394E+03 ppm1
9.658
ppm2
3.551

ASSI {5171}

((segid “BrD” and resid 84 and name HN))

((segid “BrD” and resid 83 and name HB))

3.200
2.600
2.300 peak
5171
weight
0.11000E+01 volume
0.19086E+03 ppm1
9.466
ppm2
4.817

ASSI {5181}

((segid “BrD” and resid 84 and name HN))

((segid “BrD” and resid 83 and name HA))

3.600
3.200
1.900 peak
5181
weight
0.11000E+01 volume
0.83498E+02 ppm1
9.463
ppm2
4.449

ASSI {5191}

((segid “BrD” and resid 84 and name HN))

(segid “BrD” and resid 83 and name HG2 %)

3.500
3.100
2.000 peak
5191
weight
0.11000E+01 volume
0.11050E+03 ppm1
9.463
ppm2
1.903

ASSI {5201}

((segid “BrD” and resid 85 and name HN))

((segid “BrD” and resid 84 and name HA))

3.700
3.400
1.800 peak
5201
weight
0.11000E+01 volume
0.79848E+02 ppm1
7.515
ppm2
4.921

ASSI {5211}

((segid “BrD” and resid 85 and name HN))

((segid “BrD” and resid 84 and name HB2))

3.400
2.900
2.100 peak
5211
weight
0.11000E+01 volume
0.12439E+03 ppm1
7.516
ppm2
3.268

ASSI {5221}

((segid “BrD” and resid 86 and name HN))

((segid “BrD” and resid 85 and name HA))

3.900
3.800
1.600 peak
5221
weight
0.11000E+01 volume
0.50221E+02 ppm1
8.423
ppm2
5.012

ASSI {5231}

((segid “BrD” and resid 86 and name HN))

((segid “BrD” and resid 85 and name HB2))

3.300
2.700
2.200 peak
5231
weight
0.11000E+01 volume
0.14503E+03 ppm1
8.423
ppm2
3.639

ASSI {5241}

((segid “BrD” and resid 87 and name HN))

((segid “BrD” and resid 86 and name HA))

3.600
3.200
1.900 peak
5241
weight
0.11000E+01 volume
0.84494E+02 ppm1
8.572
ppm2
4.815

ASSI {5251}

((segid “BrD” and resid 88 and name HN))

((segid “BrD” and resid 87 and name HA))

3.600
3.200
1.900 peak
5251
weight
0.11000E+01 volume
0.87457E+02 ppm1
8.357
ppm2
4.857

ASSI {5261}

((segid “BrD” and resid 88 and name HN))

((segid “BrD” and resid 87 and name HB1))

3.100
2.400
2.400 peak
5261
weight
0.11000E+01 volume
0.23454E+03 ppm1
8.354
ppm2
2.782

ASSI {5271}

((segid “BrD” and resid 88 and name HN))

((segid “BrD” and resid 87 and name HB2))

3.200
2.600
2.300 peak
5271
weight
0.11000E+01 volume
0.19424E+03 ppm1
8.354
ppm2
2.614

ASSI {5281}

((segid “BrD” and resid 88 and name HN))

((segid “BrD” and resid 87 and name HN))

2.400
1.700
1.700 peak
5281
weight
0.11000E+01 volume
0.67695E+03 ppm1
8.355
ppm2
8.552

ASSI {5301}

((segid “BrD” and resid 89 and name HN))

((segid “BrD” and resid 88 and name HA))

3.400
2.900
2.100 peak
5301
weight
0.11000E+01 volume
0.12542E+03 ppm1
8.858
ppm2
4.976

ASSI {5311}

((segid “BrD” and resid 89 and name HD21))

((segid “BrD” and resid 89 and name HB2))

3.900
3.800
1.600 peak
5311
weight
0.11000E+01 volume
0.54504E+02 ppm1
8.923
ppm2
3.516

ASSI {5321}

((segid “BrD” and resid 89 and name HD22))

((segid “BrD” and resid 89 and name HB2))

3.300
2.700
2.200 peak
5321
weight
0.11000E+01 volume
0.13631E+03 ppm1
8.416
ppm2
3.514

ASSI {5331}

((segid “BrD” and resid 89 and name HD21))

((segid “BrD” and resid 89 and name HB1))

5.100
5.100
0.400 peak
5331
weight
0.11000E+01 volume
0.10399E+02 ppm1
8.923
ppm2
3.679

ASSI {5341}

((segid “BrD” and resid 89 and name HD22))

((segid “BrD” and resid 89 and name HB1))

3.900
3.800
1.600 peak
5341
weight
0.11000E+01 volume
0.50137E+02 ppm1
8.416
ppm2
3.676

ASSI {5351}

((segid “BrD” and resid 92 and name HN))

((segid “BrD” and resid 92 and name HG1))

2.700
1.800
1.800 peak
5351
weight
0.11000E+01 volume
0.53011E+03 ppm1
8.876
ppm2
2.818

ASSI {5361}

((segid “BrD” and resid 92 and name HN))

((segid “BrD” and resid 92 and name HB1))

3.600
3.200
1.900 peak
5361
weight
0.11000E+01 volume
0.93326E+02 ppm1
8.875
ppm2
2.697

ASSI {5371}

((segid “BrD” and resid 92 and name HN))

((segid “BrD” and resid 92 and name HB2))

2.500
1.600
1.600 peak
5371
weight
0.11000E+01 volume
0.87608E+03 ppm1
8.875
ppm2
2.576

ASSI {5381}

((segid “BrD” and resid 93 and name HN))

((segid “BrD” and resid 92 and name HG1))

3.500
3.100
2.000 peak
5381
weight
0.11000E+01 volume
0.10524E+03 ppm1
8.714
ppm2
2.807

ASSI {5391}

((segid “BrD” and resid 93 and name HN))

((segid “BrD” and resid 92 and name HB1))

3.200
2.600
2.300 peak
5391
weight
0.11000E+01 volume
0.16925E+03 ppm1
8.714
ppm2
2.702

ASSI {5401}

((segid “BrD” and resid 93 and name HN))

((segid “BrD” and resid 92 and name HB2))

3.300
2.700
2.200 peak
5401
weight
0.11000E+01 volume
0.13613E+03 ppm1
8.714
ppm2
2.580

ASSI {5411}

((segid “BrD” and resid 94 and name HN))

((segid “BrD” and resid 94 and name HB1))

2.700
1.800
1.800 peak
5411
weight
0.11000E+01 volume
0.51785E+03 ppm1
9.677
ppm2
2.777

ASSI {5421}

((segid “BrD” and resid 94 and name HN))

((segid “BrD” and resid 94 and name HG1))

3.600
3.200
1.900 peak
5421
weight
0.11000E+01 volume
0.85031E+02 ppm1
9.679
ppm2
3.144

ASSI {5431}

((segid “BrD” and resid 94 and name HN))

((segid “BrD” and resid 93 and name HA))

3.300
2.700
2.200 peak
5431
weight
0.11000E+01 volume
0.15989E+03 ppm1
9.678
ppm2
5.042

ASSI {5441}

((segid “BrD” and resid 94 and name HN))

((segid “BrD” and resid 93 and name HB2))

3.000
2.200
2.200 peak
5441
weight
0.11000E+01 volume
0.25357E+03 ppm1
9.680
ppm2
4.764

ASSI {5451}

((segid “BrD” and resid 95 and name HN))

((segid “BrD” and resid 94 and name HA))

3.600
3.200
1.900 peak
5451
weight
0.11000E+01 volume
0.81131E+02 ppm1
8.669
ppm2
4.839

ASSI {5461}

((segid “BrD” and resid 95 and name HN))

((segid “BrD” and resid 94 and name HG1))

3.400
2.900
2.100 peak
5461
weight
0.11000E+01 volume
0.12127E+03 ppm1
8.669
ppm2
3.135

ASSI {5471}

((segid “BrD” and resid 95 and name HN))

((segid “BrD” and resid 94 and name HB1))

2.800
2.000
2.000 peak
5471
weight
0.11000E+01 volume
0.41579E+03 ppm1
8.670
ppm2
2.776

ASSI {5481}

((segid “BrD” and resid 96 and name HN))

((segid “BrD” and resid 95 and name HN))

2.400
1.400
1.400 peak
5481
weight
0.11000E+01 volume
0.91814E+03 ppm1
7.979
ppm2
8.679

ASSI {5501}

((segid “BrD” and resid 97 and name HN))

((segid “BrD” and resid 96 and name HA))

3.300
2.700
2.200 peak
5501
weight
0.11000E+01 volume
0.15786E+03 ppm1
8.677
ppm2
4.426

ASSI {5511}

((segid “BrD” and resid 97 and name HN))

((segid “BrD” and resid 96 and name HB1))

3.200
2.600
2.300 peak
5511
weight
0.11000E+01 volume
0.17339E+03 ppm1
8.674
ppm2
3.997

ASSI {5521}

((segid “BrD” and resid 97 and name HN))

((segid “BrD” and resid 96 and name HB2))

3.000
2.200
2.200 peak
5521
weight
0.11000E+01 volume
0.24048E+03 ppm1
8.674
ppm2
3.107

ASSI {5531}

((segid “BrD” and resid 99 and name HN))

((segid “BrD” and resid 98 and name HA))

3.200
2.600
2.300 peak
5531
weight
0.11000E+01 volume
0.16985E+03 ppm1
8.936
ppm2
4.813

ASSI {5541}

((segid “BrD” and resid 99 and name HN))

((segid “BrD” and resid 98 and name HB1))

3.200
2.600
2.300 peak
5541
weight
0.11000E+01 volume
0.16699E+03 ppm1
8.936
ppm2
4.003

ASSI {5551}

((segid “BrD” and resid 99 and name HN))

((segid “BrD” and resid 98 and name HB2))

2.900
2.100
2.100 peak
5551
weight
0.11000E+01 volume
0.29941E+03 ppm1
8.936
ppm2
3.663

ASSI {5561}

((segid “BrD” and resid 100 and name HN))

((segid “BrD” and resid 99 and name HA))

3.300
2.700
2.200 peak
5561
weight
0.11000E+01 volume
0.14856E+03 ppm1
8.669
ppm2
4.438

ASSI {5571}

((segid “BrD” and resid 100 and name HN))

(segid “BrD” and resid 99 and name HB %)

2.600
1.700
1.700 peak
5571
weight
0.11000E+01 volume
0.56660E+03 ppm1
8.669
ppm2
2.204

ASSI {5581}

((segid “BrD” and resid 101 and name HN))

((segid “BrD” and resid 100 and name HA))

3.500
3.100
2.000 peak
5581
weight
0.11000E+01 volume
0.99135E+02 ppm1
8.513
ppm2
4.940

ASSI {5591}

((segid “BrD” and resid 101 and name HN))

((segid “BrD” and resid 100 and name HB1))

3.200
2.600
2.300 peak
5591
weight
0.11000E+01 volume
0.18321E+03 ppm1
8.513
ppm2
3.484

ASSI {5601}

((segid “BrD” and resid 102 and name HN))

((segid “BrD” and resid 101 and name HA))

3.500
3.100
2.000 peak
5601
weight
0.11000E+01 volume
0.10380E+03 ppm1
9.156
ppm2
4.256

ASSI {5611}

((segid “BrD” and resid 103 and name HN))

((segid “BrD” and resid 102 and name HA))

3.500
3.100
2.000 peak
5611
weight
0.11000E+01 volume
0.10037E+03 ppm1
8.696
ppm2
4.277

ASSI {5621}

((segid “BrD” and resid 104 and name HN))

((segid “BrD” and resid 103 and name HA))

3.200
2.600
2.300 peak
5621
weight
0.11000E+01 volume
0.16539E+03 ppm1
7.763
ppm2
3.792

ASSI {5631}

((segid “BrD” and resid 104 and name HN))

((segid “BrD” and resid 103 and name HB1))

2.800
2.000
2.000 peak
5631
weight
0.11000E+01 volume
0.39404E+03 ppm1
7.762
ppm2
2.327

ASSI {5641}

((segid “BrD” and resid 104 and name HN))

((segid “BrD” and resid 103 and name HB2))

3.200
2.600
2.300 peak
5641
weight
0.11000E+01 volume
0.16250E+03 ppm1
7.763
ppm2
1.917

ASSI {5651}

((segid “BrD” and resid 105 and name HN))

((segid “BrD” and resid 104 and name HA))

3.200
2.600
2.300 peak
5651
weight
0.11000E+01 volume
0.16160E+03 ppm1
8.488
ppm2
4.688

ASSI {5661}

((segid “BrD” and resid 106 and name HN))

((segid “BrD” and resid 105 and name HA))

3.600
3.200
1.900 peak
5661
weight
0.11000E+01 volume
0.94653E+02 ppm1
9.740
ppm2
4.934

ASSI {5671}

((segid “BrD” and resid 107 and name HN))

((segid “BrD” and resid 106 and name HA))

3.500
3.100
2.000 peak
5671
weight
0.11000E+01 volume
0.10620E+03 ppm1
8.981
ppm2
4.568

ASSI {5681}

((segid “BrD” and resid 107 and name HN))

((segid “BrD” and resid 106 and name HB1))

3.000
2.200
2.200 peak
5681
weight
0.11000E+01 volume
0.25814E+03 ppm1
8.980
ppm2
3.896

ASSI {5691}

((segid “BrD” and resid 108 and name HN))

((segid “BrD” and resid 107 and name HA))

3.200
2.600
2.300 peak
5691
weight
0.11000E+01 volume
0.17635E+03 ppm1
8.526
ppm2
4.447

ASSI {5701}

((segid “BrD” and resid 108 and name HN))

((segid “BrD” and resid 107 and name HB1))

2.600
1.700
1.700 peak
5701
weight
0.11000E+01 volume
0.68256E+03 ppm1
8.526
ppm2
3.671

ASSI {5711}

((segid “BrD” and resid 109 and name HN))

((segid “BrD” and resid 108 and name HA))

3.700
3.400
1.800 peak
5711
weight
0.11000E+01 volume
0.77637E+02 ppm1
8.574
ppm2
4.818

ASSI {5721}

((segid “BrD” and resid 110 and name HN))

((segid “BrD” and resid 109 and name HA))

3.700
3.400
1.800 peak
5721
weight
0.11000E+01 volume
0.78233E+02 ppm1
8.714
ppm2
4.615

ASSI {5731}

((segid “BrD” and resid 111 and name HN))

((segid “BrD” and resid 110 and name HA))

3.000
2.200
2.200 peak
5731
weight
0.11000E+01 volume
0.28368E+03 ppm1
8.168
ppm2
4.428

ASSI {5741}

((segid “BrD” and resid 111 and name HN))

((segid “BrD” and resid 110 and name HB))

2.300
1.300
1.300 peak
5741
weight
0.11000E+01 volume
0.13983E+04 ppm1
8.170
ppm2
2.353

ASSI {5751}

((segid “BrD” and resid 111 and name HN))

((segid “BrD” and resid 112 and name HN))

2.800
2.000
2.000 peak
5751
weight
0.11000E+01 volume
0.38572E+03 ppm1
8.168
ppm2
8.665

ASSI {5761}

((segid “BrD” and resid 113 and name HN))

((segid “BrD” and resid 112 and name HA))

2.700
1.800
1.800 peak
5761
weight
0.11000E+01 volume
0.46496E+03 ppm1
8.217
ppm2
4.602

ASSI {5771}

((segid “BrD” and resid 113 and name HN))

((segid “BrD” and resid 112 and name HG1))

3.800
3.600
1.700 peak
5771
weight
0.11000E+01 volume
0.63604E+02 ppm1
8.216
ppm2
2.949

ASSI {5781}

((segid “BrD” and resid 113 and name HN))

((segid “BrD” and resid 112 and name HG2))

4.100
4.100
1.400 peak
5781
weight
0.11000E+01 volume
0.37977E+02 ppm1
8.217
ppm2
2.812

ASSI {5791}

((segid “BrD” and resid 113 and name HN))

((segid “BrD” and resid 112 and name HB1))

2.500
1.600
1.600 peak
5791
weight
0.11000E+01 volume
0.72974E+03 ppm1
8.217
ppm2
2.665

ASSI {5801}

((segid “BrD” and resid 112 and name HN))

((segid “BrD” and resid 113 and name HN))

2.500
1.600
1.600 peak
5801
weight
0.11000E+01 volume
0.81801E+03 ppm1
8.668
ppm2
8.185

ASSI {5811}

((segid “BrD” and resid 114 and name HN))

((segid “BrD” and resid 113 and name HA))

3.400
2.900
2.100 peak
5811
weight
0.11000E+01 volume
0.12247E+03 ppm1
8.376
ppm2
4.898

ASSI {5821}

((segid “BrD” and resid 114 and name HN))

(segid “BrD” and resid 113 and name HB %)

3.000
2.200
2.200 peak
5821
weight
0.11000E+01 volume
0.28680E+03 ppm1
8.377
ppm2
1.965

ASSI {5831}

((segid “BrD” and resid 115 and name HN))

((segid “BrD” and resid 114 and name HA1))

3.500
3.100
2.000 peak
5831
weight
0.11000E+01 volume
0.95188E+02 ppm1
8.355
ppm2
4.626

ASSI {5851}

((segid “BrD” and resid 115 and name HN))

((segid “BrD” and resid 116 and name HN))

3.700
3.400
1.800 peak
5851
weight
0.11000E+01 volume
0.76519E+02 ppm1
8.355
ppm2
8.065

ASSI {5861}

((segid “BrD” and resid 117 and name HN))

((segid “BrD” and resid 116 and name HA))

2.600
1.700
1.700 peak
5861
weight
0.11000E+01 volume
0.60302E+03 ppm1
8.884
ppm2
4.839

ASSI {5871}

((segid “BrD” and resid 117 and name HN))

((segid “BrD” and resid 116 and name HB))

3.100
2.400
2.400 peak
5871
weight
0.11000E+01 volume
0.21223E+03 ppm1
8.876
ppm2
2.417

ASSI {5881}

((segid “BrD” and resid 118 and name HN))

((segid “BrD” and resid 117 and name HA))

2.500
1.600
1.600 peak
5881
weight
0.11000E+01 volume
0.81728E+03 ppm1
8.381
ppm2
5.178

ASSI {5891}

((segid “BrD” and resid 79 and name HE21))

((segid “BrD” and resid 79 and name HG1))

3.900
3.800
1.600 peak
5891
weight
0.11000E+01 volume
0.58235E+02 ppm1
7.926
ppm2
3.067

ASSI {5901}

((segid “BrD” and resid 79 and name HE22))

((segid “BrD” and resid 79 and name HG1))

3.500
3.100
2.000 peak
5901
weight
0.11000E+01 volume
0.10842E+03 ppm1
7.829
ppm2
3.067

ASSI {5911}

((segid “BrD” and resid 29 and name HE21))

((segid “BrD” and resid 29 and name HG1))

4.200
4.200
1.300 peak
5911
weight
0.11000E+01 volume
0.35552E+02 ppm1
8.188
ppm2
3.028

ASSI {5921}

((segid “BrD” and resid 29 and name HE22))

((segid “BrD” and resid 29 and name HG1))

3.800
3.600
1.700 peak
5921
weight
0.11000E+01 volume
0.59289E+02 ppm1
7.477
ppm2
3.028

ASSI {5931}

((segid “BrD” and resid 70 and name HN))

((segid “BrD” and resid 70 and name HB1))

3.300
2.700
2.200 peak
5931
weight
0.11000E+01 volume
0.15569E+03 ppm1
8.039
ppm2
4.807

ASSI {5941}

((segid “BrD” and resid 18 and name HN))

((segid “BrD” and resid 18 and name HB1))

2.700
1.800
1.800 peak
5941
weight
0.11000E+01 volume
0.45519E+03 ppm1
9.072
ppm2
2.113

ASSI {5951}

((segid “BrD” and resid 18 and name HN))

((segid “BrD” and resid 18 and name HG))

2.600
1.700
1.700 peak
5951
weight
0.11000E+01 volume
0.60681E+03 ppm1
9.072
ppm2
2.279

ASSI {5961}

((segid “BrD” and resid 18 and name HN))

(segid “BrD” and resid 18 and name HD2 %)

3.000
2.200
2.200 peak
5961
weight
0.11000E+01 volume
0.24628E+03 ppm1
9.076
ppm2
0.416

ASSI {5971}

((segid “BrD” and resid 78 and name HN))

((segid “BrD” and resid 78 and name HB1))

3.000
2.200
2.200 peak
5971
weight
0.11000E+01 volume
0.24153E+03 ppm1
7.996
ppm2
1.360

ASSI {5981}

((segid “BrD” and resid 78 and name HN))

((segid “BrD” and resid 78 and name HB2))

2.600
1.700
1.700 peak
5981
weight
0.11000E+01 volume
0.64225E+03 ppm1
7.996
ppm2
1.048

ASSI {5991}

((segid “BrD” and resid 78 and name HN))

(segid “BrD” and resid 78 and name HD2 %)

3.500
3.100
2.000 peak
5991
weight
0.11000E+01 volume
0.10124E+03 ppm1
7.994
ppm2
0.667

ASSI {6001}

((segid “BrD” and resid 78 and name HN))

((segid “BrD” and resid 78 and name HG))

3.000
2.200
2.200 peak
6001
weight
0.11000E+01 volume
0.26923E+03 ppm1
7.996
ppm2
1.293

ASSI {6011}

((segid “BrD” and resid 78 and name HN))

(segid “BrD” and resid 78 and name HD1 %)

3.500
3.100
2.000 peak
6011
weight
0.11000E+01 volume
0.10789E+03 ppm1
7.996
ppm2
0.790

ASSI {6021}

((segid “BrD” and resid 115 and name HN))

((segid “BrD” and resid 115 and name HB1))

3.200
2.600
2.300 peak
6021
weight
0.11000E+01 volume
0.18336E+03 ppm1
8.355
ppm2
2.167

ASSI {6031}

((segid “BrD” and resid 115 and name HN))

(segid “BrD” and resid 115 and name HD1 %)

2.800
2.000
2.200 peak
6031
weight
0.11000E+01 volume
0.43402E+03 ppm1
4.354
ppm2
1.318

ASSI {6041}

((segid “BrD” and resid 116 and name HN))

((segid “BrD” and resid 116 and name HG11))

2.900
2.100
2.100 peak
6041
weight
0.11000E+01 volume
0.29943E+03 ppm1
8.086
ppm2
1.921

ASSI {6051}

((segid “BrD” and resid 116 and name HN))

((segid “BrD” and resid 116 and name HG12))

3.000
2.200
2.200 peak
6051
weight
0.11000E+01 volume
0.27021E+03 ppm1
8.083
ppm2
1.525

ASSI {6061}

((segid “BrD” and resid 116 and name HN))

(segid “BrD” and resid 116 and name HG2 %)

2.500
1.600
1.600 peak
6061
weight
0.11000E+01 volume
0.86711E+03 ppm1
8.084
ppm2
1.420

ASSI {6071}

((segid “BrD” and resid 110 and name HN))

((segid “BrD” and resid 110 and name HG12))

3.000
2.200
2.200 peak
6071
weight
0.11000E+01 volume
0.25527E+03 ppm1
8.714
ppm2
1.679

ASSI {6081}

((segid “BrD” and resid 110 and name HN))

(segid “BrD” and resid 110 and name HG2 %)

2.800
2.000
2.000 peak
6081
weight
0.11000E+01 volume
0.43268E+03 ppm1
8.714
ppm2
1.261

ASSI {6091}

((segid “BrD” and resid 110 and name HN))

(segid “BrD” and resid 110 and name HD1 %))

3.400
2.900
2.100 peak
6091
weight
0.11000E+01 volume
0.13013E+03 ppm1
8.714
ppm2
1.116

ASSI {6101}

((segid “BrD” and resid 50 and name HN))

((segid “BrD” and resid 50 and name HB))

2.400
1.400
1.400 peak
6101
weight
0.11000E+01 volume
0.10564E+04 ppm1
8.564
ppm2
1.812

ASSI {6111}

((segid “BrD” and resid 50 and name HN))

(segid “BrD” and resid 50 and name HD1 %)

3.200
2.600
2.300 peak
6111
weight
0.11000E+01 volume
0.17790E+03 ppm1
8.564
ppm2
1.144

ASSI {6121}

((segid “BrD” and resid 50 and name HN))

((segid “BrD” and resid 50 and name HG12))

3.300
2.700
2.200 peak
6121
weight
0.11000E+01 volume
0.13759E+03 ppm1
8.564
ppm2
0.823

ASSI {6131}

((segid “BrD” and resid 50 and name HN))

(segid “BrD” and resid 50 and name HG2 %)

3.000
2.200
2.200 peak
6131
weight
0.11000E+01 volume
0.27674E+03 ppm1
8.564
ppm2
0.991

ASSI {6141}

((segid “BrD” and resid 50 and name HN))

((segid “BrD” and resid 50 and name HG11))

4.100
4.100
1.400 peak
6141
weight
0.11000E+01 volume
0.38065E+02 ppm1
8.564
ppm2
1.405

ASSI {6151}

((segid “BrD” and resid 21 and name HN))

((segid “BrD” and resid 20 and name HB1))

2.600
1.700
1.700 peak
6151
weight
0.11000E+01 volume
0.62145E+03 ppm1
8.544
ppm2
4.667

ASSI {6161}

((segid “BrD” and resid 20 and name HN))

((segid “BrD” and resid 21 and name HN))

2.800
2.000
2.000 peak
6161
weight
0.11000E+01 volume
0.39694E+03 ppm1
8.146
ppm2
8.547

ASSI {6191}

((segid “BrD” and resid 22 and name HN))

((segid “BrD” and resid 21 and name HN))

2.800
2.000
2.000 peak
6191
weight
0.11000E+01 volume
0.40962E+03 ppm1
9.455
ppm2
8.532

ASSI {6201}

((segid “BrD” and resid 101 and name HN))

((segid “BrD” and resid 101 and name HG11))

2.400
1.400
1.400 peak
6201
weight
0.11000E+01 volume
0.10700E+04 ppm1
8.514
ppm2
2.489

ASSI {6211}

((segid “BrD” and resid 101 and name HN))

((segid “BrD” and resid 101 and name HG12))

2.800
2.000
2.000 peak
6211
weight
0.11000E+01 volume
0.39771E+03 ppm1
8.513
ppm2
1.808

ASSI {6221}

((segid “BrD” and resid 101 and name HN))

(segid “BrD” and resid 101 and name HG2 %))

2.700
1.800
1.800 peak
6221
weight
0.11000E+01 volume
0.49123E+03 ppm1
8.513
ppm2
1.596

ASSI {6231}

((segid “BrD” and resid 21 and name HN))

((segid “BrD” and resid 21 and name HB))

2.600
1.700
1.700 peak
6231
weight
0.11000E+01 volume
0.63964E+03 ppm1
8.545
ppm2
2.495

ASSI {6241}

((segid “BrD” and resid 21 and name HN))

((segid “BrD” and resid 21 and name HG11))

2.300
1.300
1.300 peak
6241
weight
0.11000E+01 volume
0.13646E+04 ppm1
8.545
ppm2
2.355

ASSI {6251}

((segid “BrD” and resid 21 and name HN))

((segid “BrD” and resid 21 and name HG12))

3.100
2.400
2.400 peak
6251
weight
0.11000E+01 volume
0.22794E+03 ppm1
8.556
ppm2
1.659

ASSI {6261}

((segid “BrD” and resid 21 and name HN))

((segid “BrD” and resid 21 and name HG2 %))

2.600
1.700
1.700 peak
6261
weight
0.11000E+01 volume
0.60538E+03 ppm1
8.556
ppm2
1.605

ASSI {6271}

((segid “BrD” and resid 21 and name HN))

(segid “BrD” and resid 21 and name HD1 %)

2.800
2.100
2.100 peak
6271
weight
0.11000E+01 volume
0.30098E+03 ppm1
8.545
ppm2
1.226

ASSI {6281}

((segid “BrD” and resid 87 and name HN))

((segid “BrD” and resid 87 and name HB1))

2.800
2.000
2.000 peak
6281
weight
0.11000E+01 volume
0.39163E+03 ppm1
8.570
ppm2
2.771

ASSI {6291}

((segid “BrD” and resid 79 and name HN))

((segid “BrD” and resid 79 and name HB1))

2.500
1.600
1.600 peak
6291
weight
0.11000E+01 volume
0.73947E+03 ppm1
8.681
ppm2
2.771

ASSI {6301}

((segid “BrD” and resid 80 and name HN))

((segid “BrD” and resid 79 and name HB1))

3.500
3.100
2.000 peak
6301
weight
0.11000E+01 volume
0.10437E+03 ppm1
8.006
ppm2
2.764

ASSI {6311}

((segid “BrD” and resid 23 and name HN))

((segid “BrD” and resid 23 and name HG2))

3.200
2.600
2.300 peak
6311
weight
0.11000E+01 volume
0.19029E+03 ppm1
9.120
ppm2
3.068

ASSI {6321}

((segid “BrD” and resid 80 and name HN))

((segid “BrD” and resid 80 and name HG1))

3.400
2.900
2.100 peak
6321
weight
0.11000E+01 volume
0.12866E+03 ppm1
8.006
ppm2
2.336

ASSI {6331}

((segid “BrD” and resid 80 and name HN))

((segid “BrD” and resid 80 and name HB1))

2.800
2.000
2.000 peak
6331
weight
0.11000E+01 volume
0.38416E+03 ppm1
8.006
ppm2
2.579

ASSI {6341}

((segid “BrD” and resid 80 and name HN))

((segid “BrD” and resid 80 and name HB2))

2.600
1.700
1.700 peak
6341
weight
0.11000E+01 volume
0.55298E+03 ppm1
8.006
ppm2
2.497

ASSI {6351}

((segid “BrD” and resid 66 and name HN))

((segid “BrD” and resid 66 and name HB2))

3.400
2.900
2.100 peak
6351
weight
0.11000E+01 volume
0.12971E+03 ppm1
8.763
ppm2
2.629

ASSI {6361}

((segid “BrD” and resid 66 and name HN))

((segid “BrD” and resid 66 and name HG1))

2.700
1.800
1.800 peak
6361
weight
0.11000E+01 volume
0.45372E+03 ppm1
8.764
ppm2
2.155

ASSI {6371}

((segid “BrD” and resid 9 and name HN))

((segid “BrD” and resid 9 and name HG1))

3.600
3.200
1.900 peak
6371
weight
0.11000E+01 volume
0.84495E+02 ppm1
9.053
ppm2
2.254

ASSI {6381}

((segid “BrD” and resid 9 and name HN))

((segid “BrD” and resid 9 and name HB2))

3.400
2.900
2.100 peak
6381
weight
0.11000E+01 volume
0.12497E+03 ppm1
9.055
ppm2
2.369

ASSI {6391}

((segid “BrD” and resid 102 and name HN))

(segid “BrD” and resid 102 and name HD1 %)

3.100
2.400
2.400 peak
6391
weight
0.11000E+01 volume
0.19704E+03 ppm1
9.156
ppm2
1.310

ASSI {6401}

((segid “BrD” and resid 102 and name HN))

((segid “BrD” and resid 102 and name HB2))

2.400
1.400
1.400 peak
6401
weight
0.11000E+01 volume
0.88089E+03 ppm1
9.155
ppm2
1.808

ASSI {6411}

((segid “BrD” and resid 102 and name HN))

((segid “BrD” and resid 102 and name HB1))

2.700
1.800
1.800 peak
6411
weight
0.11000E+01 volume
0.47200E+03 ppm1
9.155
ppm2
2.002

ASSI {6421}

((segid “BrD” and resid 102 and name HN))

((segid “BrD” and resid 102 and name HG))

3.200
2.600
2.300 peak
6421
weight
0.11000E+01 volume
0.16630E+03 ppm1
9.157
ppm2
2.152

ASSI {6431}

((segid “BrD” and resid 73 and name HN))

((segid “BrD” and resid 73 and name HB2))

2.800
2.000
2.000 peak
6431
weight
0.11000E+01 volume
0.37491E+03 ppm1
8.045
ppm2
2.495

ASSI {6441}

((segid “BrD” and resid 73 and name HN))

((segid “BrD” and resid 73 and name HG))

3.400
2.900
2.100 peak
6441
weight
0.11000E+01 volume
0.13407E+03 ppm1
8.045
ppm2
2.376

ASSI {6451}

((segid “BrD” and resid 73 and name HN))

(segid “BrD” and resid 73 and name HD2 %)

3.600
3.200
1.900 peak
6451
weight
0.11000E+01 volume
0.91167E+02 ppm1
8.049
ppm2
1.491

ASSI {6461}

((segid “BrD” and resid 56 and name HN))

(segid “BrD” and resid 56 and name HD1 %)

3.200
2.600
2.300 peak
6461
weight
0.11000E+01 volume
0.17282E+03 ppm1
9.679
ppm2
1.521

ASSI {6471}

((segid “BrD” and resid 56 and name HN))

((segid “BrD” and resid 56 and name HG))

2.500
1.600
1.600 peak
6471
weight
0.11000E+01 volume
0.74688E+03 ppm1
9.680
ppm2
2.320

ASSI {6481}

((segid “BrD” and resid 56 and name HN))

((segid “BrD” and resid 56 and name HB2))

3.100
2.400
2.400 peak
6481
weight
0.11000E+01 volume
0.21719E+03 ppm1
9.680
ppm2
2.002

ASSI {6491}

((segid “BrD” and resid 22 and name HN))

(segid “BrD” and resid 22 and name HD1 %)

3.200
2.600
2.300 peak
6491
weight
0.11000E+01 volume
0.16857E+03 ppm1
9.456
ppm2
1.668

ASSI {6501}

((segid “BrD” and resid 22 and name HN))

((segid “BrD” and resid 22 and name HB2))

2.400
1.400
1.400 peak
6501
weight
0.11000E+01 volume
0.10653E+04 ppm1
9.455
ppm2
2.292

ASSI {6511}

((segid “BrD” and resid 22 and name HN))

((segid “BrD” and resid 22 and name HB1))

2.700
1.800
1.800 peak
6511
weight
0.11000E+01 volume
0.47530E+03 ppm1
9.455
ppm2
2.693

ASSI {6521}

((segid “BrD” and resid 22 and name HN))

((segid “BrD” and resid 22 and name HG))

3.700
3.400
1.800 peak
6521
weight
0.11000E+01 volume
0.69056E+02 ppm1
9.455
ppm2
2.366

ASSI {6531}

((segid “BrD” and resid 63 and name HN))

(segid “BrD” and resid 63 and name HG2 %)

3.200
2.600
2.300 peak
6531
weight
0.11000E+01 volume
0.19269E+03 ppm1
9.473
ppm2
1.478

ASSI {6541}

((segid “BrD” and resid 63 and name HN))

(segid “BrD” and resid 63 and name HD1 %)

3.100
2.400
2.400 peak
6541
weight
0.11000E+01 volume
0.21627E+03 ppm1
9.472
ppm2
1.674

ASSI {6561}

((segid “BrD” and resid 63 and name HN))

((segid “BrD” and resid 63 and name HB2))

2.500
1.600
1.600 peak
6561
weight
0.11000E+01 volume
0.86099E+03 ppm1
9.473
ppm2
2.532

ASSI {6571}

((segid “BrD” and resid 63 and name HN))

((segid “BrD” and resid 63 and name HG))

3.000
2.200
2.200 peak
6571
weight
0.11000E+01 volume
0.26899E+03 ppm1
9.472
ppm2
2.439

ASSI {6581}

((segid “BrD” and resid 14 and name HN))

((segid “BrD” and resid 14 and name HB1))

2.500
1.600
1.600 peak
6581
weight
0.11000E+01 volume
0.80229E+03 ppm1
8.809
ppm2
2.453

ASSI {6591}

((segid “BrD” and resid 14 and name HN))

((segid “BrD” and resid 14 and name HG))

3.000
2.200
2.200 peak
6591
weight
0.11000E+01 volume
0.24747E+03 ppm1
8.809
ppm2
2.064

ASSI {6601}

((segid “BrD” and resid 14 and name HN))

((segid “BrD” and resid 14 and name HB2))

2.500
1.600
1.600 peak
6601
weight
0.11000E+01 volume
0.85081E+03 ppm1
8.809
ppm2
2.164

ASSI {6611}

((segid “BrD” and resid 14 and name HN))

(segid “BrD” and resid 14 and name HD1 %)

3.200
2.600
2.300 peak
6611
weight
0.11000E+01 volume
0.18673E+03 ppm1
8.809
ppm2
1.401

ASSI {6621}

((segid “BrD” and resid 24 and name HN))

((segid “BrD” and resid 24 and name HG2))

2.300
1.300
1.300 peak
6621
weight
0.11000E+01 volume
0.12087E+04 ppm1
8.654
ppm2
3.032

ASSI {6631}

((segid “BrD” and resid 49 and name HN))

(segid “BrD” and resid 49 and name HG1 %)

3.100
2.400
2.400 peak
6631
weight
0.11000E+01 volume
0.20533E+03 ppm1
7.762
ppm2
1.652

ASSI {6641}

((segid “BrD” and resid 50 and name HN))

(segid “BrD” and resid 49 and name HG1 %)

3.400
2.900
2.100 peak
6641
weight
0.11000E+01 volume
0.12406E+03 ppm1
8.564
ppm2
1.652

ASSI {6651}

((segid “BrD” and resid 64 and name HN))

((segid “BrD” and resid 64 and name HB1))

2.400
1.400
1.400 peak
6651
weight
0.11000E+01 volume
0.10941E+04 ppm1
8.584
ppm2
2.661

ASSI {6661}

((segid “BrD” and resid 64 and name HN))

((segid “BrD” and resid 64 and name HG1))

2.700
1.800
1.800 peak
6661
weight
0.11000E+01 volume
0.45034E+03 ppm1
8.584
ppm2
2.210

ASSI {6671}

((segid “BrD” and resid 64 and name HN))

((segid “BrD” and resid 64 and name HD1))

3.600
3.200
1.900 peak
6671
weight
0.11000E+01 volume
0.82950E+02 ppm1
8.584
ppm2
2.411

ASSI {6681}

((segid “BrD” and resid 104 and name HN))

((segid “BrD” and resid 104 and name HB1))

2.600
1.700
1.700 peak
6681
weight
0.11000E+01 volume
0.59758E+03 ppm1
7.763
ppm2
2.537

ASSI {6691}

((segid “BrD” and resid 104 and name HN))

((segid “BrD” and resid 104 and name HG1))

3.000
2.200
2.200 peak
6691
weight
0.11000E+01 volume
0.24911E+03 ppm1
7.763
ppm2
2.099

ASSI {6701}

((segid “BrD” and resid 104 and name HN))

((segid “BrD” and resid 104 and name HD1))

2.900
2.100
2.100 peak
6701
weight
0.11000E+01 volume
0.30408E+03 ppm1
7.763
ppm2
2.288

ASSI {6711}

((segid “BrD” and resid 111 and name HN))

((segid “BrD” and resid 111 and name HB1))

2.600
1.700
1.700 peak
6711
weight
0.11000E+01 volume
0.66813E+03 ppm1
8.168
ppm2
2.482

ASSI {6721}

((segid “BrD” and resid 111 and name HN))

((segid “BrD” and resid 111 and name HB2))

2.400
1.400
1.400 peak
6721
weight
0.11000E+01 volume
0.98067E+03 ppm1
8.170
ppm2
2.376

ASSI {6731}

((segid “BrD” and resid 111 and name HN))

((segid “BrD” and resid 111 and name HG2))

3.600
3.200
1.900 peak
6731
weight
0.11000E+01 volume
0.88731E+02 ppm1
8.168
ppm2
1.922

ASSI {6741}

((segid “BrD” and resid 111 and name HN))

((segid “BrD” and resid 111 and name HG1))

3.200
2.600
2.300 peak
6741
weight
0.11000E+01 volume
0.16392E+03 ppm1
8.168
ppm2
2.002

ASSI {6761}

((segid “BrD” and resid 19 and name HN))

((segid “BrD” and resid 19 and name HB1))

2.700
1.800
1.800 peak
6761
weight
0.11000E+01 volume
0.53478E+03 ppm1
9.187
ppm2
2.325

ASSI {6771}

((segid “BrD” and resid 19 and name HN))

((segid “BrD” and resid 19 and name HG1))

4.000
4.000
1.500 peak
6771
weight
0.11000E+01 volume
0.45358E+02 ppm1
9.188
ppm2
1.879

ASSI {6781}

((segid “BrD” and resid 19 and name HN))

((segid “BrD” and resid 18 and name HG))

2.800
2.000
2.000 peak
6781
weight
0.11000E+01 volume
0.38484E+03 ppm1
9.187
ppm2
2.271

ASSI {6791}

((segid “BrD” and resid 12 and name HN))

((segid “BrD” and resid 11 and name HA))

3.000
2.200
2.200 peak
6791
weight
0.11000E+01 volume
0.26617E+03 ppm1
9.021
ppm2
4.940

ASSI {6801}

((segid “BrD” and resid 97 and name HN))

((segid “BrD” and resid 97 and name HB1))

2.300
1.300
1.300 peak
6801
weight
0.11000E+01 volume
0.12859E+04 ppm1
8.674
ppm2
2.708

ASSI {6811}

((segid “BrD” and resid 97 and name HN))

((segid “BrD” and resid 97 and name HG2))

2.900
2.100
2.100 peak
6811
weight
0.11000E+01 volume
0.32919E+03 ppm1
8.674
ppm2
2.193

ASSI {6821}

((segid “BrD” and resid 109 and name HN))

((segid “BrD” and resid 109 and name HB1))

2.300
1.300
1.300 peak
6821
weight
0.11000E+01 volume
0.11797E+04 ppm1
8.573
ppm2
2.336

ASSI {6831}

((segid “BrD” and resid 109 and name HN))

((segid “BrD” and resid 109 and name HB2))

3.200
2.600
2.300 peak
6831
weight
0.11000E+01 volume
0.19151E+03 ppm1
8.573
ppm2
2.173

ASSI {6841}

((segid “BrD” and resid 109 and name HN))

((segid “BrD” and resid 109 and name HG1))

3.700
3.400
1.800 peak
6841
weight
0.11000E+01 volume
0.70793E+02 ppm1
8.574
ppm2
1.439

ASSI {6881}

((segid “BrD” and resid 86 and name HN))

((segid “BrD” and resid 86 and name HB1))

2.700
1.800
1.800 peak
6881
weight
0.11000E+01 volume
0.51142E+03 ppm1
8.422
ppm2
2.359

ASSI {6891}

((segid “BrD” and resid 86 and name HN))

((segid “BrD” and resid 86 and name HG2))

3.400
2.900
2.100 peak
6891
weight
0.11000E+01 volume
0.13112E+03 ppm1
8.423
ppm2
0.745

ASSI {6901}

((segid “BrD” and resid 86 and name HN))

((segid “BrD” and resid 86 and name HD1))

3.800
3.600
1.700 peak
6901
weight
0.11000E+01 volume
0.59192E+02 ppm1
8.423
ppm2
1.862

ASSI {6921}

((segid “BrD” and resid 103 and name HN))

((segid “BrD” and resid 103 and name HG1))

3.000
2.200
2.200 peak
6921
weight
0.11000E+01 volume
0.24153E+03 ppm1
8.695
ppm2
2.613

ASSI {6931}

((segid “BrD” and resid 104 and name HN))

((segid “BrD” and resid 103 and name HG1))

3.200
2.600
2.300 peak
6931
weight
0.11000E+01 volume
0.18108E+03 ppm1
7.763
ppm2
2.608

ASSI {6941}

((segid “BrD” and resid 48 and name HN))

((segid “BrD” and resid 48 and name HG1))

3.300
2.700
2.200 peak
6941
weight
0.11000E+01 volume
0.14027E+03 ppm1
8.307
ppm2
2.909

ASSI {6951}

((segid “BrD” and resid 49 and name HN))

((segid “BrD” and resid 48 and name HG1))

4.100
4.100
1.400 peak
6951
weight
0.11000E+01 volume
0.41580E+02 ppm1
7.762
ppm2
2.932

ASSI {6961}

((segid “BrD” and resid 66 and name HN))

((segid “BrD” and resid 66 and name HB1))

3.200
2.600
2.300 peak
6961
weight
0.11000E+01 volume
0.17814E+03 ppm1
8.763
ppm2
2.704

ASSI {6971}

((segid “BrD” and resid 35 and name HN))

((segid “BrD” and resid 35 and name HB1))

2.900
2.100
2.100 peak
6971
weight
0.11000E+01 volume
0.32270E+03 ppm1
7.734
ppm2
2.850

ASSI {6981}

((segid “BrD” and resid 54 and name HN))

((segid “BrD” and resid 53 and name HA))

2.500
1.600
1.600 peak
6981
weight
0.11000E+01 volume
0.78564E+03 ppm1
9.036
ppm2
4.690

ASSI {6991}

((segid “BrD” and resid 38 and name HN))

((segid “BrD” and resid 37 and name HA))

2.200
1.200
1.200 peak
6991
weight
0.11000E+01 volume
0.16736E+04 ppm1
8.731
ppm2
4.849

ASSI {7001}

((segid “BrD” and resid 51 and name HN))

((segid “BrD” and resid 51 and name HB1))

2.500
2.100
2.100 peak
7001
weight
0.11000E+01 volume
0.35413E+03 ppm1
8.375
ppm2
1.980

ASSI {7011}

((segid “BrD” and resid 51 and name HN))

((segid “BrD” and resid 51 and name HB2))

3.000
2.200
2.200 peak
7011
weight
0.11000E+01 volume
0.24666E+03 ppm1
8.375
ppm2
1.818

ASSI {7021}

((segid “BrD” and resid 51 and name HN))

((segid “BrD” and resid 51 and name HG2))

3.000
2.200
2.200 peak
7021
weight
0.11000E+01 volume
0.24666E+03 ppm1
8.375
ppm2
1.786

ASSI {7041}

((segid “BrD” and resid 52 and name HN))

((segid “BrD” and resid 52 and name HA))

2.900
2.100
2.100 peak
7041
weight
0.11000E+01 volume
0.32203E+03 ppm1
9.004
ppm2
5.591

ASSI {7051}

((segid “BrD” and resid 52 and name HN))

((segid “BrD” and resid 52 and name HB1))

2.700
1.800
1.800 peak
7051
weight
0.11000E+01 volume
0.48728E+03 ppm1
9.004
ppm2
3.641

ASSI {7061}

((segid “BrD” and resid 52 and name HN))

((segid “BrD” and resid 52 and name HB2))

2.500
1.600
1.600 peak
7061
weight
0.11000E+01 volume
0.72550E+03 ppm1
9.003
ppm2
3.514

ASSI {7071}

((segid “BrD” and resid 52 and name HN))

((segid “BrD” and resid 51 and name HN))

2.600
1.700
1.700 peak
7071
weight
0.11000E+01 volume
0.63507E+03 ppm1
9.004
ppm2
8.356

ASSI {7091}

((segid “BrD” and resid 52 and name HN))

((segid “BrD” and resid 51 and name HA))

3.000
2.200
2.200 peak
7091
weight
0.11000E+01 volume
0.26640E+03 ppm1
9.004
ppm2
4.482

ASSI {7101}

((segid “BrD” and resid 52 and name HN))

((segid “BrD” and resid 53 and name HD1))

3.500
3.100
2.000 peak
7101
weight
0.11000E+01 volume
0.10263E+03 ppm1
9.004
ppm2
4.230

ASSI {7111}

((segid “BrD” and resid 52 and name HN))

((segid “BrD” and resid 53 and name HD2))

3.900
3.800
1.600 peak
7111
weight
0.11000E+01 volume
0.57287E+02 ppm1
9.003
ppm2
3.997

ASSI {7141}

((segid “BrD” and resid 59 and name HN))

((segid “BrD” and resid 59 and name HG2))

3.300
2.700
2.200 peak
7141
weight
0.11000E+01 volume
0.14900E+03 ppm1
8.496
ppm2
3.103

ASSI {7151}

((segid “BrD” and resid 59 and name HN))

((segid “BrD” and resid 59 and name HG1))

3.400
2.900
2.100 peak
7151
weight
0.11000E+01 volume
0.12335E+03 ppm1
8.498
ppm2
3.228

ASSI {7161}

((segid “BrD” and resid 59 and name HN))

((segid “BrD” and resid 59 and name HB1))

3.400
2.900
2.100 peak
7161
weight
0.11000E+01 volume
0.11956E+03 ppm1
8.498
ppm2
2.700

ASSI {7171}

((segid “BrD” and resid 59 and name HN))

((segid “BrD” and resid 59 and name HB2))

3.200
2.600
2.300 peak
7171
weight
0.11000E+01 volume
0.17215E+03 ppm1
8.499
ppm2
2.504

ASSI {7181}

((segid “BrD” and resid 57 and name HN))

((segid “BrD” and resid 57 and name HB1))

2.400
1.400
1.400 peak
7181
weight
0.11000E+01 volume
0.94732E+03 ppm1
9.359
ppm2
2.947

ASSI {7191}

((segid “BrD” and resid 57 and name HN))

((segid “BrD” and resid 57 and name HB2))

2.500
1.600
1.600 peak
7191
weight
0.11000E+01 volume
0.75718E+03 ppm1
9.358
ppm2
2.827

ASSI {7201}

((segid “BrD” and resid 57 and name HN))

((segid “BrD” and resid 57 and name HG1))

3.600
3.200
1.900 peak
7201
weight
0.11000E+01 volume
0.93147E+02 ppm1
9.359
ppm2
2.088

ASSI {7211}

((segid “BrD” and resid 57 and name HN))

((segid “BrD” and resid 57 and name HD1))

4.300
4.300
1.200 peak
7211
weight
0.11000E+01 volume
0.28923E+02 ppm1
9.358
ppm2
2.411

ASSI {7221}

((segid “BrD” and resid 57 and name HN))

((segid “BrD” and resid 57 and name HD2))

3.400
2.900
2.100 peak
7221
weight
0.11000E+01 volume
0.13023E+03 ppm1
9.359
ppm2
2.292

ASSI {7231}

((segid “BrD” and resid 26 and name HN))

((segid “BrD” and resid 26 and name HB1))

3.300
2.700
2.200 peak
7231
weight
0.11000E+01 volume
0.15703E+03 ppm1
9.195
ppm2
2.463

ASSI {7241}

((segid “BrD” and resid 26 and name HN))

((segid “BrD” and resid 26 and name HD1))

3.500
3.100
2.000 peak
7241
weight
0.11000E+01 volume
0.99010E+02 ppm1
9.196
ppm2
2.092

ASSI {7261}

((segid “BrD” and resid 10 and name HN))

((segid “BrD” and resid 11 and name HD1))

4.600
4.600
0.900 peak
7261
weight
0.11000E+01 volume
0.20621E+02 ppm1
8.885
ppm2
4.475

ASSI {7271}

((segid “BrD” and resid 10 and name HN))

((segid “BrD” and resid 9 and name HB1))

3.400
2.900
2.100 peak
7271
weight
0.11000E+01 volume
0.12456E+03 ppm1
8.883
ppm2
2.422

ASSI {7281}

((segid “BrD” and resid 13 and name HN))

((segid “BrD” and resid 12 and name HB1))

3.500
3.100
2.000 peak
7281
weight
0.11000E+01 volume
0.11107E+03 ppm1
8.802
ppm2
3.399

ASSI {7301}

((segid “BrD” and resid 15 and name HN))

((segid “BrD” and resid 14 and name HN))

2.900
2.100
2.100 peak
7301
weight
0.11000E+01 volume
0.2$$9E+03 ppm1
8.597
ppm2
8.817

ASSI {7311}

((segid “BrD” and resid 16 and name HN))

((segid “BrD” and resid 13 and name HA))

3.600
3.100
2.000 peak
7311
weight
0.11000E+01 volume
0.96679E+02 ppm1
8.794
ppm2
4.770

ASSI {7321}

((segid “BrD” and resid 15 and name HN))

(segid “BrD” and resid 14 and name HD2 %)

3.600
3.200
1.900 peak
7321
weight
0.11000E+01 volume
0.89979E+02 ppm1
8.598
ppm2
1.393

ASSI {7331}

((segid “BrD” and resid 15 and name HN))

((segid “BrD” and resid 14 and name HB1))

2.600
1.700
1.700 peak
7331
weight
0.11000E+01 volume
0.55160E+03 ppm1
8.599
ppm2
2.454

ASSI {7341}

((segid “BrD” and resid 15 and name HN))

((segid “BrD” and resid 14 and name HB2))

3.600
3.200
1.900 peak
7341
weight
0.11000E+01 volume
0.85197E+02 ppm1
8.598
ppm2
2.162

ASSI {7351}

((segid “BrD” and resid 18 and name HN))

((segid “BrD” and resid 14 and name HA))

3.500
3.100
2.000 peak
7351
weight
0.11000E+01 volume
0.10770E+03 ppm1
9.071
ppm2
4.652

ASSI {7361}

((segid “BrD” and resid 21 and name HN))

((segid “BrD” and resid 18 and name HA))

3.200
2.600
2.300 peak
7361
weight
0.11000E+01 volume
0.16933E+03 ppm1
8.544
ppm2
3.874

ASSI {7371}

((segid “BrD” and resid 22 and name HN))

((segid “BrD” and resid 18 and name HA))

3.700
3.400
1.800 peak
7371
weight
0.11000E+01 volume
0.72924E+02 ppm1
9.456
ppm2
3.896

ASSI {7381}

((segid “BrD” and resid 19 and name HN))

((segid “BrD” and resid 18 and name HB1))

2.800
2.000
2.000 peak
7381
weight
0.11000E+01 volume
0.40235E+03 ppm1
9.186
ppm2
2.139

ASSI {7391}

((segid “BrD” and resid 19 and name HN))

(segid “BrD” and resid 18 and name HD1 %)

3.800
3.600
1.700 peak
7391
weight
0.11000E+01 volume
0.63600E+02 ppm1
9.189
ppm2
1.084

ASSI {7401}

((segid “BrD” and resid 19 and name HN))

(segid “BrD” and resid 18 and name HD2 %)

3.700
3.400
1.800 peak
7401
weight
0.11000E+01 volume
0.71915E+02 ppm1
9.187
ppm2
0.414

ASSI {7411}

((segid “BrD” and resid 20 and name HN))

((segid “BrD” and resid 19 and name HB1))

3.200
2.600
2.300 peak
7411
weight
0.11000E+01 volume
0.16507E+03 ppm1
8.146
ppm2
2.336

ASSI {7421}

((segid “BrD” and resid 20 and name HN))

((segid “BrD” and resid 19 and name HB2))

3.400
2.900
2.100 peak
7421
weight
0.11000E+01 volume
0.13044E+03 ppm1
8.147
ppm2
1.967

ASSI {7431}

((segid “BrD” and resid 23 and name HN))

((segid “BrD” and resid 19 and name HA))

3.600
3.200
1.900 peak
7431
weight
0.11000E+01 volume
0.90645E+02 ppm1
9.120
ppm2
4.286

ASSI {7441}

((segid “BrD” and resid 23 and name HN))

((segid “BrD” and resid 20 and name HA))

3.400
2.900
2.100 peak
7441
weight
0.11000E+01 volume
0.11524E+03 ppm1
9.118
ppm2
4.895

ASSI {7451}

((segid “BrD” and resid 20 and name HN))

((segid “BrD” and resid 22 and name HN))

3.600
3.200
1.900 peak
7451
weight
0.11000E+01 volume
0.81392E+02 ppm1
8.147
ppm2
9.450

ASSI {7471}

((segid “BrD” and resid 21 and name HN))

((segid “BrD” and resid 23 and name HN))

4.100
4.100
1.400 peak
7471
weight
0.11000E+01 volume
0.42834E+02 ppm1
8.545
ppm2
9.130

ASSI {7491}

((segid “BrD” and resid 24 and name HN))

((segid “BrD” and resid 21 and name HA))

3.200
2.600
2.300 peak
7491
weight
0.11000E+01 volume
0.16448E+03 ppm1
8.661
ppm2
4.371

ASSI {7501}

((segid “BrD” and resid 26 and name HN))

((segid “BrD” and resid 23 and name HA))

3.400
2.900
2.100 peak
7501
weight
0.11000E+01 volume
0.12059E+03 ppm1
9.196
ppm2
4.639

ASSI {7511}

((segid “BrD” and resid 27 and name HN))

((segid “BrD” and resid 24 and name HA))

3.200
2.600
2.300 peak
7511
weight
0.11000E+01 volume
0.17746E+03 ppm1
8.170
ppm2
4.777

ASSI {7521}

((segid “BrD” and resid 26 and name HN))

((segid “BrD” and resid 25 and name HA))

3.600
3.200
1.900 peak
7521
weight
0.11000E+01 volume
0.92661E+02 ppm1
8.166
ppm2
4.449

ASSI {7531}

((segid “BrD” and resid 26 and name HN))

((segid “BrD” and resid 25 and name HB))

2.600
1.700
1.700 peak
7531
weight
0.11000E+01 volume
0.67212E+03 ppm1
9.196
ppm2
2.991

ASSI {7541}

((segid “BrD” and resid 26 and name HN))

(segid “BrD” and resid 25 and name HG2 %)

2.900
2.100
2.100 peak
7541
weight
0.11000E+01 volume
0.31151E+03 ppm1
9.196
ppm2
1.640

ASSI {7551}

((segid “BrD” and resid 26 and name HN))

(segid “BrD” and resid 25 and name HG1 %)

3.100
2.400
2.400 peak
7551
weight
0.11000E+01 volume
0.21302E+03 ppm1
9.197
ppm2
1.790

ASSI {7561}

((segid “BrD” and resid 43 and name HN))

((segid “BrD” and resid 44 and name HD1))

3.400
2.900
2.100 peak
7561
weight
0.11000E+01 volume
0.11281E+03 ppm1
8.001
ppm2
4.324

ASSI {7571}

((segid “BrD” and resid 43 and name HN))

((segid “BrD” and resid 44 and name HD2))

3.100
2.400
2.400 peak
7571
weight
0.11000E+01 volume
0.21754E+03 ppm1
8.001
ppm2
4.122

ASSI {7581}

((segid “BrD” and resid 49 and name HN))

((segid “BrD” and resid 46 and name HA))

3.900
3.800
1.600 peak
7581
weight
0.11000E+01 volume
0.54216E+02 ppm1
7.763
ppm2
4.143

ASSI {7591}

((segid “BrD” and resid 56 and name HN))

((segid “BrD” and resid 56 and name HB1))

2.700
1.800
1.800 peak
7591
weight
0.11000E+01 volume
0.48254E+03 ppm1
9.679
ppm2
2.693

ASSI {7601}

((segid “BrD” and resid 61 and name HN))

((segid “BrD” and resid 58 and name HA))

2.900
2.100
2.100 peak
7601
weight
0.11000E+01 volume
0.30089E+03 ppm1
8.749
ppm2
4.452

ASSI {7611}

((segid “BrD” and resid 64 and name HN))

((segid “BrD” and resid 60 and name HA))

3.400
2.900
2.100 peak
7611
weight
0.11000E+01 volume
0.11932E+03 ppm1
8.584
ppm2
4.807

ASSI {7621}

((segid “BrD” and resid 66 and name HN))

((segid “BrD” and resid 66 and name HD1))

2.900
2.100
2.100 peak
7421
weight
0.11000E+01 volume
0.29994E+03 ppm1
8.759
ppm2
3.667

ASSI {7631}

((segid “BrD” and resid 75 and name HN))

((segid “BrD” and resid 72 and name HA))

3.400
2.900
2.100 peak
7631
weight
0.11000E+01 volume
0.13400E+03 ppm1
9.106
ppm2
4.669

ASSI {7651}

((segid “BrD” and resid 79 and name HN))

((segid “BrD” and resid 76 and name HA))

3.200
2.600
2.300 peak
7651
weight
0.11000E+01 volume
0.16410E+03 ppm1
8.680
ppm2
4.691

ASSI {7661}

((segid “BrD” and resid 80 and name HN))

((segid “BrD” and resid 77 and name HA))

3.700
3.400
1.800 peak
7661
weight
0.11000E+01 volume
0.79484E+02 ppm1
8.006
ppm2
4.969

ASSI {7671}

((segid “BrD” and resid 81 and name HN))

((segid “BrD” and resid 78 and name HA))

3.300
2.700
2.200 peak
7671
weight
0.11000E+01 volume
0.15049E+03 ppm1
7.619
ppm2
3.989

ASSI {7681}

((segid “BrD” and resid 82 and name HN))

((segid “BrD” and resid 79 and name HA))

3.600
3.200
1.900 peak
7681
weight
0.11000E+01 volume
0.80779E+02 ppm1
6.981
ppm2
4.411

ASSI {7701}

((segid “BrD” and resid 84 and name HN))

(segid “BrD” and resid 81 and name HA))

3.500
3.100
2.000 peak
7701
weight
0.11000E+01 volume
0.10576E+03 ppm1
9.463
ppm2
3.705

ASSI {7711}

((segid “BrD” and resid 85 and name HN))

((segid “BrD” and resid 82 and name HA))

3.300
2.700
2.200 peak
7711
weight
0.11000E+01 volume
0.13652E+03 ppm1
7.516
ppm2
4.768

ASSI {7721}

((segid “BrD” and resid 89 and name HN))

((segid “BrD” and resid 86 and name HA))

3.500
3.100
2.000 peak
7721
weight
0.11000E+01 volume
0.10495E+03 ppm1
8.858
ppm2
4.811

ASSI {7731}

((segid “BrD” and resid 93 and name HN))

((segid “BrD” and resid 92 and name HA))

3.600
3.200
1.900 peak
7731
weight
0.11000E+01 volume
0.94491E+02 ppm1
8.713
ppm2
4.796

ASSI {7741}

((segid “BrD” and resid 98 and name HN))

((segid “BrD” and resid 95 and name HA))

3.300
2.700
2.200 peak
7741
weight
0.11000E+01 volume
0.14245E+03 ppm1
9.125
ppm2
4.441

ASSI {7751}

((segid “BrD” and resid 77 and name HN))

((segid “BrD” and resid 75 and name HN))

3.500
3.100
2.000 peak
7751
weight
0.11000E+01 volume
0.10255E+03 ppm1
7.985
ppm2
9.096

ASSI {7761}

((segid “BrD” and resid 98 and name HN))

((segid “BrD” and resid 96 and name HN))

3.900
3.800
1.600 peak
7761
weight
0.11000E+01 volume
0.51137E+02 ppm1
9.125
ppm2
7.963

ASSI {7771}

((segid “BrD” and resid 102 and name HN))

((segid “BrD” and resid 98 and name HA))

3.500
3.100
2.000 peak
7771
weight
0.11000E+01 volume
0.10795E+03 ppm1
9.156
ppm2
4.809

ASSI {7781}

((segid “BrD” and resid 102 and name HN))

((segid “BrD” and resid 99 and name HA))

3.500
3.100
2.000 peak
7781
weight
0.11000E+01 volume
0.10223E+03 ppm1
9.156
ppm2
4.443

ASSI {7791}

((segid “BrD” and resid 103 and name HN))

((segid “BrD” and resid 100 and name HA))

3.000
2.200
2.200 peak
7791
weight
0.11000E+01 volume
0.26822E+03 ppm1
8.696
ppm2
4.932

ASSI {7801}

((segid “BrD” and resid 104 and name HN))

((segid “BrD” and resid 101 and name HA))

3.000
2.200
2.200 peak
7801
weight
0.11000E+01 volume
0.25521E+03 ppm1
7.763
ppm2
4.275

ASSI {7811}

((segid “BrD” and resid 102 and name HN))

((segid “BrD” and resid 104 and name HN))

4.300
4.300
1.200 peak
7811
weight
0.11000E+01 volume
0.28976E+02 ppm1
9.156
ppm2
7.772

ASSI {7831}

((segid “BrD” and resid 105 and name HN))

((segid “BrD” and resid 102 and name HA))

3.300
2.700
2.200 peak
7831
weight
0.11000E+01 volume
0.14640E+03 ppm1
$$
ppm2
4.290

ASSI {7841}

((segid “BrD” and resid 108 and name HN))

((segid “BrD” and resid 105 and name HA))

3.600
3.200
1.900 peak
7841
weight
0.11000E+01 volume
0.82783E+02 ppm1
8.526
ppm2
4.936

ASSI {7851}

((segid “BrD” and resid 16 and name HN))

((segid “BrD” and resid 16 and name HB1))

2.900
2.100
2.100 peak
7851
weight
0.11000E+01 volume
0.35014E+03 ppm1
8.794
ppm2
4.587

ASSI {7861

((segid “BrD” and resid 24 and name HE22))

((segid “BrD” and resid 24 and name HG2))

4.100
4.100
1.400 peak
7861
weight
0.11000E+01 volume
0.40620E+02 ppm1
7.523
ppm2
3.068

ASSI {7871}

((segid “BrD” and resid 24 and name HE21))

((segid “BrD” and resid 24 and name HG2))

3.500
3.100
2.000 peak
7871
weight
0.11000E+01 volume
0.10084E+03 ppm1
7.629
ppm2
3.067

ASSI {7881}

((segid “BrD” and resid 25 and name HN))

((segid “BrD” and resid 24 and name HG1))

3.400
2.900
2.100 peak
7881
weight
0.11000E+01 volume
0.11666E+03 ppm1
9.133
ppm2
3.447

ASSI {7891}

((segid “BrD” and resid 18 and name HN))

(segid “BrD” and resid 18 and name HD1 %)

2.900
2.100
2.100 peak
7891
weight
0.11000E+01 volume
0.29964E+03 ppm1
9.072
ppm2
1.068

ASSI {7901}

((segid “BrD” and resid 73 and name HN))

(segid “BrD” and resid 73 and name HD1 %)

3.300
2.700
2.200 peak
7901
weight
0.11000E+01 volume
0.15507E+03 ppm1
8.049
ppm2
1.540

ASSI {7911}

((segid “BrD” and resid 73 and name HN))

((segid “BrD” and resid 73 and name HB1))

2.800
2.000
2.000 peak
7911
weight
0.11000E+01 volume
0.38621E+03 ppm1
8.045
ppm2
2.590

ASSI {7921}

((segid “BrD” and resid 56 and name HN))

(segid “BrD” and resid 56 and name HD2 %)

3.100
2.400
2.400 peak
7921
weight
0.11000E+01 volume
0.19974E+03 ppm1
9.679
ppm2
1.235

ASSI {7931}

((segid “BrD” and resid 22 and name HN))

(segid “BrD” and resid 22 and name HD2 %)

3.000
2.200
2.200 peak
7931
weight
0.11000E+01 volume
0.25836E+03 ppm1
9.455
ppm2
1.584

ASSI {7941}

((segid “BrD” and resid 110 and name HN))

((segid “BrD” and resid 110 and name HG11))

2.900
2.100
2.100 peak
7941
weight
0.11000E+01 volume
0.31947E+03 ppm1
8.715
ppm2
1.745

ASSI {7951}

((segid “BrD” and resid 29 and name HN))

((segid “BrD” and resid 29 and name HG1))

3.100
2.400
2.400 peak
7951
weight
0.11000E+01 volume
0.23530E+03 ppm1
9.152
ppm2
3.021

ASSI {7961}

((segid “BrD” and resid 23 and name HN))

((segid “BrD” and resid 23 and name HB2))

2.400
1.400
1.400 peak
7961
weight
0.11000E+01 volume
0.91388E+03 ppm1
9.120
ppm2
2.851

ASSI {7971}

((segid “BrD” and resid 80 and name HN))

((segid “BrD” and resid 80 and name HD2))

4.400
4.400
1.100 peak
7971
weight
0.11000E+01 volume
0.24560E+03 ppm1
8.007
ppm2
3.932

ASSI {7981}

((segid “BrD” and resid 100 and name HN))

((segid “BrD” and resid 100 and name HB1))

2.800
2.000
2.000 peak
7981
weight
0.11000E+01 volume
0.39419E+03 ppm1
8.669
ppm2
3.493

ASSI {7991}

((segid “BrD” and resid 19 and name HN))

((segid “BrD” and resid 19 and name HB2))

3.000
2.200
2.200 peak
7991
weight
0.11000E+01 volume
0.28394E+03 ppm1
9.187
ppm2
1.971

ASSI {8001}

((segid “BrD” and resid 97 and name HN))

((segid “BrD” and resid 97 and name HG1))

2.500
1.600
1.600 peak
8001
weight
0.11000E+01 volume
0.82725E+03 ppm1
8.674
ppm2
2.415

ASSI {8011}

((segid “BrD” and resid 105 and name HN))

((segid “BrD” and resid 105 and name HB2))

3.100
2.400
2.400 peak
8011
weight
0.11000E+01 volume
0.23309E+03 ppm1
8.487
ppm2
3.654

ASSI {8021}

((segid “BrD” and resid 12 and name HN))

((segid “BrD” and resid 12 and name HB2))

3.100
2.400
2.400 peak
8021
weight
0.11000E+01 volume
0.23285E+03 ppm1
9.021
ppm2
3.337

ASSI {8031}

((segid “BrD” and resid 10 and name HN))

((segid “BrD” and resid 10 and name HB2))

3.000
2.200
2.200 peak
8031
weight
0.11000E+01 volume
0.26676E+03 ppm1
8.886
ppm2
3.299

ASSI {8041}

((segid “BrD” and resid 114 and name HN))

((segid “BrD” and resid 114 and name HA2))

2.800
2.000
2.000 peak
8041
weight
0.11000E+01 volume
0.43718E+03 ppm1
8.375
ppm2
4.531

ASSI {8051}

((segid “BrD” and resid 85 and name HN))

((segid “BrD” and resid 85 and name HB2))

3.100
2.400
2.400 peak
8051
weight
0.11000E+01 volume
0.21741E+03 ppm1
7.517
ppm2
3.603

ASSI {8101}

((segid “BrD” and resid 39 and name HN))

((segid “BrD” and resid 39 and name HB1))

2.800
2.000
2.000 peak
8101
weight
0.11000E+01 volume
0.36178E+03 ppm1
9.651
ppm2
3.480

ASSI {8111}

((segid “BrD” and resid 39 and name HN))

((segid “BrD” and resid 39 and name HD1))

2.500
1.600
1.600 peak
8111
weight
0.11000E+01 volume
0.74538E+03 ppm1
9.653
ppm2
2.280

ASSI {8121}

((segid “BrD” and resid 39 and name HN))

((segid “BrD” and resid 39 and name HG1))

3.100
2.400
2.400 peak
8121
weight
0.11000E+01 volume
0.20991E+03 ppm1
9.651
ppm2
2.042

ASSI {8131}

((segid “BrD” and resid 57 and name HN))

((segid “BrD” and resid 59 and name HN))

3.700
3.400
1.800 peak
8131
weight
0.11000E+01 volume
0.75880E+02 ppm1
9.355
ppm2
8.478

ASSI {8171}

((segid “BrD” and resid 57 and name HN))

((segid “BrD” and resid 56 and name HB1))

2.800
2.000
2.000 peak
8171
weight
0.11000E+01 volume
0.40297E+03 ppm1
9.359
ppm2
2.702

ASSI {8191}

((segid “BrD” and resid 57 and name HN))

(segid “BrD” and resid 56 and name HD1 %)

3.700
3.400
1.800 peak
8191
weight
0.11000E+01 volume
0.68904E+02 ppm1
9.358
ppm2
1.547

ASSI {8201}

((segid “BrD” and resid 57 and name HN))

((segid “BrD” and resid 57 and name HG2))

3.700
3.400
1.800 peak
8201
weight
0.11000E+01 volume
0.72644E+02 ppm1
9.361
ppm2
2.011

ASSI {8241}

((segid “BrD” and resid 28 and name HN))

((segid “BrD” and resid 24 and name HA))

3.600
3.200
1.900 peak
8241
weight
0.11000E+01 volume
0.82533E+02 ppm1
8.166
ppm2
4.803

ASSI {8251}

((segid “BrD” and resid 28 and name HN))

((segid “BrD” and resid 28 and name HD2))

3.800
3.600
1.700 peak
8251
weight
0.11000E+01 volume
0.64220E+02 ppm1
8.166
ppm2
5.585

ASSI {8351}

((segid “BrD” and resid 51 and name HN))

(segid “BrD” and resid 50 and name HD2 %)

3.000
2.200
2.200 peak
8351
weight
0.11000E+01 volume
0.27507E+03 ppm1
8.379
ppm2
0.982

ASSI {8431}

((segid “BrD” and resid 117 and name HN))

(segid “BrD” and resid 116 and name HG2 %)

3.700
3.400
1.800 peak
8431
weight
0.11000E+01 volume
0.73143E+02 ppm1
8.877
ppm2
1.422

ASSI {8471}

((segid “BrD” and resid 102 and name HN))

((segid “BrD” and resid 101 and name HB))

3.000
2.200
2.200 peak
8471
weight
0.11000E+01 volume
0.25477E+03 ppm1
9.156
ppm2
2.531

ASSI {8491}

((segid “BrD” and resid 102 and name HN))

(segid “BrD” and resid 101 and name HG2 %)

3.300
2.700
2.200 peak
8491
weight
0.11000E+01 volume
0.14766E+03 ppm1
9.156
ppm2
1.598

ASSI {8541}

((segid “BrD” and resid 46 and name HN))

(segid “BrD” and resid 46 and name HD %)

3.500
3.100
2.000 peak
8541
weight
0.11000E+01 volume
0.10722E+03 ppm1
8.562
ppm2
5.719

ASSI {8591}

((segid “BrD” and resid 43 and name HN))

((segid “BrD” and resid 41 and name HA))

3.000
2.200
2.200 peak
8591
weight
0.11000E+01 volume
0.24489E+03 ppm1
8.001
ppm2
4.645

ASSI {8671}

((segid “BrD” and resid 111 and name HN))

((segid “BrD” and resid 110 and name HG11))

3.600
3.200
1.900 peak
8671
weight
0.11000E+01 volume
0.81338E+02 ppm1
8.168
ppm2
1.747

ASSI {8701}

((segid “BrD” and resid 111 and name HN))

(segid “BrD” and resid 110 and name HD1 %)

4.000
4.000
1.500 peak
8701
weight
0.11000E+01 volume
0.48240E+02 ppm1
8.168
ppm2
1.148

ASSI {8731}

((segid “BrD” and resid 58 and name HN))

((segid “BrD” and resid 57 and name HB1))

3.100
2.400
2.400 peak
8731
weight
0.11000E+01 volume
0.22478E+03 ppm1
10.051
ppm2
2.937

ASSI {8741}

((segid “BrD” and resid 58 and name HN))

((segid “BrD” and resid 57 and name HB2))

3.100
2.400
2.400 peak
8741
weight
0.11000E+01 volume
0.21450E+03 ppm1
10.051
ppm2
2.831

ASSI {8761}

((segid “BrD” and resid 58 and name HN))

((segid “BrD” and resid 57 and name HD1))

4.300
4.300
1.200 peak
8761
weight
0.11000E+01 volume
0.29553E+02 ppm1
10.051
ppm2
2.400

ASSI {8771}

((segid “BrD” and resid 58 and name HN))

((segid “BrD” and resid 57 and name HD2))

3.800
3.600
1.700 peak
8771
weight
0.11000E+01 volume
0.60769E+02 ppm1
10.051
ppm2
2.303

ASSI {8781}

((segid “BrD” and resid 58 and name HN))

((segid “BrD” and resid 57 and name HG1))

3.800
3.600
1.700 peak
8781
weight
0.11000E+01 volume
0.60094E+02 ppm1
10.051
ppm2
2.090

ASSI {8791}

((segid “BrD” and resid 58 and name HN))

((segid “BrD” and resid 57 and name HG2))

3.800
3.600
1.700 peak
8791
weight
0.11000E+01 volume
0.67776E+02 ppm1
10.051
ppm2
2.010

ASSI {8821}

((segid “BrD” and resid 10 and name HN))

((segid “BrD” and resid 9 and name HG1))

4.100
4.100
1.400 peak
8821
weight
0.11000E+01 volume
0.38664E+02 ppm1
8.885
ppm2
2.288

ASSI {8831}

((segid “BrD” and resid 11 and name HN))

((segid “BrD” and resid 12 and name HB2))

3.400
2.900
2.100 peak
8831
weight
0.11000E+01 volume
0.11575E+03 ppm1
8.803
ppm2
3.337

ASSI {8841}

((segid “BrD” and resid 14 and name HN))

((segid “BrD” and resid 12 and name HN))

2.600
1.700
1.700 peak
8841
weight
0.11000E+01 volume
0.58119E+03 ppm1
8.803
ppm2
9.004

ASSI {8921}

((segid “BrD” and resid 112 and name HN))

((segid “BrD” and resid 111 and name HB1))

2.700
1.800
1.800 peak
8921
weight
0.11000E+01 volume
0.53559E+03 ppm1
8.666
ppm2
2.473

ASSI {8931}

((segid “BrD” and resid 112 and name HN))

((segid “BrD” and resid 111 and name HB2))

3.100
2.400
2.400 peak
8931
weight
0.11000E+01 volume
0.20903E+03 ppm1
8.667
ppm2
3.363

ASSI {8951}

((segid “BrD” and resid 112 and name HN))

((segid “BrD” and resid 111 and name HG1))

3.800
3.600
1.700 peak
8951
weight
0.11000E+01 volume
0.46936E+02 ppm1
8.668
ppm2
1.997

ASSI {9001}

((segid “BrD” and resid 109 and name HN))

((segid “BrD” and resid 104 and name HB1))

2.600
1.700
1.700 peak
9001
weight
0.11000E+01 volume
0.67760E+03 ppm1
8.487
ppm2
2.536

ASSI {9021}

((segid “BrD” and resid 105 and name HN))

((segid “BrD” and resid 104 and name HG1))

4.800
4.800
0.700 peak
9021
weight
0.11000E+01 volume
0.16288E+02 ppm1
8.485
ppm2
2.099

ASSI {9081}

((segid “BrD” and resid 109 and name HN))

((segid “BrD” and resid 108 and name HB1))

2.500
1.600
1.600 peak
9081
weight
0.11000E+01 volume
0.75253E+03 ppm1
8.573
ppm2
4.614

ASSI {9141}

((segid “BrD” and resid 106 and name HN))

(segid “BrD” and resid 106 and name HD %)

3.700
3.400
1.800 peak
9141
weight
0.11000E+01 volume
0.76595E+02 ppm1
9.740
ppm2
7.511

ASSI {9151}

((segid “BrD” and resid 106 and name HN))

((segid “BrD” and resid 102 and name HA))

3.700
3.400
1.800 peak
9151
weight
0.11000E+01 volume
0.78592E+02 ppm1
9.740
ppm2
4.277

ASSI {9301}

((segid “BrD” and resid 63 and name HN))

((segid “BrD” and resid 60 and name HA))

3.800
3.600
1.700 peak
9301
weight
0.11000E+01 volume
0.67510E+02 ppm1
9.471
ppm2
4.809

ASSI {9321}

((segid “BrD” and resid 63 and name HN))

((segid “BrD” and resid 62 and name HB1))

2.200
1.200
1.200 peak
9321
weight
0.11000E+01 volume
0.14701E+04 ppm1
9.472
ppm2
2.654

ASSI {9331}

((segid “BrD” and resid 63 and name HN))

((segid “BrD” and resid 61 and name HN))

3.500
3.100
2.000 peak
9331
weight
0.11000E+01 volume
0.10977E+03 ppm1
9.475
ppm2
8.757

ASSI {9351}

((segid “BrD” and resid 22 and name HN))

((segid “BrD” and resid 20 and name HA))

4.100
4.100
1.400 peak
9351
weight
0.11000E+01 volume
0.39214E+02 ppm1
9.458
ppm2
4.872

ASSI {9361}

((segid “BrD” and resid 22 and name HN))

((segid “BrD” and resid 19 and name HA))

3.600
3.200
1.900 peak
9361
weight
0.11000E+01 volume
0.85958E+02 ppm1
9.457
ppm2
4.286

ASSI {9391}

((segid “BrD” and resid 22 and name HN))

((segid “BrD” and resid 21 and name HB))

2.700
1.800
1.800 peak
9391
weight
0.11000E+01 volume
0.51430E+03 ppm1
9.457
ppm2
2.491

ASSI {9551}

((segid “BrD” and resid 103 and name HN))

((segid “BrD” and resid 99 and name HA))

4.600
4.600
0.900 peak
9551
weight
0.11000E+01 volume
0.21373E+02 ppm1
8.695
ppm2
4.441

ASSI {9571}

((segid “BrD” and resid 103 and name HN))

((segid “BrD” and resid 102 and name HG))

3.200
2.600
2.300 peak
9571
weight
0.11000E+01 volume
0.17364E+03 ppm1
8.695
ppm2
2.187

ASSI {9581}

((segid “BrD” and resid 103 and name HN))

(segid “BrD” and resid 101 and name HG2 %)

3.000
2.200
2.200 peak
9581
weight
0.11000E+01 volume
0.23656E+03 ppm1
8.695
ppm2
1.624

ASSI {9591}

((segid “BrD” and resid 103 and name HN))

(segid “BrD” and resid 102 and name HD1 %)

3.600
3.200
1.900 peak
9591
weight
0.11000E+01 volume
0.85679E+02 ppm1
8.695
ppm2
1.308

ASSI {9601}

((segid “BrD” and resid 103 and name HN))

((segid “BrD” and resid 102 and name HB2))

3.200
2.600
2.300 peak
9401
weight
0.11000E+01 volume
0.18049E+03 ppm1
8.695
ppm2
1.086

ASSI {9691}

((segid “BrD” and resid 18 and name HN))

((segid “BrD” and resid 18 and name HB2))

2.800
2.000
2.000 peak
9691
weight
0.11000E+01 volume
0.37426E+03 ppm1
9.073
ppm2
0.909

ASSI {9701}

((segid “BrD” and resid 64 and name HN))

((segid “BrD” and resid 61 and name HA))

3.100
2.400
2.400 peak
9701
weight
0.11000E+01 volume
0.22483E+03 ppm1
8.584
ppm2
4.652

ASSI {9711}

((segid “BrD” and resid 64 and name HN))

((segid “BrD” and resid 62 and name HA))

3.900
3.800
1.600 peak
9711
weight
0.11000E+01 volume
0.56508E+02 ppm1
8.583
ppm2
4.488

ASSI {9741}

((segid “BrD” and resid 64 and name HN))

((segid “BrD” and resid 63 and name HB1))

2.600
1.700
1.700 peak
9741
weight
0.11000E+01 volume
0.57592E+03 ppm1
8.585
ppm2
2.902

ASSI {9931}

((segid “BrD” and resid 62 and name HN))

((segid “BrD” and resid 62 and name HB2))

2.900
2.100
2.100 peak
9931
weight
0.11000E+01 volume
0.30063E+03 ppm1
8.998
ppm2
1.683

ASSI {9941}

((segid “BrD” and resid 62 and name HN))

((segid “BrD” and resid 62 and name HG2))

3.700
3.400
1.800 peak
9941
weight
0.11000E+01 volume
0.71463E+02 ppm1
8.998
ppm2
1.484

ASSI {9961}

((segid “BrD” and resid 12 and name HN))

((segid “BrD” and resid 11 and name HD1))

2.800
2.000
2.000 peak
9961
weight
0.11000E+01 volume
0.35721E+03 ppm1
9.021
ppm2
4.473

ASSI {10011}

((segid “BrD” and resid 25 and name HN))

((segid “BrD” and resid 22 and name HA))

3.300
2.700
2.200 peak
10011
weight
0.11000E+01 volume
0.14084E+03 ppm1
9.133
ppm2
4.697

ASSI {10041}

((segid “BrD” and resid 24 and name HN))

((segid “BrD” and resid 23 and name HB1))

2.600
1.700
1.700 peak
10041
weight
0.11000E+01 volume
0.58902E+03 ppm1
8.655
ppm2
2.934

ASSI {10051}

((segid “BrD” and resid 24 and name HN))

(segid “BrD” and resid 21 and name HD2 %)

3.600
3.200
1.900 peak
10051
weight
0.11000E+01 volume
0.85488E+02 ppm1
8.656
ppm2
1.610

ASSI {10071}

((segid “BrD” and resid 24 and name HN))

((segid “BrD” and resid 20 and name HA))

3.800
3.600
1.700 peak
10071
weight
0.11000E+01 volume
0.60003E+02 ppm1
8.659
ppm2
4.888

ASSI {10101}

((segid “BrD” and resid 15 and name HN))

((segid “BrD” and resid 13 and name HB1))

3.500
3.100
3.000 peak
10101
weight
0.11000E+01 volume
0.10487E+03 ppm1
8.599
ppm2
2.755

ASSI {10161}

((segid “BrD” and resid 16 and name HN))

((segid “BrD” and resid 15 and name HA))

2.800
2.000
2.000 peak
10161
weight
0.11000E+01 volume
0.35770E+03 ppm1
8.796
ppm2
4.637

ASSI {10171}

((segid “BrD” and resid 16 and name HN))

(segid “BrD” and resid 15 and name HD %)

3.500
3.100
2.000 peak
10171
weight
0.11000E+01 volume
0.11249E+03 ppm1
8.792
ppm2
7.660

ASSI {10211}

((segid “BrD” and resid 75 and name HN))

((segid “BrD” and resid 73 and name HA))

3.900
3.800
1.600 peak
10211
weight
0.11000E+01 volume
0.50909E+02 ppm1
9.106
ppm2
4.820

ASSI {10271}

((segid “BrD” and resid 75 and name HN))

(segid “BrD” and resid 74 and name HD %)

3.200
2.600
2.300 peak
10271
weight
0.11000E+01 volume
0.18529E+03 ppm1
9.107
ppm2
7.007

ASSI {10321}

((segid “BrD” and resid 96 and name HN))

((segid “BrD” and resid 95 and name HB2))

2.600
1.700
1.700 peak
10321
weight
0.11000E+01 volume
0.63650E+03 ppm1
7.979
ppm2
3.345

ASSI {10341}

((segid “BrD” and resid 95 and name HN))

((segid “BrD” and resid 92 and name HA))

3.400
2.900
2.100 peak
10341
weight
0.11000E+01 volume
0.12625E+03 ppm1
8.669
ppm2
4.792

ASSI {10361}

((segid “BrD” and resid 95 and name HN))

(segid “BrD” and resid 95 and name HD %)

3.400
2.900
2.100 peak
10361
weight
0.11000E+01 volume
0.13077E+03 ppm1
8.670
ppm2
7.500

ASSI {10371}

((segid “BrD” and resid 96 and name HN))

(segid “BrD” and resid 96 and name HD %)

3.300
2.700
2.200 peak
10371
weight
0.11000E+01 volume
0.14891E+03 ppm1
7.979
ppm2
7.701

ASSI {10481}

((segid “BrD” and resid 78 and name HN))

((segid “BrD” and resid 75 and name HA))

3.100
2.400
2.400 peak
10481
weight
0.11000E+01 volume
0.20590E+03 ppm1
7.996
ppm2
4.532

ASSI {10491}

((segid “BrD” and resid 78 and name HN))

((segid “BrD” and resid 74 and name HA))

2.800
2.000
2.000 peak
10491
weight
0.11000E+01 volume
0.36339E+03 ppm1
7.996
ppm2
4.370

ASSI {10511}

((segid “BrD” and resid 54 and name HN))

((segid “BrD” and resid 53 and name HB1))

2.800
2.000
2.000 peak
10511
weight
0.11000E+01 volume
0.43885E+03 ppm1
9.037
ppm2
2.816

ASSI {10521}

((segid “BrD” and resid 54 and name HN))

(segid “BrD” and resid 50 and name HG2 %)

3.400
2.900
2.100 peak
10521
weight
0.11000E+01 volume
0.12606E+03 ppm1
9.036
ppm2
0.987

ASSI {10671}

((segid “BrD” and resid 82 and name HN))

((segid “BrD” and resid 78 and name HA))

3.900
3.800
1.600 peak
10671
weight
0.11000E+01 volume
0.53978E+02 ppm1
6.981
ppm2
4.005

ASSI {10691}

((segid “BrD” and resid 81 and name HN))

((segid “BrD” and resid 80 and name HG1))

3.600
3.200
1.900 peak
10691
weight
0.11000E+01 volume
0.91821E+02 ppm1
7.640
ppm2
2.349

ASSI {10701}

((segid “BrD” and resid 81 and name HN))

((segid “BrD” and resid 80 and name HB1))

3.700
3.400
1.800 peak
10701
weight
0.11000E+01 volume
0.72987E+02 ppm1
7.640
ppm2
2.580

ASSI {10711}

((segid “BrD” and resid 81 and name HN))

((segid “BrD” and resid 80 and name HB2))

3.700
3.400
1.800 peak
10711
weight
0.11000E+01 volume
0.72825E+02 ppm1
7.640
ppm2
2.493

ASSI {10731}

((segid “BrD” and resid 81 and name HN))

((segid “BrD” and resid 79 and name HA))

3.900
3.800
1.600 peak
10731
weight
0.11000E+01 volume
0.55498E+02 ppm1
7.640
ppm2
4.412

ASSI {10791}

((segid “BrD” and resid 80 and name HN))

(segid “BrD” and resid 78 and name HD2 %)

5.500
5.500
0.000 peak
10791
weight
0.11000E+01 volume
0.61252E+00 ppm1
8.014
ppm2
0.668

ASSI {10801}

((segid “BrD” and resid 80 and name HN))

(segid “BrD” and resid 78 and name HD1 %)

4.400
4.400
1.100 peak
10801
weight
0.11000E+01 volume
0.27938E+02 ppm1
8.014
ppm2
0.791

ASSI {10831}

((segid “BrD” and resid 79 and name HN))

((segid “BrD” and resid 78 and name HB1))

3.300
2.700
2.200 peak
10831
weight
0.11000E+01 volume
0.14525E+03 ppm1
8.680
ppm2
1.364

ASSI {10911}

((segid “BrD” and resid 86 and name HN))

((segid “BrD” and resid 83 and name HA))

3.300
2.700
2.200 peak
10911
weight
0.11000E+01 volume
0.16077E+03 ppm1
8.423
ppm2
4.445

ASSI {10951}

((segid “BrD” and resid 87 and name HN))

((segid “BrD” and resid 86 and name HD1))

3.500
3.100
2.000 peak
10951
weight
0.11000E+01 volume
0.10535E+03 ppm1
8.571
ppm2
1.898

ASSI {10961}

((segid “BrD” and resid 86 and name HN))

((segid “BrD” and resid 87 and name HN))

3.100
2.400
2.400 peak
10961
weight
0.11000E+01 volume
0.19900E+03 ppm1
8.424
ppm2
8.553

ASSI {10971}

((segid “BrD” and resid 87 and name HN))

((segid “BrD” and resid 83 and name HA))

4.200
4.200
1.300 peak
10971
weight
0.11000E+01 volume
0.36593E+02 ppm1
8.572
ppm2
4.445

ASSI {11061}

((segid “BrD” and resid 89 and name HN))

(segid “BrD” and resid 88 and name HD %)

3.200
2.600
2.300 peak
11061
weight
0.11000E+01 volume
0.19134E+03 ppm1
8.858
ppm2
7.596

ASSI {11071}

((segid “BrD” and resid 89 and name HN))

((segid “BrD” and resid 91 and name HD1))

5.300
5.300
0.200 peak
11071
weight
0.11000E+01 volume
0.89575E+01 ppm1
8.858
ppm2
4.559

ASSI {11081}

((segid “BrD” and resid 89 and name HN))

((segid “BrD” and resid 91 and name HD2))

3.800
3.600
1.700 peak
11081
weight
0.11000E+01 volume
0.66703E+02 ppm1
8.858
ppm2
4.400

ASSI {11101}

((segid “BrD” and resid 89 and name HN))

((segid “BrD” and resid 87 and name HB1))

3.800
3.600
1.700 peak
11101
weight
0.11000E+01 volume
0.67773E+02 ppm1
8.858
ppm2
2.779

ASSI {11111}

((segid “BrD” and resid 89 and name HN))

((segid “BrD” and resid 87 and name HB2))

4.200
4.200
1.300 peak
11111
weight
0.11000E+01 volume
0.36189E+02 ppm1
8.865
ppm2
2.610

ASSI {11121}

((segid “BrD” and resid 92 and name HN))

((segid “BrD” and resid 91 and name HB1))

3.200
2.600
2.300 peak
11121
weight
0.11000E+01 volume
0.16770E+03 ppm1
8.876
ppm2
3.069

ASSI {11221}

((segid “BrD” and resid 30 and name HN))

((segid “BrD” and resid 28 and name HN))

4.100
4.100
1.400 peak
11221
weight
0.11000E+01 volume
0.38088E+02 ppm1
12.275
ppm2
8.143

ASSI {11261}

((segid “BrD” and resid 31 and name HN))

((segid “BrD” and resid 29 and name HG1)

5.100
5.100
0.400 peak
11261
weight
0.11000E+01 volume
0.11011E+02 ppm1
8.486
ppm2
2.997

ASSI {11311}

((segid “BrD” and resid 31 and name HN))

(segid “BrD” and resid 102 and name HD1 %)

3.300
2.700
2.200 peak
11311
weight
0.11000E+01 volume
0.14151E+03 ppm1
8.480
ppm2
1.314

ASSI {11331}

((segid “BrD” and resid 32 and name HN))

((segid “BrD” and resid 33 and name HD1))

3.900
3.800
1.600 peak
11331
weight
0.11000E+01 volume
0.57286E+02 ppm1
7.738
ppm2
2.782

ASSI {11341}

((segid “BrD” and resid 32 and name HN))

((segid “BrD” and resid 33 and name HD2))

2.500
1.600
1.600 peak
11341
weight
0.11000E+01 volume
0.82617E+03 ppm1
7.739
ppm2
2.174

ASSI {11381}

((segid “BrD” and resid 34 and name HN))

((segid “BrD” and resid 32 and name HA))

4.200
4.200
1.300 peak
11381
weight
0.11000E+01 volume
0.36612E+02 ppm1
8.183
ppm2
4.975

ASSI {11411}

((segid “BrD” and resid 34 and name HN))

((segid “BrD” and resid 33 and name HG1))

2.600
1.700
1.700 peak
11411
weight
0.11000E+01 volume
0.60528E+03 ppm1
8.181
ppm2
2.784

ASSI {11421}

((segid “BrD” and resid 34 and name HN))

((segid “BrD” and resid 33 and name HD2))

3.300
2.700
2.200 peak
11421
weight
0.11000E+01 volume
0.15559E+03 ppm1
8.184
ppm2
2.174

ASSI {11461}

((segid “BrD” and resid 34 and name HN))

((segid “BrD” and resid 33 and name HB1))

3.500
3.100
2.000 peak
11461
weight
0.11000E+01 volume
0.11065E+03 ppm1
8.178
ppm2
1.094

ASSI {11471}

((segid “BrD” and resid 34 and name HN))

((segid “BrD” and resid 33 and name HG1))

4.100
4.100
1.400 peak
11471
weight
0.11000E+01 volume
0.41672E+02 ppm1
8.177
ppm2
0.840

ASSI {11481}

((segid “BrD” and resid 34 and name HN))

((segid “BrD” and resid 33 and name HA))

3.200
2.600
2.300 peak
11481
weight
0.11000E+01 volume
0.17351E+03 ppm1
8.182
ppm2
4.363

ASSI {11501}

((segid “BrD” and resid 36 and name HN))

((segid “BrD” and resid 35 and name HB1))

4.000
4.000
1.500 peak
11501
weight
0.11000E+01 volume
0.43329E+02 ppm1
8.308
ppm2
2.840

ASSI {11611}

((segid “BrD” and resid 67 and name HN))

((segid “BrD” and resid 65 and name HB2))

3.800
3.600
1.700 peak
11611
weight
0.11000E+01 volume
0.63235E+02 ppm1
8.832
ppm2
3.380

ASSI {11621}

((segid “BrD” and resid 67 and name HN))

((segid “BrD” and resid 66 and name HG1))

3.700
3.400
1.800 peak
11621
weight
0.11000E+01 volume
0.76792E+02 ppm1
8.832
ppm2
2.146

ASSI {11641}

((segid “BrD” and resid 68 and name HN))

((segid “BrD” and resid 66 and name HA))

2.500
1.600
1.600 peak
11641
weight
0.11000E+01 volume
0.80687E+03 ppm1
8.626
ppm2
5.012

ASSI {11681}

((segid “BrD” and resid 68 and name HN))

(segid “BrD” and resid 69 and name HG2 %)

3.400
2.900
2.100 peak
11681
weight
0.11000E+01 volume
0.13257E+03 ppm1
8.626
ppm2
1.437

ASSI {11691}

((segid “BrD” and resid 68 and name HN))

(segid “BrD” and resid 69 and name HG1 %)

3.700
3.400
1.800 peak
11691
weight
0.11000E+01 volume
0.73874E+02 ppm1
8.626
ppm2
1.562

ASSI {11721}

((segid “BrD” and resid 69 and name HN))

(segid “BrD” and resid 68 and name HD %)

3.500
3.100
2.000 peak
11721
weight
0.11000E+01 volume
0.11106E+03 ppm1
8.306
ppm2
$$.782

ASSI {11781}

((segid “BrD” and resid 70 and name HN))

((segid “BrD” and resid 68 and name HA))

3.200
2.600
2.300 peak
11781
weight
0.11000E+01 volume
0.19118E+03 ppm1
8.039
ppm2
5.135

ASSI {11791}

((segid “BrD” and resid 74 and name HN))

(segid “BrD” and resid 73 and name HD2 %)

4.400
4.400
1.100 peak
11791
weight
0.11000E+01 volume
0.24720E+02 ppm1
7.536
ppm2
1.502

ASSI {11801}

((segid “BrD” and resid 74 and name HN))

(segid “BrD” and resid 73 and name HD1 %)

4.100
4.100
1.400 peak
11801
weight
0.11000E+01 volume
0.39673E+02 ppm1
7.536
ppm2
1.531

ASSI {11811}

((segid “BrD” and resid 74 and name HN))

((segid “BrD” and resid 73 and name HG))

3.100
2.400
2.400 peak
11811
weight
0.11000E+01 volume
0.21474E+03 ppm1
7.537
ppm2
2.401

ASSI {11821}

((segid “BrD” and resid 74 and name HN))

((segid “BrD” and resid 73 and name HB2))

2.900
2.100
2.100 peak
11821
weight
0.11000E+01 volume
0.29959E+03 ppm1
7.536
ppm2
2.498

ASSI {11831}

((segid “BrD” and resid 74 and name HN))

((segid “BrD” and resid 73 and name HB1))

3.000
2.200
2.200 peak
11831
weight
0.11000E+01 volume
0.27375E+03 ppm1
7.537
ppm2
2.603

ASSI {11871}

((segid “BrD” and resid 73 and name HN))

(segid “BrD” and resid 76 and name HB %)

3.300
2.700
2.200 peak
11871
weight
0.11000E+01 volume
0.13672E+03 ppm1
8.046
ppm2
2.116

ASSI {11901}

((segid “BrD” and resid 74 and name HN))

((segid “BrD” and resid 18 and name HD1 %)

3.700
3.400
1.800 peak
11901
weight
0.11000E+01 volume
0.74433E+02 ppm1
7.536
ppm2
1.076

ASSI {11981}

((segid “BrD” and resid 98 and name HN))

((segid “BrD” and resid 97 and name HB1))

2.500
1.600
1.600 peak
11981
weight
0.11000E+01 volume
0.78973E+03 ppm1
9.125
ppm2
2.698

ASSI {11991}

((segid “BrD” and resid 98 and name HN))

((segid “BrD” and resid 97 and name HG1))

3.100
2.400
2.400 peak
11991
weight
0.11000E+01 volume
0.20137E+03 ppm1
9.125
ppm2
2.426

ASSI {12001}

((segid “BrD” and resid 98 and name HN))

((segid “BrD” and resid 97 and name HG2))

3.100
2.400
2.400 peak
12001
weight
0.11000E+01 volume
0.20070E+03 ppm1
9.124
ppm2
2.189

ASSI {12171}

((segid “BrD” and resid 101 and name HN))

((segid “BrD” and resid 99 and name HA))

4.000
4.000
1.500 peak
12171
weight
0.11000E+01 volume
0.46069E+02 ppm1
8.513
ppm2
4.447

ASSI {12181}

((segid “BrD” and resid 101 and name HN))

((segid “BrD” and resid 97 and name HA))

3.100
2.400
2.400 peak
12181
weight
0.11000E+01 volume
0.20943E+03 ppm1
8.513
ppm2
4.811

ASSI {12191}

((segid “BrD” and resid 103 and name HN))

((segid “BrD” and resid 102 and name HB1))

2.800
2.000
2.000 peak
12191
weight
0.11000E+01 volume
0.37773E+03 ppm1
8.696
ppm2
2.012

ASSI {12201}

((segid “BrD” and resid 104 and name HN))

((segid “BrD” and resid 100 and name HA))

3.200
2.600
2.300 peak
12201
weight
0.11000E+01 volume
0.18477E+03 ppm1
7.763
ppm2
4.936

ASSI {12231}

((segid “BrD” and resid 107 and name HN))

((segid “BrD” and resid 104 and name HA))

3.000
2.200
2.200 peak
12231
weight
0.11000E+01 volume
0.26295E+03 ppm1
8.981
ppm2
4.682

ASSI {12321}

((segid “BrD” and resid 110 and name HN))

((segid “BrD” and resid 109 and name HD1))

3.500
3.100
2.000 peak
12321
weight
0.11000E+01 volume
0.10959E+03 ppm1
8.714
ppm2
2.010

ASSI {12331}

((segid “BrD” and resid 110 and name HN))

((segid “BrD” and resid 109 and name HB1))

2.700
1.800
1.800 peak
12331
weight
0.11000E+01 volume
0.48783E+03 ppm1
8.714
ppm2
2.337

ASSI {12341}

((segid “BrD” and resid 110 and name HN))

((segid “BrD” and resid 109 and name HG1))

3.000
2.200
2.200 peak
12341
weight
0.11000E+01 volume
0.26294E+03 ppm1
8.714
ppm2
1.440

ASSI {12351}

((segid “BrD” and resid 111 and name HN))

((segid “BrD” and resid 110 and name HG12))

3.000
2.200
2.200 peak
12351
weight
0.11000E+01 volume
0.27526E+03 ppm1
8.168
ppm2
1.680

ASSI {12361}

((segid “BrD” and resid 112 and name HN))

((segid “BrD” and resid 111 and name HG2))

3.200
2.600
2.300 peak
12361
weight
0.11000E+01 volume
0.16739E+03 ppm1
8.668
ppm2
1.909

ASSI {12371}

((segid “BrD” and resid 113 and name HN))

((segid “BrD” and resid 110 and name HA))

3.600
3.200
1.900 peak
12371
weight
0.11000E+01 volume
0.80563E+02 ppm1
8.217
ppm2
4.425

ASSI {12381}

((segid “BrD” and resid 113 and name HN))

((segid “BrD” and resid 111 and name HB1))

3.900
3.800
1.600 peak
12381
weight
0.11000E+01 volume
0.57596E+02 ppm1
8.219
ppm2
2.486

ASSI {12391}

((segid “BrD” and resid 111 and name HN))

((segid “BrD” and resid 111 and name HB2))

3.800
3.600
1.700 peak
12391
weight
0.11000E+01 volume
0.67480E+02 ppm1
8.218
ppm2
2.364

ASSI {12531}

((segid “BrD” and resid 48 and name HN))

((segid “BrD” and resid 47 and name HB1))

4.300
4.300
1.200 peak
12531
weight
0.11000E+01 volume
0.28319E+02 ppm1
8.307
ppm2
3.796

ASSI {12541}

((segid “BrD” and resid 48 and name HN))

((segid “BrD” and resid 46 and name HA))

4.000
4.000
1.500 peak
12541
weight
0.11000E+01 volume
0.44246E+02 ppm1
8.307
ppm2
4.152

ASSI {12551}

((segid “BrD” and resid 48 and name HN))

((segid “BrD” and resid 47 and name HB2))

4.200
4.200
1.300 peak
12551
weight
0.11000E+01 volume
0.35395E+02 ppm1
8.307
ppm2
3.406

ASSI {12561}

((segid “BrD” and resid 47 and name HN))

(segid “BrD” and resid 46 and name HD %)

3.500
3.100
2.000 peak
12561
weight
0.11000E+01 volume
0.10097E+03 ppm1
8.832
ppm2
5.727

ASSI {12571}

((segid “BrD” and resid 47 and name HN))

(segid “BrD” and resid 47 and name HD %)

3.100
2.400
2.400 peak
12571
weight
0.11000E+01 volume
0.23274E+03 ppm1
8.833
ppm2
7.944

ASSI {12631}

((segid “BrD” and resid 51 and name HN))

((segid “BrD” and resid 50 and name HA))

2.600
1.700
1.700 peak
12631
weight
0.11000E+01 volume
0.65616E+03 ppm1
8.377
ppm2
4.523

ASSI {12641}

((segid “BrD” and resid 52 and name HN))

((segid “BrD” and resid 51 and name HB1))

3.400
2.900
2.100 peak
12641
weight
0.11000E+01 volume
0.11270E+03 ppm1
9.003
ppm2
1.995

ASSI {12651}

((segid “BrD” and resid 52 and name HN))

((segid “BrD” and resid 51 and name HG1))

5.500
5.500
0.000 peak
12651
weight
0.11000E+01 volume
0.88686E+00 ppm1
9.003
ppm2
1.926

ASSI {12661}

((segid “BrD” and resid 52 and name HN))

((segid “BrD” and resid 51 and name HG2))

3.400
2.900
2.100 peak
12661
weight
0.11000E+01 volume
0.11315E+03 ppm1
9.003
ppm2
1.780

ASSI {12671}

((segid “BrD” and resid 52 and name HN))

((segid “BrD” and resid 51 and name HB2))

3.200
2.600
2.300 peak
12671
weight
0.11000E+01 volume
0.16847E+03 ppm1
9.004
ppm2
1.818

ASSI {12681}

((segid “BrD” and resid 52 and name HN))

(segid “BrD” and resid 50 and name HG2 %)

2.800
2.000
2.000 peak
12681
weight
0.11000E+01 volume
0.38955E+03 ppm1
9.002
ppm2
0.991

ASSI {12731}

((segid “BrD” and resid 42 and name HN))

((segid “BrD” and resid 41 and name HA))

3.400
2.900
2.100 peak
12731
weight
0.11000E+01 volume
0.12554E+03 ppm1
7.822
ppm2
4.650

ASSI {12771}

((segid “BrD” and resid 42 and name HN))

(segid “BrD” and resid 41 and name HG2 %)

4.200
4.200
1.300 peak
12771
weight
0.11000E+01 volume
0.34295E+02 ppm1
7.821
ppm2
1.874

ASSI {12781}

((segid “BrD” and resid 97 and name HN))

(segid “BrD” and resid 96 and name HD %)

3.300
2.700
2.200 peak
12781
weight
0.11000E+01 volume
0.13710E+03 ppm1
8.674
ppm2
7.701

ASSI {12791}

((segid “BrD” and resid 20 and name HN))

((segid “BrD” and resid 19 and name HG1))

3.400
2.900
2.100 peak
12791
weight
0.11000E+01 volume
0.11346E+03 ppm1
8.146
ppm2
1.687

ASSI {12801}

((segid “BrD” and resid 19 and name HN))

((segid “BrD” and resid 18 and name HB2))

3.400
2.900
2.100 peak
12801
weight
0.11000E+01 volume
0.11595E+03 ppm1
9.186
ppm2
0.901

ASSI {12811}

((segid “BrD” and resid 19 and name HN))

(segid “BrD” and resid 63 and name HD1 %)

3.100
2.400
2.400 peak
12811
weight
0.11000E+01 volume
0.22952E+03 ppm1
9.186
ppm2
1.642

ASSI {12821}

((segid “BrD” and resid 19 and name HN))

(segid “BrD” and resid 63 and name HD2 %)

3.000
2.200
2.200 peak
12821
weight
0.11000E+01 volume
0.27823E+03 ppm1
9.187
ppm2
1.476

ASSI {12831}

((segid “BrD” and resid 19 and name HN))

((segid “BrD” and resid 16 and name HA))

3.000
2.200
2.200 peak
12831
weight
0.11000E+01 volume
0.27123E+03 ppm1
9.187
ppm2
4.516

ASSI {12871}

((segid “BrD” and resid 20 and name HN))

((segid “BrD” and resid 18 and name HG))

3.800
3.600
1.700 peak
12871
weight
0.11000E+01 volume
0.64336E+02 ppm1
8.247
ppm2
2.290

ASSI {12931}

((segid “BrD” and resid 23 and name HN))

((segid “BrD” and resid 22 and name HB1))

2.600
1.700
1.700 peak
12931
weight
0.11000E+01 volume
0.65708E+03 ppm1
9.120
ppm2
2.697

ASSI {12941}

((segid “BrD” and resid 23 and name HN))

((segid “BrD” and resid 22 and name HB2))

2.800
2.000
2.000 peak
12941
weight
0.11000E+01 volume
0.39331E+03 ppm1
9.122
ppm2
2.310

ASSI {13051}

((segid “BrD” and resid 27 and name HN))

((segid “BrD” and resid 26 and name HD1))

2.700
1.800
1.800 peak
13051
weight
0.11000E+01 volume
0.47384E+03 ppm1
8.168
ppm2
2.127

ASSI {13071}

((segid “BrD” and resid 27 and name HN))

((segid “BrD” and resid 24 and name HG1))

3.500
3.100
2.000 peak
13071
weight
0.11000E+01 volume
0.10804E+03 ppm1
8.170
ppm2
3.447

ASSI {13081}

((segid “BrD” and resid 27 and name HN))

((segid “BrD” and resid 24 and name HG2))

3.700
3.400
1.800 peak
13081
weight
0.11000E+01 volume
0.74378E+02 ppm1
8.170
ppm2
3.074

ASSI {13141}

((segid “BrD” and resid 60 and name HN))

(segid “BrD” and resid 59 and name HB2))

2.900
2.100
2.100 peak
13141
weight
0.11000E+01 volume
0.32659E+03 ppm1
8.565
ppm2
2.522

ASSI {13151}

((segid “BrD” and resid 65 and name HN))

((segid “BrD” and resid 64 and name HG1))

3.300
2.700
2.200 peak
13151
weight
0.11000E+01 volume
0.34156E+03 ppm1
8.565
ppm2
2.203

ASSI {13211}

((segid “BrD” and resid 15 and name HN))

((segid “BrD” and resid 14 and name HG))

3.700
3.400
1.800 peak
13211
weight
0.11000E+01 volume
0.73008E+02 ppm1
8.597
ppm2
2.087

ASSI {13281}

(segid “BrD” and resid 65 and name HD2 %)

((segid “BrD” and resid 64 and name HB1))

3.600
3.200
1.900 peak
13281
weight
0.11000E+01 volume
0.89819E+02 ppm1
8.205
ppm2
2.662

ASSI {13291}

((segid “BrD” and resid 65 and name HD22))

((segid “BrD” and resid 64 and name HB1))

3.600
3.200
1.900 peak
13291
weight
0.11000E+01 volume
0.84418E+02 ppm1
7.576
ppm2
2.662

ASSI {13321}

((segid “BrD” and resid 93 and name HN))

((segid “BrD” and resid 93 and name HB1))

4.100
4.100
1.400 peak
13321
weight
0.11000E+01 volume
0.42284E+02 ppm1
8.713
ppm2
5.009

ASSI {13331}

((segid “BrD” and resid 94 and name HN))

((segid “BrD” and resid 93 and name HB1))

3.700
3.400
1.800 peak
13331
weight
0.11000E+01 volume
0.78957E+02 ppm1
9.679
ppm2
5.000

ASSI {13341}

((segid “BrD” and resid 17 and name HN))

((segid “BrD” and resid 16 and name HB1))

3.400
2.900
2.100 peak
13341
weight
0.11000E+01 volume
0.11732E+03 ppm1
8.670
ppm2
4.602

ASSI {13351}

((segid “BrD” and resid 62 and name HN))

((segid “BrD” and resid 62 and name HD2))

2.700
1.800
1.800 peak
13351
weight
0.11000E+01 volume
0.44005E+03 ppm1
8.998
ppm2
2.658

ASSI {13361}

((segid “BrD” and resid 86 and name HN))

((segid “BrD” and resid 86 and name HG1))

4.100
4.100
1.400 peak
13361
weight
0.11000E+01 volume
0.42972E+02 ppm1
8.423
ppm2
1.920

ASSI {13371}

((segid “BrD” and resid 17 and name HN))

((segid “BrD” and resid 14 and name HA))

2.600
1.700
1.700 peak
13371
weight
0.11000E+01 volume
0.66944E+03 ppm1
8.670
ppm2
4.652

ASSI {13381}

((segid “BrD” and resid 18 and name HN))

((segid “BrD” and resid 15 and name HA))

3.800
3.600
1.700 peak
13381
weight
0.11000E+01 volume
0.66429E+02 ppm1
9.073
ppm2
8.620

ASSI {13391}

((segid “BrD” and resid 19 and name HN))

((segid “BrD” and resid 18 and name HN))

2.300
1.300
1.300 peak
13391
weight
0.11000E+01 volume
0.12618E+04 ppm1
9.186
ppm2
9.067

ASSI {13401}

((segid “BrD” and resid 59 and name HN))

((segid “BrD” and resid 56 and name HA))

3.100
2.400
2.400 peak
13401
weight
0.11000E+01 volume
0.22047E+03 ppm1
8.498
ppm2
4.643

ASSI {13421}

((segid “BrD” and resid 79 and name HN))

((segid “BrD” and resid 75 and name HA))

4.000
4.000
1.500 peak
13421
weight
0.11000E+01 volume
0.47743E+02 ppm1
8.680
ppm2
4.518

ASSI {13431}

((segid “BrD” and resid 81 and name HN))

((segid “BrD” and resid 77 and name HA))

4.500
4.500
1.000 peak
13431
weight
0.11000E+01 volume
0.23511E+02 ppm1
7.639
ppm2
4.978

ASSI {13441}

((segid “BrD” and resid 85 and name HN))

((segid “BrD” and resid 83 and name HA))

3.600
3.200
1.900 peak
13441
weight
0.11000E+01 volume
0.85635E+02 ppm1
7.519
ppm2
4.441

ASSI {13451}

((segid “BrD” and resid 85 and name HN))

((segid “BrD” and resid 81 and name HA))

2.500
1.600
1.600 peak
13451
weight
0.11000E+01 volume
0.75325E+03 ppm1
7.517
ppm2
3.646

ASSI {13461}

((segid “BrD” and resid 88 and name HN))

((segid “BrD” and resid 84 and name HA))

2.800
2.000
2.000 peak
13461
weight
0.11000E+01 volume
0.40309E+03 ppm1
8.357
ppm2
4.922

ASSI {13481}

((segid “BrD” and resid 81 and name HN))

((segid “BrD” and resid 83 and name HN))

3.900
3.800
1.600 peak
13481
weight
0.11000E+01 volume
0.50469E+02 ppm1
7.640
ppm2
9.655

ASSI {13491}

((segid “BrD” and resid 96 and name HN))

((segid “BrD” and resid 93 and name HA))

3.700
3.400
1.800 peak
13491
weight
0.11000E+01 volume
0.70852E+02 ppm1
7.981
ppm2
5.013

ASSI {13501}

((segid “BrD” and resid 109 and name HN))

((segid “BrD” and resid 105 and name HA))

4.600
4.600
0.900 peak
13501
weight
0.11000E+01 volume
0.18885E+02 ppm1
8.574
ppm2
4.935

ASSI {13511}

((segid “BrD” and resid 110 and name HN))

((segid “BrD” and resid 108 and name HA))

3.500
3.100
2.000 peak
13511
weight
0.11000E+01 volume
0.11146E+03 ppm1
8.714
ppm2
4.816

ASSI {13521}

((segid “BrD” and resid 92 and name HN))

((segid “BrD” and resid 91 and name HA))

3.200
2.600
2.300 peak
13521
weight
0.11000E+01 volume
0164567E+03 ppm1
8.873
ppm2
5.343

ASSI {13541}

((segid “BrD” and resid 98 and name HN))

((segid “BrD” and resid 100 and name HN))

2.900
2.100
2.100 peak
13541
weight
0.11000E+01 volume
0.30894E+03 ppm1
9.125
ppm2
8.653

ASSI {13551}

((segid “BrD” and resid 103 and name HN))

((segid “BrD” and resid 101 and name HN))

2.900
2.100
2.100 peak
13551
weight
0.11000E+01 volume
0.34725E+03 ppm1
8.696
ppm2
8.519

ASSI {13561}

((segid “BrD” and resid 32 and name HN))

((segid “BrD” and resid 30 and name HA))

4.400
4.400
1.100 peak
13561
weight
0.11000E+01 volume
0.25941E+02 ppm1
7.739
ppm2
5.445

ASSI {13571}

((segid “BrD” and resid 24 and name HN))

((segid “BrD” and resid 23 and name HB2))

2.800
2.000
2.000 peak
13571
weight
0.11000E+01 volume
0.42825E+03 ppm1
8.655
ppm2
2.870

ASSI {13581}

((segid “BrD” and resid 73 and name HN))

((segid “BrD” and resid 75 and name HN))

4.000
4.000
1.500 peak
13581
weight
0.11000E+01 volume
0.46662E+02 ppm1
8.045
ppm2
9.084

ASSI {13591}

((segid “BrD” and resid 62 and name HN))

((segid “BrD” and resid 61 and name HG1))

3.900
3.800
1.600 peak
13591
weight
0.11000E+01 volume
0.54843E+02 ppm1
8.999
ppm2
2.952

ASSI {13611}

((segid “BrD” and resid 67 and name HN))

((segid “BrD” and resid 65 and name HB1))

2.800
2.000
2.000 peak
13611
weight
0.11000E+01 volume
0.36617E+03 ppm1
8.832
ppm2
3.626

ASSI {13621}

((segid “BrD” and resid 75 and name HN))

((segid “BrD” and resid 74 and name HB2))

3.200
2.600
2.300 peak
13621
weight
0.11000E+01 volume
0.17250E+03 ppm1
9.106
ppm2
2.988

ASSI {13641}

((segid “BrD” and resid 104 and name HN))

((segid “BrD” and resid 106 and name HN))

4.900
4.900
0.600 peak
13641
weight
0.11000E+01 volume
0.14134E+02 ppm1
7.763
ppm2
9.736

ASSI {13671}

((segid “BrD” and resid 74 and name HN))

(segid “BrD” and resid 18 and name HD2 %)

3.900
2.800
1.600 peak
13671
weight
0.11000E+01 volume
0.56031E+02 ppm1
7.545
ppm2
0.414

ASSI {13701}

((segid “BrD” and resid 61 and name HN))

((segid “BrD” and resid 61 and name HB1))

2.800
2.000
2.000 peak
13701
weight
0.11000E+01 volume
0.41690E+03 ppm1
8.743
ppm2
2.837

ASSI {13711}

((segid “BrD” and resid 62 and name HN))

((segid “BrD” and resid 61 and name HB1))

2.800
2.000
2.000 peak
13711
weight
0.11000E+01 volume
0.40898E+03 ppm1
8.990
ppm2
2.853

ASSI {13731}

((segid “BrD” and resid 25 and name HN))

((segid “BrD” and resid 21 and name HA))

2.900
2.100
2.100 peak
13731
weight
0.11000E+01 volume
0.30325+03 ppm1
9.134
ppm2
4.393

ASSI {13741}

((segid “BrD” and resid 63 and name HN))

((segid “BrD” and resid 59 and name HA))

3.200
2.600
2.300 peak
13741
weight
0.11000E+01 volume
0.16317E+03 ppm1
9.472
ppm2
4.926

ASSI {13761}

((segid “BrD” and resid 74 and name HN))

((segid “BrD” and resid 71 and name HA))

3.200
2.600
2.300 peak
13761
weight
0.11000E+01 volume
0.19208E+03 ppm1
7.536
ppm2
4.622

ASSI {13771}

((segid “BrD” and resid 75 and name HN))

((segid “BrD” and resid 71 and name HA))

3.100
2.400
2.400 peak
13771
weight
0.11000E+01 volume
0.21726E+03 ppm1
9.106
ppm2
4.628

ASSI {13781}

((segid “BrD” and resid 77 and name HN))

((segid “BrD” and resid 74 and name HA))

3.200
2.600
2.300 peak
13781
weight
0.11000E+01 volume
0.16504E+03 ppm1
7.996
ppm2
4.371

ASSI {13791}

((segid “BrD” and resid 105 and name HN))

((segid “BrD” and resid 101 and name HA))

3.200
2.600
2.300 peak
13791
weight
0.11000E+01 volume
0.19414E+03 ppm1
8.487
ppm2
4.253

ASSI {13801}

((segid “BrD” and resid 26 and name HN))

((segid “BrD” and resid 24 and name HA))

3.900
3.800
1.600 peak
13801
weight
0.11000E+01 volume
0.52793E+02 ppm1
9.196
ppm2
4.755

ASSI {13811}

((segid “BrD” and resid 26 and name HN))

((segid “BrD” and resid 25 and name HA))

3.800
3.600
1.700 peak
13811
weight
0.11000E+01 volume
0.62704E+02 ppm1
9.196
ppm2
4.415

ASSI {13821}

((segid “BrD” and resid 29 and name HN))

((segid “BrD” and resid 25 and name HA))

5.500
5.500
0.000 peak
13821
weight
0.11000E+01 volume
0.27795E+01 ppm1
9.152
ppm2
4.451

ASSI {13831}

((segid “BrD” and resid 54 and name HN))

((segid “BrD” and resid 55 and name HN))

2.900
2.100
2.100 peak
13831
weight
0.11000E+01 volume
0.31830E+03 ppm1
9.037
ppm2
7.972

ASSI {13851}

((segid “BrD” and resid 48 and name HN))

(segid “BrD” and resid 47 and name HD %)

3.900
3.800
1.600 peak
13851
weight
0.11000E+01 volume
0.57580E+02 ppm1
8.307
ppm2
7.949

ASSI {13861}

((segid “BrD” and resid 96 and name HN))

(segid “BrD” and resid 95 and name HD %)

3.500
3.100
2.000 peak
13861
weight
0.11000E+01 volume
0.10869E+03 ppm1
7.979
ppm2
7.498

ASSI {14011}

((segid “BrD” and resid 108 and name HN))

(segid “BrD” and resid 107 and name HD %)

4.300
4.300
1.200 peak
14011
weight
0.11000E+01 volume
0.30492E+02 ppm1
8.526
ppm2
7.782

ASSI {14881}

((segid “BrD” and resid 54 and name HN))

((segid “BrD” and resid 54 and name HG1))

4.500
4.500
1.000 peak
14881
weight
0.11000E+01 volume
0.23600E+02 ppm1
9.038
ppm2
3.297

ASSI {15591}

((segid “BrD” and resid 32 and name HE1))

((segid “BrD” and resid 32 and name HB2))

4.000
4.000
1.500 peak
15591
weight
0.11000E+01 volume
0.47456E+02 ppm1
11.081
ppm2
3.958

ASSI {15601}

((segid “BrD” and resid 32 and name HE1))

((segid “BrD” and resid 32 and name HB1))

5.200
5.200
0.300 peak
15601
weight
0.11000E+01 volume
0.94290E+01 ppm1
11.081
ppm2
4.201

ASSI {111}

((segid “BrD” and resid 99 and name HN))

((segid “BrD” and resid 34 and name HZ))

3.100
2.400
2.400 peak
111
weight
0.10000E+01 volume
0.20460E+03 ppm1
8.936
ppm2
7.899

ASSI {801}

((segid “BrD” and resid 97 and name HN))

((segid “BrD” and resid 97 and name HE1))

4.000
4.000
1.500 peak
801
weight
0.10000E+01 volume
0.47904E+02 ppm1
8.673
ppm2
3.572

ASSI {931}

((segid “BrD” and resid 117 and name HN))

((segid “BrD” and resid 116 and name HN))

3.600
3.100
2.000 peak
931
weight
0.10000E+01 volume
0.10704E+03 ppm1
8.883
ppm2
8.075

ASSI {1891}

((segid “BrD” and resid 83 and name HN))

((segid “BrD” and resid 85 and name HN))

4.000
4.000
1.500 peak
1891
weight
0.10000E+01 volume
0.44105E+02 ppm1
9.660
ppm2
7.505

ASSI {2331}

((segid “BrD” and resid 49 and name HN))

((segid “BrD” and resid 50 and name HA))

4.000
4.000
1.500 peak
2331
weight
0.10000E+01 volume
0.49544E+02 ppm1
7.761
ppm2
4.525

ASSI {2631}

((segid “BrD” and resid 103 and name HN))

(segid “BrD” and resid 82 and name HD %)

3.800
3.600
1.700 peak
2631
weight
0.10000E+01 volume
0.64814E+02 ppm1
8.695
ppm2
7.246

ASSI {3601}

((segid “BrD” and resid 9 and name HN))

((segid “BrD” and resid 9 and name HA))

2.900
2.100
2.100 peak
3601
weight
0.10000E+01 volume
0.32855E+03 ppm1
9.052
ppm2
4.936

ASSI {3751}

((segid “BrD” and resid 56 and name HN))

((segid “BrD” and resid 35 and name HA))

3.200
2.600
2.300 peak
3751
weight
0.10000E+01 volume
0.18743E+03 ppm1
9.678
ppm2
4.895

ASSI {4371}

((segid “BrD” and resid 40 and name HN))

((segid “BrD” and resid 42 and name HA))

3.400
2.900
2.100 peak
4371
weight
0.10000E+01 volume
0.12104E+03 ppm1
8.662
ppm2
5.021

ASSI {4671}

((segid “BrD” and resid 61 and name HN))

((segid “BrD” and resid 60 and name HB1))

2.900
2.100
2.100 peak
4671
weight
0.10000E+01 volume
0.31176E+03 ppm1
8.746
ppm2
4.992

ASSI {5081}

((segid “BrD” and resid 73 and name HN))

((segid “BrD” and resid 74 and name HB2))

3.100
2.400
2.400 peak
5081
weight
0.10000E+01 volume
0.21337E+03 ppm1
8.007
ppm2
3.018

ASSI {7641}

((segid “BrD” and resid 76 and name HN))

((segid “BrD” and resid 73 and name HA))

3.500
3.100
2.000 peak
7641
weight
0.10000E+01 volume
0.97995E+02 ppm1
8.611
ppm2
4.812

ASSI {7691}

((segid “BrD” and resid 83 and name HN))

((segid “BrD” and resid 80 and name HA))

2.800
2.000
2.000 peak
7691
weight
0.10000E+01 volume
0.35765E+03 ppm1
9.660
ppm2
4.675

ASSI {8061}

((segid “BrD” and resid 39 and name HN))

((segid “BrD” and resid 38 and name HN))

4.300
4.300
1.200 peak
8061
weight
0.10000E+01 volume
0.29321E+02 ppm1
9.651
ppm2
8.726

ASSI {8071}

((segid “BrD” and resid 39 and name HN))

((segid “BrD” and resid 42 and name HG1))

4.100
4.100
1.400 peak
8071
weight
0.10000E+01 volume
0.37403E+02 ppm1
9.657
ppm2
2.891

ASSI {8081}

((segid “BrD” and resid 39 and name HN))

((segid “BrD” and resid 42 and name HB1))

3.900
3.600
1.600 peak
8081
weight
0.10000E+01 volume
0.55108E+02 ppm1
9.658
ppm2
2.784

ASSI {8091}

((segid “BrD” and resid 39 and name HN))

((segid “BrD” and resid 42 and name HB2))

4.200
4.200
1.300 peak
8091
weight
0.10000E+01 volume
0.33585E+02 ppm1
9.651
ppm2
2.607

ASSI {8141}

((segid “BrD” and resid 57 and name HN))

((segid “BrD” and resid 36 and name HA))

3.100
2.400
2.400 peak
8141
weight
0.10000E+01 volume
0.21622E+03 ppm1
9.359
ppm2
5.440

ASSI {8151}

((segid “BrD” and resid 57 and name HN))

((segid “BrD” and resid 58 and name HA))

4.100
4.100
1.400 peak
8151
weight
0.10000E+01 volume
0.38316E+02 ppm1
9.359
ppm2
4.453

ASSI {8161}

((segid “BrD” and resid 57 and name HN))

((segid “BrD” and resid 37 and name HD1))

3.700
3.400
1.800 peak
8161
weight
0.10000E+01 volume
0.78885E+02 ppm1
9.359
ppm2
4.288

ASSI {8221}

((segid “BrD” and resid 114 and name HN))

((segid “BrD” and resid 115 and name HG))

3.800
3.600
1.700 peak
8221
weight
0.10000E+01 volume
0.68239E+02 ppm1
8.377
ppm2
2.169

OR {8221}

((segid “BrD” and resid 114 and name HN))

((segid “BrD” and resid 115 and name HB1))

ASSI {8231}

((segid “BrD” and resid 114 and name HN))

(segid “BrD” and resid 115 and name HD1 %)

3.700
3.400
1.800 peak
8231
weight
0.10000E+01 volume
0.72638E+02 ppm1
8.375
ppm2
1.308

ASSI {8271}

((segid “BrD” and resid 28 and name HN))

(segid “BrD” and resid 31 and name HB %)

3.400
2.900
2.100 peak
8271
weight
0.10000E+01 volume
0.12341E+03 ppm1
8.166
ppm2
2.308

ASSI {8281}

((segid “BrD” and resid 28 and name HN))

((segid “BrD” and resid 26 and name HB1))

3.700
3.400
1.800 peak
8281
weight
0.10000E+01 volume
0.69844E+02 ppm1
8.166
ppm2
2.476

ASSI {8301}

((segid “BrD” and resid 28 and name HN))

(segid “BrD” and resid 102 and name HD1 %)

3.400
2.900
2.100 peak
8301
weight
0.10000E+01 volume
0.11542E+03 ppm1
8.166
ppm2
1.318

ASSI {8311}

((segid “BrD” and resid 118 and name HN))

((segid “BrD” and resid 116 and name HG12))

3.200
2.600
2.300 peak
8311
weight
0.10000E+01 volume
0.19156E+03 ppm1
8.381
ppm2
1.558

ASSI {8321}

((segid “BrD” and resid 118 and name HN))

(segid “BrD” and resid 116 and name HD1 %)

4.100
4.100
1.400 peak
8321
weight
0.10000E+01 volume
0.39844E+02 ppm1
8.380
ppm2
1.394

OR {8321}

((segid “BrD” and resid 118 and name HN))

(segid “BrD” and resid 116 and name HG2 %)

ASSI {8331}

((segid “BrD” and resid 118 and name HN))

(segid “BrD” and resid 110 and name HG2 %)

3.400
2.900
2.100 peak
8331
weight
0.10000E+01 volume
0.11494E+03 ppm1
8.381
ppm2
1.296

ASSI {8341}

((segid “BrD” and resid 51 and name HN))

(segid “BrD” and resid 50 and name HD1 %)

4.000
4.000
1.500 peak
8341
weight
0.10000E+01 volume
0.45762E+02 ppm1
8.381
ppm2
1.156

ASSI {8401}

((segid “BrD” and resid 38 and name HN))

((segid “BrD” and resid 37 and name HB2))

3.000
2.200
2.200 peak
8401
weight
0.10000E+01 volume
0.24692E+03 ppm1
8.733
ppm2
2.290

ASSI {8411}

((segid “BrD” and resid 117 and name HN))

((segid “BrD” and resid 118 and name HN))

3.900
3.800
1.600 peak
8411
weight
0.10000E+01 volume
0.55844E+02 ppm1
8.880
ppm2
8.368

ASSI {8421}

((segid “BrD” and resid 117 and name HN))

((segid “BrD” and resid 116 and name HG11))

3.900
3.800
1.600 peak
8421
weight
0.10000E+01 volume
0.57435E+02 ppm1
8.876
ppm2
1.915

ASSI {8441}

((segid “BrD” and resid 7 and name HN))

((segid “BrD” and resid 6 and name HD1))

3.800
3.600
1.700 peak
8441
weight
0.10000E+01 volume
0.67409E+02 ppm1
8.923
ppm2
2.338

ASSI {8451}

((segid “BrD” and resid 102 and name HN))

((segid “BrD” and resid 28 and name HE1))

3.900
3.800
1.600 peak
8451
weight
0.10000E+01 volume
0.51665E+02 ppm1
9.156
ppm2
8.153

ASSI {8461}

((segid “BrD” and resid 102 and name HN))

(segid “BrD” and resid 82 and name HE %)

4.100
4.100
1.400 peak
8461
weight
0.10000E+01 volume
0.42485E+02 ppm1
9.156
ppm2
7.050

OR {8461}

((segid “BrD” and resid 102 and name HN))

((segid “BrD” and resid 82 and name HZ))

ASSI {8481}

((segid “BrD” and resid 102 and name HN))

((segid “BrD” and resid 103 and name HB1))

3.600
3.200
1.900 peak
8481
weight
0.10000E+01 volume
0.86913E+02 ppm1
9.156
ppm2
2.348

ASSI {8501}

((segid “BrD” and resid 50 and name HN))

((segid “BrD” and resid 48 and name HA))

5.100
5.100
0.400 peak
8501
weight
0.10000E+01 volume
0.11267E+02 ppm1
8.564
ppm2
4.822

ASSI {8551}

((segid “BrD” and resid 46 and name HN))

((segid “BrD” and resid 44 and name HA))

4.000
4.000
1.500 peak
8551
weight
0.10000E+01 volume
0.43724E+02 ppm1
8.562
ppm2
5.119

ASSI {8581}

((segid “BrD” and resid 46 and name HN))

(segid “BrD” and resid 43 and name HB %)

2.800
2.000
2.000 peak
8581
weight
0.10000E+01 volume
0.40920E+03 ppm1
8.562
ppm2
1.692

ASSI {8601}

((segid “BrD” and resid 43 and name HN))

((segid “BrD” and resid 39 and name HB1))

4.100
4.100
1.400 peak
8601
weight
0.10000E+01 volume
0.39702E+02 ppm1
8.001
ppm2
2.497

ASSI {8611}

((segid “BrD” and resid 43 and name HN))

((segid “BrD” and resid 39 and name HD1))

3.500
3.100
2.000 peak
8611
weight
0.10000E+01 volume
0.96093E+02 ppm1
8.001
ppm2
2.292

ASSI {8621}

((segid “BrD” and resid 43 and name HN))

(segid “BrD” and resid 41 and name HG2 %)

4.200
4.200
1.300 peak
8621
weight
0.10000E+01 volume
0.33897E+02 ppm1
8.001
ppm2
1.887

ASSI {8631}

((segid “BrD” and resid 43 and name HN))

(segid “BrD” and resid 38 and name HG1 %)

4.300
4.300
1.200 peak
8631
weight
0.10000E+01 volume
0.32108E+02 ppm1
8.002
ppm2
1.058

ASSI {8641}

((segid “BrD” and resid 43 and name HN))

(segid “BrD” and resid 38 and name HG2 %)

3.900
3.800
1.600 peak
8641
weight
0.10000E+01 volume
0.57231E+02 ppm1
8.001
ppm2
0.778

ASSI {8661}

((segid “BrD” and resid 111 and name HN))

((segid “BrD” and resid 112 and name HB1))

3.800
3.600
1.700 peak
8661
weight
0.10000E+01 volume
0.66898E+02 ppm1
8.167
ppm2
2.659

ASSI {8681}

((segid “BrD” and resid 111 and name HN))

(segid “BrD” and resid 110 and name HG2 %)

3.000
2.200
2.200 peak
8681
weight
0.10000E+01 volume
0.28506E+03 ppm1
8.169
ppm2
1.250

ASSI {8691}

((segid “BrD” and resid 111 and name HN))

(segid “BrD” and resid 116 and name HD1 %)

3.400
2.900
2.100 peak
8691
weight
0.10000E+01 volume
0.11425E+03 ppm1
8.168
ppm2
1.396

ASSI {8711}

((segid “BrD” and resid 58 and name HN))

((segid “BrD” and resid 37 and name HD1))

3.700
3.400
1.800 peak
8711
weight
0.10000E+01 volume
0.73156E+02 ppm1
10.051
ppm2
4.255

ASSI {8721}

((segid “BrD” and resid 58 and name HN))

((segid “BrD” and resid 59 and name HG2))

5.500
5.500
0.000 peak
8721
weight
0.10000E+01 volume
0.48442E+00 ppm1
10.051
ppm2
3.087

ASSI {8801}

((segid “BrD” and resid 58 and name HN))

(segid “BrD” and resid 54 and name HE %)

4.600
4.600
0.900 peak
8801
weight
0.10000E+01 volume
0.21191E+02 ppm1
10.050
ppm2
2.534

ASSI {8971}

((segid “BrD” and resid 112 and name HN))

(segid “BrD” and resid 110 and name HG2 %)

3.600
3.600
1.700 peak
8971
weight
0.10000E+01 volume
0.60828E+02 ppm1
8.669
ppm2
1.263

ASSI {8991}

((segid “BrD” and resid 105 and name HN))

((segid “BrD” and resid 106 and name HB1))

3.500
3.100
2.000 peak
8991
weight
0.10000E+01 volume
0.10888E+03 ppm1
8.487
ppm2
3.870

ASSI {9041}

((segid “BrD” and resid 105 and name HN))

(segid “BrD” and resid 102 and name HD2 %)

3.700
3.400
1.800 peak
9041
weight
0.10000E+01 volume
0.76403E+02 ppm1
8.486
ppm2
1.320

OR {9041}

((segid “BrD” and resid 105 and name HN))

(segid “BrD” and resid 102 and name HD1 %)

ASSI {9051}

((segid “BrD” and resid 105 and name HN))

(segid “BrD” and resid 101 and name HG2 %)

3.900
3.800
1.600 peak
9051
weight
0.10000E+01 volume
0.50603E+02 ppm1
8.486
ppm2
1.602

ASSI {9131}

((segid “BrD” and resid 21 and name HN))

((segid “BrD” and resid 21 and name HG12))

3.200
2.600
2.300 peak
9131
weight
0.10000E+01 volume
0.17190E+03 ppm1
8.574
ppm2
1.620

OR {9131}

((segid “BrD” and resid 21 and name HN))

(segid “BrD” and resid 21 and name HG2 %)

ASSI {9211}

((segid “BrD” and resid 106 and name HN))

(segid “BrD” and resid 102 and name HD2 %)

3.800
3.600
1.700 peak
9211
weight
0.10000E+01 volume
0.58744E+02 ppm1
9.740
ppm2
1.314

ASSI {9221}

((segid “BrD” and resid 106 and name HN))

(segid “BrD” and resid 82 and name HE %)

4.600
4.600
0.900 peak
9221
weight
0.10000E+01 volume
0.19539E+02 ppm1
9.740
ppm2
7.033

OR {9221}

((segid “BrD” and resid 106 and name HN))

((segid “BrD” and resid 82 and name HZ))

ASSI {9231}

((segid “BrD” and resid 84 and name HN))

((segid “BrD” and resid 80 and name HA))

2.400
1.400
1.400 peak
9231
weight
0.10000E+01 volume
0.97923E+03 ppm1
9.464
ppm2
4.674

ASSI {9261}

((segid “BrD” and resid 84 and name HN))

(segid “BrD” and resid 50 and name HD1 %)

4.700
4.700
0.800 peak
9261
weight
0.10000E+01 volume
0.17291E+02 ppm1
9.463
ppm2
1.136

ASSI {9271}

((segid “BrD” and resid 84 and name HN))

(segid “BrD” and resid 50 and name HG2 %)

4.800
4.800
0.700 peak
9271
weight
0.10000E+01 volume
0.16063E+02 ppm1
9.464
ppm2
0.994

ASSI {9381}

((segid “BrD” and resid 63 and name HN))

((segid “BrD” and resid 63 and name HB1))

2.800
2.000
2.000 peak
9381
weight
0.10000E+01 volume
0.41354E+03 ppm1
9.456
ppm2
2.904

ASSI {9411}

((segid “BrD” and resid 22 and name HN))

(segid “BrD” and resid 25 and name HG1 %)

3.600
3.200
1.900 peak
9411
weight
0.10000E+01 volume
0.92991E+02 ppm1
9.456
ppm2
1.797

ASSI {9421}

((segid “BrD” and resid 22 and name HN))

(segid “BrD” and resid 21 and name HD1 %)

3.700
3.400
1.800 peak
9421
weight
0.10000E+01 volume
0.76602E+02 ppm1
9.456
ppm2
1.228

ASSI {9431}

((segid “BrD” and resid 63 and name HN))

(segid “BrD” and resid 68 and name HD %)

3.800
3.600
1.700 peak
9431
weight
0.10000E+01 volume
0.63643E+02 ppm1
9.456
ppm2
7.806

ASSI {9481}

((segid “BrD” and resid 109 and name HN))

((segid “BrD” and resid 109 and name HD1))

3.100
2.400
2.400 peak
9481
weight
0.10000E+01 volume
0.19915E+03 ppm1
8.556
ppm2
2.031

ASSI {9521}

((segid “BrD” and resid 103 and name HN))

(segid “BrD” and resid 82 and name HE %)

3.300
2.700
2.200 peak
9521
weight
0.10000E+01 volume
0.14688E+03 ppm1
8.695
ppm2
7.050

OR {9521}

((segid “BrD” and resid 103 and name HN))

((segid “BrD” and resid 82 and name HZ))

ASSI {9541}

((segid “BrD” and resid 112 and name HN))

((segid “BrD” and resid 111 and name HA))

4.900
4.900
0.600 peak
9541
weight
0.10000E+01 volume
0.13131E+02 ppm1
8.696
ppm2
4.682

ASSI {9611}

((segid “BrD” and resid 99 and name HN))

(segid “BrD” and resid 34 and name HE %)

3.500
3.100
2.000 peak
9611
weight
0.10000E+01 volume
0.10701E+03 ppm1
8.936
ppm2
7.772

ASSI {9671}

((segid “BrD” and resid 99 and name HN))

((segid “BrD” and resid 30 and name HB2))

4.300
4.300
1.200 peak
9671
weight
0.10000E+01 volume
0.29603E+02 ppm1
8.936
ppm2
4.568

ASSI {9681}

((segid “BrD” and resid 18 and name HN))

(segid “BrD” and resid 14 and name HD2 %)

3.600
3.200
1.900 peak
9681
weight
0.10000E+01 volume
0.80801E+02 ppm1
9.074
ppm2
1.390

OR {9681}

((segid “BrD” and resid 18 and name HN))

(segid “BrD” and resid 14 and name HD1 %)

ASSI {9751}

((segid “BrD” and resid 64 and name HN))

((segid “BrD” and resid 63 and name HB2))

2.400
1.400
1.400 peak
9751
weight
0.10000E+01 volume
0.10265E+04 ppm1
8.585
ppm2
2.532

ASSI {9761}

((segid “BrD” and resid 64 and name HN))

(segid “BrD” and resid 63 and name HD2 %)

3.300
2.700
2.200 peak
9761
weight
0.10000E+01 volume
0.14024E+03 ppm1
8.585
ppm2
1.489

ASSI {9811}

((segid “BrD” and resid 17 and name HN))

((segid “BrD” and resid 15 and name HB1))

4.300
4.300
1.200 peak
9811
weight
0.10000E+01 volume
0.29691E+02 ppm1
8.669
ppm2
3.842

ASSI {9851}

((segid “BrD” and resid 40 and name HN))

(segid “BrD” and resid 41 and name HG2 %)

2.500
1.600
1.600 peak
9851
weight
0.10000E+01 volume
0.73405E+03 ppm1
8.669
ppm2
1.866

ASSI {9871}

((segid “BrD” and resid 17 and name HN))

(segid “BrD” and resid 14 and name HD2 %)

4.000
4.000
1.500 peak
9871
weight
0.10000E+01 volume
0.46134E+02 ppm1
8.668
ppm2
1.379

OR {9871}

((segid “BrD” and resid 17 and name HN))

(segid “BrD” and resid 14 and name HD1 %)

ASSI {9881}

((segid “BrD” and resid 17 and name HN))

(segid “BrD” and resid 18 and name HD2 %)

4.600
4.600
0.900 peak
9881
weight
0.10000E+01 volume
0.20602E+02 ppm1
8.669
ppm2
0.394

ASSI {9911}

((segid “BrD” and resid 72 and name HN))

((segid “BrD” and resid 73 and name HB2))

3.000
2.200
2.200 peak
9911
weight
0.10000E+01 volume
0.24469E+03 ppm1
8.858
ppm2
2.503

ASSI {9951}

((segid “BrD” and resid 12 and name HN))

((segid “BrD” and resid 13 and name HA))

3.800
3.600
1.700 peak
9951
weight
0.10000E+01 volume
0.59337E+02 ppm1
9.021
ppm2
4.770

ASSI {9971}

((segid “BrD” and resid 12 and name HN))

((segid “BrD” and resid 15 and name HB2))

4.100
4.100
1.400 peak
9971
weight
0.10000E+01 volume
0.38398E+02 ppm1
9.021
ppm2
3.618

ASSI {9981}

((segid “BrD” and resid 12 and name HN))

((segid “BrD” and resid 11 and name HB1))

3.200
2.600
2.300 peak
9981
weight
0.10000E+01 volume
0.16530E+03 ppm1
9.021
ppm2
2.971

ASSI {9991}

((segid “BrD” and resid 12 and name HN))

((segid “BrD” and resid 11 and name HB2))

3.300
2.700
2.200 peak
9991
weight
0.10000E+01 volume
0.13633E+03 ppm1
9.022
ppm2
2.611

OR {9991}

((segid “BrD” and resid 12 and name HN))

((segid “BrD” and resid 11 and name HG1))

ASSI {10021}

((segid “BrD” and resid 25 and name HN))

((segid “BrD” and resid 26 and name HD1))

3.700
3.400
1.800 peak
10021
weight
0.10000E+01 volume
0.71669E+02 ppm1
9.134
ppm2
2.092

ASSI {10031}

((segid “BrD” and resid 25 and name HN))

(segid “BrD” and resid 102 and name HD1 %)

3.800
3.600
1.700 peak
10031
weight
0.10000E+01 volume
0.60868E+02 ppm1
9.133
ppm2
1.295

OR {10031}

((segid “BrD” and resid 25 and name HN))

(segid “BrD” and resid 102 and name HD2 %)

ASSI {10061}

((segid “BrD” and resid 24 and name HN))

(segid “BrD” and resid 25 and name HG1 %)

3.600
3.200
1.900 peak
10061
weight
0.10000E+01 volume
0.91063E+02 ppm1
8.657
ppm2
1.798

ASSI {10191}

((segid “BrD” and resid 16 and name HN))

((segid “BrD” and resid 18 and name HG))

3.700
3.400
1.800 peak
10191
weight
0.10000E+01 volume
0.73953E+02 ppm1
8.792
ppm2
2.295

ASSI {10221}

((segid “BrD” and resid 76 and name HN))

((segid “BrD” and resid 74 and name HN))

3.300
2.700
2.200 peak
10221
weight
0.10000E+01 volume
0.15827E+03 ppm1
8.611
ppm2
7.532

ASSI {10251}

((segid “BrD” and resid 75 and name HN))

(segid “BrD” and resid 18 and name HD1 %)

4.200
4.200
1.300 peak
10251
weight
0.10000E+01 volume
0.32785E+02 ppm1
9.105
ppm2
1.056

ASSI {10261}

((segid “BrD” and resid 75 and name HN))

(segid “BrD” and resid 76 and name HB %)

3.400
2.900
2.100 peak
10261
weight
0.10000E+01 volume
0.13102E+03 ppm1
9.406
ppm2
2.099

ASSI {10291}

((segid “BrD” and resid 75 and name HN))

(segid “BrD” and resid 75 and name HE %)

3.800
3.600
1.700 peak
10291
weight
0.10000E+01 volume
0.67546E+02 ppm1
9.108
ppm2
2.654

ASSI {10301}

((segid “BrD” and resid 75 and name HN))

(segid “BrD” and resid 18 and name HD2 %)

3.900
3.800
1.600 peak
10301
weight
0.10000E+01 volume
0.57563E+02 ppm1
9.106
ppm2
0.429

ASSI {10351}

((segid “BrD” and resid 95 and name HN))

((segid “BrD” and resid 93 and name HB1))

2.900
2.100
2.100 peak
10351
weight
0.10000E+01 volume
0.35043E+03 ppm1
8.669
ppm2
5.018

ASSI {10401}

((segid “BrD” and resid 55 and name HN))

((segid “BrD” and resid 37 and name HB2))

3.600
3.200
1.900 peak
10401
weight
0.10000E+01 volume
0.94850E+02 ppm1
7.996
ppm2
2.295

ASSI {10421}

((segid “BrD” and resid 55 and name HN))

((segid “BrD” and resid 37 and name HG2))

2.700
1.800
1.800 peak
10421
weight
0.10000E+01 volume
0.46013E+03 ppm1
7.996
ppm2
2.578

ASSI {10441}

((segid “BrD” and resid 96 and name HN))

((segid “BrD” and resid 95 and name HB1))

3.300
2.700
2.200 peak
10441
weight
0.10000E+01 volume
0.14200E+03 ppm1
7.988
ppm2
3.587

ASSI {10571}

((segid “BrD” and resid 80 and name HN))

((segid “BrD” and resid 79 and name HG1))

2.400
1.400
1.400 peak
10571
weight
0.10000E+01 volume
0.10119E+04 ppm1
7.975
ppm2
3.105

ASSI {10581}

((segid “BrD” and resid 78 and name HN))

((segid “BrD” and resid 77 and name HB1))

3.000
2.200
2.200 peak
10581
weight
0.10000E+01 volume
0.26376E+03 ppm1
7.974
ppm2
3.301

ASSI {10591}

((segid “BrD” and resid 55 and name HN))

((segid “BrD” and resid 58 and name HN))

4.100
4.100
1.400 peak
10591
weight
0.10000E+01 volume
0.42990E+02 ppm1
7.972
ppm2
10.062

ASSI {10621}

((segid “BrD” and resid 56 and name HN))

((segid “BrD” and resid 34 and name HB1))

3.700
3.400
1.800 peak
10621
weight
0.10000E+01 volume
0.69879E+02 ppm1
9.674
ppm2
4.100

ASSI {10641}

((segid “BrD” and resid 82 and name HN))

((segid “BrD” and resid 80 and name HB1))

4.200
4.200
1.300 peak
10641
weight
0.10000E+01 volume
0.33240E+02 ppm1
6.981
ppm2
2.603

ASSI {10651}

((segid “BrD” and resid 82 and name HN))

((segid “BrD” and resid 84 and name HB2))

4.300
4.300
1.200 peak
10651
weight
0.10000E+01 volume
0.31962E+02 ppm1
6.981
ppm2
3.230

ASSI {10661}

((segid “BrD” and resid 82 and name HN))

(segid “BrD” and resid 99 and name HB %)

4.100
4.100
1.400 peak
10661
weight
0.10000E+01 volume
0.41756E+02 ppm1
6.981
ppm2
2.202

ASSI {10721}

((segid “BrD” and resid 81 and name HN))

((segid “BrD” and resid 77 and name HB1))

3.900
3.800
1.600 peak
10721
weight
0.10000E+01 volume
0.54085E+02 ppm1
7.641
ppm2
3.310

ASSI {10751}

((segid “BrD” and resid 80 and name HN))

((segid “BrD” and resid 77 and name HB1))

4.400
4.400
1.100 peak
10751
weight
0.10000E+01 volume
0.26321E+02 ppm1
8.005
ppm2
3.322

ASSI {10771}

((segid “BrD” and resid 80 and name HN))

((segid “BrD” and resid 81 and name HB))

3.700
3.400
1.800 peak
10771
weight
0.10000E+01 volume
0.71103E+02 ppm1
8.006
ppm2
2.049

ASSI {10841}

((segid “BrD” and resid 79 and name HN))

(segid “BrD” and resid 76 and name HB %)

3.500
3.100
2.000 peak
10841
weight
0.10000E+01 volume
0.10580E+03 ppm1
8.681
ppm2
2.096

ASSI {10881}

((segid “BrD” and resid 85 and name HN))

(segid “BrD” and resid 99 and name HB %)

3.900
3.800
1.600 peak
10881
weight
0.10000E+01 volume
0.56660E+02 ppm1
7.515
ppm2
2.208

ASSI {10891}

((segid “BrD” and resid 85 and name HN))

(segid “BrD” and resid 81 and name HG2 %)

4.100
4.100
1.400 peak
10891
weight
0.10000E+01 volume
0.42261E+02 ppm1
7.522
ppm2
0.765

ASSI {10921}

((segid “BrD” and resid 86 and name HN))

((segid “BrD” and resid 47 and name HB1))

3.800
3.600
1.700 peak
10921
weight
0.10000E+01 volume
0.59880E+02 ppm1
8.423
ppm2
2.779

OR {10921}

((segid “BrD” and resid 86 and name HN))

((segid “BrD” and resid 87 and name HG2))

ASSI {10931}

((segid “BrD” and resid 86 and name HN))

((segid “BrD” and resid 87 and name HB2))

3.800
3.600
1.700 peak
10931
weight
0.10000E+01 volume
0.59561E+02 ppm1
8.423
ppm2
2.577

ASSI {10941}

((segid “BrD” and resid 86 and name HN))

(segid “BrD” and resid 99 and name HB %)

3.600
3.200
1.900 peak
10941
weight
0.10000E+01 volume
0.93545E+02 ppm1
8.423
ppm2
2.210

ASSI {11001}

((segid “BrD” and resid 87 and name HN))

(segid “BrD” and resid 50 and name HD1 %)

3.800
3.600
1.700 peak
11001
weight
0.10000E+01 volume
0.61476E+02 ppm1
8.570
ppm2
1.148

ASSI {11021}

((segid “BrD” and resid 87 and name HN))

((segid “BrD” and resid 86 and name HG2))

4.500
4.500
1.000 peak
11021
weight
0.10000E+01 volume
0.22088E+02 ppm1
8.571
ppm2
0.780

ASSI {11031}

((segid “BrD” and resid 88 and name HN))

(segid “BrD” and resid 50 and name HD1 %)

3.600
3.200
1.900 peak
11031
weight
0.10000E+01 volume
0.90228E+02 ppm1
8.354
ppm2
1.146

ASSI {11041}

((segid “BrD” and resid 88 and name HN))

((segid “BrD” and resid 84 and name HB2))

4.000
4.000
1.500 peak
11041
weight
0.10000E+01 volume
0.46284E+02 ppm1
8.354
ppm2
3.299

ASSI {11051}

((segid “BrD” and resid 88 and name HN))

((segid “BrD” and resid 87 and name HG1))

4.600
4.600
0.900 peak
11051
weight
0.10000E+01 volume
0.19886E+02 ppm1
8.354
ppm2
3.018

ASSI {11161}

((segid “BrD” and resid 93 and name HN))

((segid “BrD” and resid 91 and name HD2))

3.700
3.400
1.800 peak
11161
weight
0.10000E+01 volume
0.78354E+02 ppm1
8.714
ppm2
4.410

ASSI {11171}

((segid “BrD” and resid 93 and name HN))

((segid “BrD” and resid 96 and name HB1))

3.300
2.700
2.200 peak
11171
weight
0.10000E+01 volume
0.14983E+03 ppm1
8.714
ppm2
4.004

ASSI {11191}

((segid “BrD” and resid 30 and name HN))

((segid “BrD” and resid 28 and name HB2))

4.400
4.400
1.100 peak
11191
weight
0.10000E+01 volume
0.26154E+02 ppm1
12.276
ppm2
3.392

ASSI {11201}

((segid “BrD” and resid 30 and name HN))

((segid “BrD” and resid 28 and name HB1))

3.300
2.700
2.200 peak
11201
weight
0.10000E+01 volume
0.15024E+03 ppm1
12.275
ppm2
3.594

ASSI {11211}

((segid “BrD” and resid 30 and name HN))

((segid “BrD” and resid 32 and name HN))

3.600
3.200
1.900 peak
11211
weight
0.10000E+01 volume
0.82022E+02 ppm1
12.276
ppm2
7.741

ASSI {11241}

((segid “BrD” and resid 31 and name HN))

((segid “BrD” and resid 28 and name HB1))

3.600
3.200
1.900 peak
11241
weight
0.10000E+01 volume
0.94605E+02 ppm1
8.480
ppm2
3.594

ASSI {11251}

((segid “BrD” and resid 31 and name HN))

((segid “BrD” and resid 28 and name HB2))

3.800
3.600
1.700 peak
11251
weight
0.10000E+01 volume
0.64760E+02 ppm1
8.481
ppm2
3.389

ASSI {11361}

((segid “BrD” and resid 32 and name HN))

(segid “BrD” and resid 102 and name HD1 %)

4.500
4.500
1.000 peak
11361
weight
0.10000E+01 volume
0.23592E+02 ppm1
7.738
ppm2
1.310

ASSI {11391}

((segid “BrD” and resid 34 and name HN))

((segid “BrD” and resid 35 and name HG1))

3.200
2.600
2.300 peak
11391
weight
0.10000E+01 volume
0.18521E+03 ppm1
8.182
ppm2
3.447

ASSI {11431}

((segid “BrD” and resid 34 and name HN))

(segid “BrD” and resid 31 and name HB %)

2.900
2.100
2.100 peak
11431
weight
0.10000E+01 volume
0.29794E+03 ppm1
8.179
ppm2
2.301

ASSI {11441}

((segid “BrD” and resid 34 and name HN))

(segid “BrD” and resid 56 and name HD1 %)

3.400
2.900
2.100 peak
11441
weight
0.10000E+01 volume
0.12961E+03 ppm1
8.184
ppm2
1.527

ASSI {11451}

((segid “BrD” and resid 34 and name HN))

(segid “BrD” and resid 102 and name HD1 %)

3.600
3.200
1.900 peak
11451
weight
0.10000E+01 volume
0.84106E+02 ppm1
8.185
ppm2
1.305

ASSI {11521}

((segid “BrD” and resid 35 and name HN))

(segid “BrD” and resid 56 and name HD1 %)

4.500
4.500
1.000 peak
11521
weight
0.10000E+01 volume
0.22012E+02 ppm1
7.734
ppm2
1.553

ASSI {11561}

((segid “BrD” and resid 36 and name HN))

((segid “BrD” and resid 57 and name HB1))

3.400
2.900
2.100 peak
11561
weight
0.10000E+01 volume
0.11642E+03 ppm1
8.308
ppm2
2.953

ASSI {11571}

((segid “BrD” and resid 66 and name HN))

(segid “BrD” and resid 63 and name HD1 %)

4.200
4.200
1.300 peak
11571
weight
0.10000E+01 volume
0.34773E+02 ppm1
8.763
ppm2
1.640

ASSI {11601}

((segid “BrD” and resid 67 and name HN))

(segid “BrD” and resid 68 and name HD %)

4.400
4.400
1.100 peak
11601
weight
0.10000E+01 volume
0.26280E+02 ppm1
8.832
ppm2
7.780

ASSI {11651}

((segid “BrD” and resid 68 and name HN))

((segid “BrD” and resid 69 and name HB))

3.700
3.400
1.600 peak
11651
weight
0.10000E+01 volume
0.74566E+02 ppm1
8.626
ppm2
2.947

ASSI {11661}

((segid “BrD” and resid 68 and name HN))

(segid “BrD” and resid 18 and name HD1 %)

5.500
5.500
0.000 peak
11661
weight
0.10000E+01 volume
0.40212E+01 ppm1
8.626
ppm2
1.090

ASSI {11731}

((segid “BrD” and resid 70 and name HN))

((segid “BrD” and resid 68 and name HB1))

3.600
3.200
1.900 peak
11731
weight
0.10000E+01 volume
0.91804E+02 ppm1
8.040
ppm2
3.689

ASSI {11741}

((segid “BrD” and resid 70 and name HN))

((segid “BrD” and resid 74 and name HB1))

3.400
2.900
2.100 peak
11741
weight
0.10000E+01 volume
0.13333E+03 ppm1
8.039
ppm2
3.544

ASSI {11771}

((segid “BrD” and resid 70 and name HN))

((segid “BrD” and resid 73 and name HB2))

3.700
3.400
1.800 peak
11771
weight
0.10000E+01 volume
0.79558E+02 ppm1
8.040
ppm2
2.491

ASSI {11841}

((segid “BrD” and resid 73 and name HN))

((segid “BrD” and resid 70 and name HB2))

3.200
2.600
2.300 peak
11841
weight
0.10000E+01 volume
0.16883E+03 ppm1
8.047
ppm2
4.361

ASSI {11891}

((segid “BrD” and resid 74 and name HN))

((segid “BrD” and resid 75 and name HB2))

4.700
4.700
0.800 peak
11891
weight
0.10000E+01 volume
0.18157E+02 ppm1
7.536
ppm2
2.851

ASSI {11911}

((segid “BrD” and resid 74 and name HN))

(segid “BrD” and resid 76 and name HB %)

4.400
4.400
1.100 peak
11911
weight
0.10000E+01 volume
0.27875E+02 ppm1
7.536
ppm2
2.088

ASSI {12031}

((segid “BrD” and resid 99 and name HN))

((segid “BrD” and resid 100 and name HB2))

3.800
3.600
1.700 peak
12031
weight
0.10000E+01 volume
0.61845E+02 ppm1
8.936
ppm2
3.439

ASSI {12041}

((segid “BrD” and resid 99 and name HN))

((segid “BrD” and resid 97 and name HB1))

3.400
2.900
2.100 peak
12041
weight
0.10000E+01 volume
0.12562E+03 ppm1
8.936
ppm2
2.721

ASSI {12061}

((segid “BrD” and resid 100 and name HN))

((segid “BrD” and resid 101 and name HA))

4.000
4.000
1.500 peak
12061
weight
0.10000E+01 volume
0.47923E+02 ppm1
8.669
ppm2
4.255

ASSI {12091}

((segid “BrD” and resid 100 and name HN))

((segid “BrD” and resid 101 and name HG11))

4.100
4.100
1.400 peak
12091
weight
0.10000E+01 volume
0.39843E+02 ppm1
8.669
ppm2
2.519

OR {12091}

((segid “BrD” and resid 100 and name HN))

((segid “BrD” and resid 101 and name HB))

ASSI {12151}

((segid “BrD” and resid 101 and name HN))

((segid “BrD” and resid 104 and name HD1))

3.500
3.100
2.000 peak
12151
weight
0.10000E+01 volume
0.11138E+03 ppm1
8.513
ppm2
2.282

ASSI {12221}

((segid “BrD” and resid 107 and name HN))

(segid “BrD” and resid 106 and name HD %)

3.300
2.700
2.200 peak
12221
weight
0.10000E+01 volume
0.14273E+03 ppm1
8.981
ppm2
7.515

ASSI {12241}

((segid “BrD” and resid 107 and name HN))

((segid “BrD” and resid 103 and name HG2))

3.400
2.900
2.100 peak
12241
weight
0.10000E+01 volume
0.11969E+03 ppm1
8.980
ppm2
2.547

ASSI {12271}

((segid “BrD” and resid 107 and name HN))

((segid “BrD” and resid 110 and name HG12))

4.000
4.000
1.500 peak
12271
weight
0.10000E+01 volume
0.48486E+02 ppm1
8.980
ppm2
1.678

ASSI {12291}

((segid “BrD” and resid 108 and name HN))

((segid “BrD” and resid 109 and name HB2))

5.500
5.500
0.000 peak
12291
weight
0.10000E+01 volume
0.20202E+00 ppm1
8.522
ppm2
2.195

ASSI {12411}

((segid “BrD” and resid 113 and name HN))

(segid “BrD” and resid 17 and name HG2 %)

4.300
4.300
1.200 peak
12411
weight
0.10000E+01 volume
0.28750E+02 ppm1
8.218
ppm2
1.728

ASSI {12431}

((segid “BrD” and resid 113 and name HN))

(segid “BrD” and resid 110 and name HG2 %)

3.400
2.900
2.100 peak
12431
weight
0.10000E+01 volume
0.12771E+03 ppm1
8.218
ppm2
1.275

ASSI {12441}

((segid “BrD” and resid 115 and name HN))

(segid “BrD” and resid 113 and name HB %)

3.400
2.900
2.100 peak
12441
weight
0.10000E+01 volume
0.11633E+03 ppm1
8.355
ppm2
1.969

ASSI {12451}

((segid “BrD” and resid 115 and name HN))

((segid “BrD” and resid 116 and name HG12))

5.500
5.500
0.000 peak
12451
weight
0.10000E+01 volume
0.47664E+01 ppm1
8.355
ppm2
1.556

ASSI {12461}

((segid “BrD” and resid 115 and name HN))

(segid “BrD” and resid 110 and name HD1 %)

4.400
4.400
1.100 peak
12461
weight
0.10000E+01 volume
0.26420E+02 ppm1
8.356
ppm2
1.163

ASSI {12471}

((segid “BrD” and resid 115 and name HN))

((segid “BrD” and resid 110 and name HB))

3.700
3.400
1.800 peak
12471
weight
0.10000E+01 volume
0.76081E+02 ppm1
8.355
ppm2
2.346

ASSI {12481}

((segid “BrD” and resid 117 and name HN))

(segid “BrD” and resid 116 and name HG12 %)

4.700
4.700
0.800 peak
12481
weight
0.10000E+01 volume
0.17262E+02 ppm1
8.883
ppm2
1.544

ASSI {12491}

((segid “BrD” and resid 116 and name HN))

(segid “BrD” and resid 110 and name HG2 %)

3.200
2.600
2.300 peak
12491
weight
0.10000E+01 volume
0.16590E+03 ppm1
8.063
ppm2
1.277

ASSI {12521}

((segid “BrD” and resid 116 and name HN))

(segid “BrD” and resid 110 and name HD1 %)

3.200
2.600
2.300 peak
12521
weight
0.10000E+01 volume
0.17496E+03 ppm1
8.086
ppm2
1.156

ASSI {12591}

((segid “BrD” and resid 47 and name HN))

((segid “BrD” and resid 48 and name HG2))

4.200
4.200
1.300 peak
12591
weight
0.10000E+01 volume
0.33544E+02 ppm1
8.832
ppm2
2.861

ASSI {12611}

((segid “BrD” and resid 47 and name HN))

(segid “BrD” and resid 43 and name HB %)

3.800
3.600
1.700 peak
12611
weight
0.10000E+01 volume
0.60519E+02 ppm1
8.832
ppm2
1.700

ASSI {12621}

((segid “BrD” and resid 49 and name HN))

((segid “BrD” and resid 50 and name HB))

3.600
3.200
1.900 peak
12621
weight
0.10000E+01 volume
0.90984E+02 ppm1
7.762
ppm2
1.797

ASSI {12701}

((segid “BrD” and resid 52 and name HN))

((segid “BrD” and resid 53 and name HG1))

3.900
3.800
1.600 peak
12701
weight
0.10000E+01 volume
0.53690E+02 ppm1
9.004
ppm2
2.820

OR {12701}

((segid “BrD” and resid 52 and name HN))

((segid “BrD” and resid 53 and name HB1))

ASSI {12741}

((segid “BrD” and resid 42 and name HN))

((segid “BrD” and resid 39 and name HB1))

3.100
2.400
2.400 peak
12741
weight
0.10000E+01 volume
0.21408E+03 ppm1
7.820
ppm2
2.491

ASSI {12751}

((segid “BrD” and resid 42 and name HN))

((segid “BrD” and resid 39 and name HD1))

3.000
2.200
2.200 peak
12751
weight
0.10000E+01 volume
0.25898E+03 ppm1
7.821
ppm2
1.286

ASSI {12761}

((segid “BrD” and resid 42 and name HN))

(segid “BrD” and resid 43 and name HB %)

3.500
3.100
2.000 peak
12761
weight
0.10000E+01 volume
0.10310E+03 ppm1
7.820
ppm2
1.706

ASSI {12851}

((segid “BrD” and resid 20 and name HN))

((segid “BrD” and resid 19 and name HD1))

3.600
3.200
1.900 peak
12851
weight
0.10000E+01 volume
0.82185E+02 ppm1
8.145
ppm2
2.189

ASSI {12881}

((segid “BrD” and resid 20 and name HN))

((segid “BrD” and resid 21 and name HG12))

3.900
3.800
1.600 peak
12881
weight
0.10000E+01 volume
0.55288E+02 ppm1
8.147
ppm2
1.639

OR {12881}

((segid “BrD” and resid 20 and name HN))

(segid “BrD” and resid 21 and name HG2 %)

ASSI {12891}

((segid “BrD” and resid 20 and name HN))

(segid “BrD” and resid 63 and name HD2 %)

3.500
3.100
2.000 peak
12891
weight
0.10000E+01 volume
0.11141E+03 ppm1
8.146
ppm2
1.480

ASSI {12901}

((segid “BrD” and resid 20 and name HN))

(segid “BrD” and resid 17 and name HG2 %)

3.900
3.800
1.600 peak
12901
weight
0.10000E+01 volume
0.53573E+02 ppm1
8.146
ppm2
1.762

ASSI {12991}

((segid “BrD” and resid 23 and name HN))

((segid “BrD” and resid 20 and name HN))

3.800
3.600
1.700 peak
12991
weight
0.10000E+01 volume
0.61946E+02 ppm1
9.119
ppm2
8.121

ASSI {13021}

((segid “BrD” and resid 26 and name HN))

((segid “BrD” and resid 28 and name HB2))

4.200
4.200
1.300 peak
13021
weight
0.10000E+01 volume
0.33211E+02 ppm1
9.196
ppm2
3.393

ASSI {13031}

((segid “BrD” and resid 26 and name HN))

((segid “BrD” and resid 35 and name HG1))

4.500
4.500
1.000 peak
13031
weight
0.10000E+01 volume
0.21672E+02 ppm1
9.195
ppm2
3.493

ASSI {13041}

((segid “BrD” and resid 26 and name HN))

(segid “BrD” and resid 56 and name HD2 %)

4.100
4.100
1.400 peak
13041
weight
0.10000E+01 volume
0.41596E+02 ppm1
9.196
ppm2
1.250

ASSI {13061}

((segid “BrD” and resid 27 and name HN))

((segid “BrD” and resid 26 and name HG1))

3.800
3.600
1.700 peak
13061
weight
0.10000E+01 volume
0.66585E+02 ppm1
8.169
ppm2
1.596

ASSI {13091}

((segid “BrD” and resid 27 and name HN))

(segid “BrD” and resid 35 and name HE %)

3.600
3.200
1.900 peak
13091
weight
0.10000E+01 volume
0.88198E+02 ppm1
8.169
ppm2
2.809

ASSI {13111}

((segid “BrD” and resid 59 and name HN))

(segid “BrD” and resid 59 and name HE %)

3.300
2.700
2.200 peak
13111
weight
0.10000E+01 volume
0.15860E+03 ppm1
8.498
ppm2
1.864

ASSI {13131}

((segid “BrD” and resid 59 and name HN))

(segid “BrD” and resid 56 and name HD2 %)

4.300
4.300
1.200 peak
13131
weight
0.10000E+01 volume
0.28520E+02 ppm1
8.499
ppm2
1.239

ASSI {13161}

((segid “BrD” and resid 60 and name HN))

((segid “BrD” and resid 59 and name HG1))

3.600
3.200
1.900 peak
13161
weight
0.10000E+01 volume
0.93397E+02 ppm1
8.565
ppm2
3.213

ASSI {13221}

((segid “BrD” and resid 32 and name HE1))

((segid “BrD” and resid 32 and name HD1))

2.300
1.300
1.300 peak
13221
weight
0.10000E+01 volume
0.12506E+04 ppm1
11.082
ppm2
8.475

ASSI {13231}

((segid “BrD” and resid 32 and name HE1))

((segid “BrD” and resid 32 and name HN))

3.200
2.600
2.300 peak
13231
weight
0.10000E+01 volume
0.18835E+03 ppm1
11.082
ppm2
7.742

OR {13231}

((segid “BrD” and resid 32 and name HE1))

((segid “BrD” and resid 32 and name HH2))

ASSI {13241}

((segid “BrD” and resid 32 and name HE1))

((segid “BrD” and resid 32 and name HZ2))

2.500
1.600
1.600 peak
13241
weight
0.10000E+01 volume
0.70734E+03 ppm1
11.082
ppm2
7.984

ASSI {13251}

((segid “BrD” and resid 32 and name HE1))

((segid “BrD” and resid 30 and name HA))

3.100
2.400
2.400 peak
13251
weight
0.10000E+01 volume
0.22949E+03 ppm1
11.082
ppm2
5.450

ASSI {13301}

((segid “BrD” and resid 76 and name HN))

((segid “BrD” and resid 77 and name HA))

4.200
4.200
1.300 peak
13301
weight
0.10000E+01 volume
0.33586E+02 ppm1
8.610
ppm2
4.967

ASSI {13311}

((segid “BrD” and resid 76 and name HN))

((segid “BrD” and resid 77 and name HB1))

4.100
4.100
1.400 peak
13311
weight
0.10000E+01 volume
0.37785E+02 ppm1
8.623
ppm2
3.344

ASSI {13651}

((segid “BrD” and resid 56 and name HN))

(segid “BrD” and resid 81 and name HG1 %)

4.100
4.100
1.400 peak
13651
weight
0.10000E+01 volume
0.38100E+02 ppm1
9.680
ppm2
1.077

ASSI {13661}

((segid “BrD” and resid 56 and name HN))

(segid “BrD” and resid 81 and name HG2 %)

4.200
4.200
1.300 peak
13661
weight
0.10000E+01 volume
0.33875E+02 ppm1
9.681
ppm2
0.743

ASSI {13681}

((segid “BrD” and resid 74 and name HN))

(segid “BrD” and resid 14 and name HD1 %)

4.700
4.700
0.800 peak
13681
weight
0.10000E+01 volume
0.17399E+03 ppm1
7.536
ppm2
1.405

OR {13681}

((segid “BrD” and resid 74 and name HN))

(segid “BrD” and resid 14 and name HD2 %)

ASSI {13721}

((segid “BrD” and resid 16 and name HN))

((segid “BrD” and resid 17 and name HB))

4.400
4.400
1.100 peak
13721
weight
0.10000E+01 volume
0.26713E+02 ppm1
8.794
ppm2
4.874

ASSI {13751}

((segid “BrD” and resid 74 and name HN))

((segid “BrD” and resid 68 and name HA))

5.300
5.300
0.200 peak
13751
weight
0.10000E+01 volume
0.81254E+01 ppm1
7.537
ppm2
5.140

ASSI {13881}

((segid “BrD” and resid 46 and name HN))

(segid “BrD” and resid 38 and name HG1 %)

4.600
4.600
0.900 peak
13881
weight
0.10000E+01 volume
0.18836E+02 ppm1
8.562
ppm2
1.082

ASSI {13891}

((segid “BrD” and resid 62 and name HN))

((segid “BrD” and resid 67 and name HB1))

4.100
4.100
1.400 peak
13891
weight
0.10000E+01 volume
0.40043E+02 ppm1
8.998
ppm2
3.557

ASSI {13931}

((segid “BrD” and resid 116 and name HN))

(segid “BrD” and resid 75 and name HE %)

5.000
5.000
0.500 peak
13931
weight
0.10000E+01 volume
0.12168E+02 ppm1
8.086
ppm2
2.640

ASSI {13941}

((segid “BrD” and resid 115 and name HN))

((segid “BrD” and resid 110 and name HA))

4.100
4.100
1.400 peak
13941
weight
0.10000E+01 volume
0.38338E+02 ppm1
8.355
ppm2
4.419

ASSI {13951}

((segid “BrD” and resid 114 and name HN))

((segid “BrD” and resid 112 and name HN))

4.000
4.000
1.500 peak
13951
weight
0.10000E+01 volume
0.49230E+02 ppm1
8.375
ppm2
8.642

ASSI {13961}

((segid “BrD” and resid 114 and name HN))

((segid “BrD” and resid 112 and name HB1))

5.200
5.200
0.300 peak
13961
weight
0.10000E+01 volume
0.99997E+01 ppm1
8.377
ppm2
2.665

ASSI {14001}

((segid “BrD” and resid 108 and name HN))

((segid “BrD” and resid 106 and name HN))

4.900
4.900
0.600 peak
14001
weight
0.10000E+01 volume
0.12922E+02 ppm1
8.529
ppm2
9.745

ASSI {14021}

((segid “BrD” and resid 108 and name HN))

((segid “BrD” and resid 104 and name HA))

2.700
1.800
1.800 peak
14021
weight
0.10000E+01 volume
0.54819E+03 ppm1
8.526
ppm2
4.663

ASSI {14032}

((segid “BrD” and resid 108 and name HN))

((segid “BrD” and resid 110 and name HG12))

5.200
5.200
0.300 peak
14031
weight
0.10000E+01 volume
0.95149E+03 ppm1
8.521
ppm2
1.696

ASSI {14051}

((segid “BrD” and resid 107 and name HN))

((segid “BrD” and resid 108 and name HA))

4.500
4.500
1.000 peak
14051
weight
0.10000E+01 volume
0.23253E+02 ppm1
8.980
ppm2
4.798

ASSI {14081}

((segid “BrD” and resid 106 and name HN))

(segid “BrD” and resid 21 and name HG2 %)

4.600
4.600
0.900 peak
14081
weight
0.10000E+01 volume
0.21267E+02 ppm1
9.740
ppm2
1.640

ASSI {14091}

((segid “BrD” and resid 105 and name HN))

((segid “BrD” and resid 106 and name HA))

4.500
4.500
1.000 peak
14091
weight
0.10000E+01 volume
0.22194E+02 ppm1
8.487
ppm2
4.568

ASSI {14101}

((segid “BrD” and resid 105 and name HN))

((segid “BrD” and resid 103 and name HB2))

5.000
5.000
0.500 peak
14101
weight
0.10000E+01 volume
0.11917E+02 ppm1
8.487
ppm2
1.881

ASSI {14181}

((segid “BrD” and resid 100 and name HN))

((segid “BrD” and resid 34 and name HZ))

4.400
4.700
0.800 peak
14181
weight
0.10000E+01 volume
0.18067E+02 ppm1
8.675
ppm2
7.907

ASSI {14211}

((segid “BrD” and resid 100 and name HN))

((segid “BrD” and resid 97 and name HB1))

4.400
4.400
1.100 peak
14211
weight
0.10000E+01 volume
0.25437E+02 ppm1
8.669
ppm2
2.715

ASSI {14331}

((segid “BrD” and resid 99 and name HN))

((segid “BrD” and resid 101 and name HN))

4.300
4.300
1.200 peak
14231
weight
0.10000E+01 volume
0.28380E+02 ppm1
8.936
ppm2
8.500

ASSI {14261}

((segid “BrD” and resid 99 and name HN))

((segid “BrD” and resid 33 and name HG1))

5.500
5.500
0.000 peak
14261
weight
0.10000E+01 volume
0.32802E+02 ppm1
8.936
ppm2
0.866

ASSI {14271}

((segid “BrD” and resid 98 and name HN))

((segid “BrD” and resid 101 and name HN))

4.400
4.400
1.100 peak
14271
weight
0.10000E+01 volume
0.25780E+02 ppm1
9.125
ppm2
8.515

ASSI {14291}

((segid “BrD” and resid 97 and name HN))

((segid “BrD” and resid 93 and name HB1))

5.500
5.500
0.000 peak
14291
weight
0.10000E+01 volume
0.62831E+01 ppm1
8.677
ppm2
5.016

OR {14291}

((segid “BrD” and resid 97 and name HN))

((segid “BrD” and resid 93 and name HA))

ASSI {14321}

((segid “BrD” and resid 95 and name HN))

((segid “BrD” and resid 32 and name HH2))

3.700
3.400
1.800 peak
14321
weight
0.10000E+01 volume
0.76926E+02 ppm1
8.669
ppm2
7.739

ASSI {14331}

((segid “BrD” and resid 93 and name HN))

((segid “BrD” and resid 96 and name HN))

4.500
4.500
1.000 peak
14331
weight
0.10000E+01 volume
0.22598E+02 ppm1
8.713
ppm2
7.963

ASSI {14351}

((segid “BrD” and resid 93 and name HN))

((segid “BrD” and resid 95 and name HB1))

4.600
4.600
0.900 peak
14351
weight
0.10000E+01 volume
0.20643E+02 ppm1
8.714
ppm2
3.617

ASSI {14361}

((segid “BrD” and resid 87 and name HN))

((segid “BrD” and resid 89 and name HD21))

3.900
3.800
1.600 peak
14381
weight
0.10000E+01 volume
0.54969E+02 ppm1
8.568
ppm2
8.959

ASSI {14391}

((segid “BrD” and resid 87 and name HN))

((segid “BrD” and resid 89 and name HN))

3.600
3.200
1.900 peak
14391
weight
0.10000E+01 volume
0.81305E+02 ppm1
8.568
ppm2
8.838

ASSI {14431}

((segid “BrD” and resid 85 and name HN))

((segid “BrD” and resid 87 and name HN))

4.100
4.200
1.400 peak
14431
weight
0.10000E+01 volume
0.43435E+02 ppm1
7.516
ppm2
8.557

ASSI {14471}

((segid “BrD” and resid 82 and name HN))

((segid “BrD” and resid 80 and name HN))

4.800
4.800
0.700 peak
14471
weight
0.10000E+01 volume
0.16164E+02 ppm1
6.979
ppm2
7.979

ASSI {14521}

((segid “BrD” and resid 79 and name HN))

((segid “BrD” and resid 77 and name HA))

4.800
4.800
0.700 peak
14521
weight
0.10000E+01 volume
0.15931E+02 ppm1
8.679
ppm2
4.968

ASSI {14531}

((segid “BrD” and resid 79 and name HN))

(segid “BrD” and resid 59 and name HE %)

4.000
4.000
1.500 peak
14531
weight
0.10000E+01 volume
0.45701E+02 ppm1
8.680
ppm2
1.876

ASSI {14561}

((segid “BrD” and resid 76 and name HN))

((segid “BrD” and resid 74 and name HA))

4.300
4.300
1.200 peak
14561
weight
0.10000E+01 volume
0.31541E+02 ppm1
8.611
ppm2
4.361

ASSI {14601}

((segid “BrD” and resid 72 and name HN))

((segid “BrD” and resid 75 and name HB2))

4.600
4.600
0.900 peak
14601
weight
0.10000E+01 volume
0.21235E+02 ppm1
8.859
ppm2
2.805

ASSI {14611}

((segid “BrD” and resid 72 and name HN))

((segid “BrD” and resid 9 and name HB1))

3.600
3.200
1.900 peak
14611
weight
0.10000E+01 volume
0.90159E+02 ppm1
8.859
ppm2
2.443

ASSI {14661}

((segid “BrD” and resid 64 and name HN))

((segid “BrD” and resid 62 and name HN))

4.100
4.100
1.400 peak
14661
weight
0.10000E+01 volume
0.40125E+02 ppm1
8.585
ppm2
8.966

ASSI {14681}

((segid “BrD” and resid 64 and name HN))

((segid “BrD” and resid 65 and name HB2))

4.800
4.800
0.700 peak
14681
weight
0.10000E+01 volume
0.16509E+02 ppm1
8.584
ppm2
3.383

ASSI {14711}

((segid “BrD” and resid 63 and name HN))

(segid “BrD” and resid 74 and name HD %)

4.600
4.600
0.900 peak
14711
weight
0.10000E+01 volume
0.18909E+02 ppm1
9471
ppm2
7.007

ASSI {14741}

((segid “BrD” and resid 62 and name HN))

((segid “BrD” and resid 61 and name HN))

2.600
1.700
1.700 peak
14741
weight
0.10000E+01 volume
0.63142E+03 ppm1
8.997
ppm2
8.742

ASSI {14771}

((segid “BrD” and resid 62 and name HN))

((segid “BrD” and resid 65 and name HB2))

4.200
4.200
1.300 peak
14771
weight
0.10000E+01 volume
0.33744E+02 ppm1
8.999
ppm2
3.355

ASSI {14841}

((segid “BrD” and resid 57 and name HN))

((segid “BrD” and resid 35 and name HA))

3.200
2.600
2.300 peak
14841
weight
0.10000E+01 volume
0.16187E+03 ppm1
9.359
ppm2
4.904

ASSI {14861}

((segid “BrD” and resid 55 and name HN))

((segid “BrD” and resid 59 and name HN))

3.900
3.800
1.600 peak
14861
weight
0.10000E+01 volume
0.53302E+03 ppm1
7.974
ppm2
8.496

ASSI {14891}

((segid “BrD” and resid 54 and name HN))

((segid “BrD” and resid 84 and name HB1))

4.600
4.600
0.900 peak
14891
weight
0.10000E+01 volume
0.21172E+02 ppm1
9.037
ppm2
3.597

ASSI {14981}

((segid “BrD” and resid 48 and name HN))

((segid “BrD” and resid 46 and name HB2))

4.300
4.300
1.200 peak
14981
weight
0.10000E+01 volume
0.30250E+02 ppm1
8.306
ppm2
3.090

ASSI {14991}

((segid “BrD” and resid 48 and name HN))

(segid “BrD” and resid 49 and name HG1 %)

3.700
3.400
1.800 peak
14991
weight
0.10000E+01 volume
0.71559E+02 ppm1
8.305
ppm2
1.639

ASSI {15001}

((segid “BrD” and resid 92 and name HN))

((segid “BrD” and resid 89 and name HD22))

4.900
4.900
0.600 peak
15001
weight
0.10000E+01 volume
0.14588E+02 ppm1
8.632
ppm2
8.433

ASSI {15011}

((segid “BrD” and resid 47 and name HN))

((segid “BrD” and resid 49 and name HN))

4.000
4.000
1.500 peak
15011
weight
0.10000E+01 volume
0.44203E+02 ppm1
8.632
ppm2
7.759

ASSI {15041}

((segid “BrD” and resid 43 and name HN))

((segid “BrD” and resid 42 and name HG2))

4.000
4.000
1.500 peak
15041
weight
0.10000E+01 volume
0.44922E+02 ppm1
8.000
ppm2
2.889

ASSI {15071}

((segid “BrD” and resid 35 and name HN))

((segid “BrD” and resid 33 and name HA))

4.300
4.300
1.200 peak
15071
weight
0.10000E+01 volume
0.32086E+02 ppm1
7.735
ppm2
4.346

ASSI {15081}

((segid “BrD” and resid 35 and name HN))

((segid “BrD” and resid 34 and name HB1))

3.800
3.600
1.700 peak
15081
weight
0.10000E+01 volume
0.61308E+02 ppm1
7.734
ppm2
4.079

ASSI {15111}

((segid “BrD” and resid 34 and name HN))

(segid “BrD” and resid 81 and name HG2 %)

4.700
4.700
0.800 peak
15111
weight
0.10000E+01 volume
0.17971E+02 ppm1
8.178
ppm2
0.756

ASSI {15131}

((segid “BrD” and resid 32 and name HN))

((segid “BrD” and resid 33 and name HG1))

4.400
5.400
0.100 peak
15131
weight
0.10000E+01 volume
0.80093E+01 ppm1
7.739
ppm2
0.859

ASSI {15141}

((segid “BrD” and resid 31 and name HN))

((segid “BrD” and resid 28 and name HN))

3.200
2.600
2.300 peak
15141
weight
0.10000E+01 volume
0.16166E+03 ppm1
8.480
ppm2
8.159

OR {15141}

((segid “BrD” and resid 31 and name HN))

((segid “BrD” and resid 28 and name HE1))

ASSI {15161}

((segid “BrD” and resid 30 and name HN))

(segid “BrD” and resid 31 and name HB %)

3.800
3.600
1.700 peak
15161
weight
0.10000E+01 volume
0.65201E+02 ppm1
12.276
ppm2
2.299

ASSI {15171}

((segid “BrD” and resid 30 and name HN))

(segid “BrD” and resid 102 and name HD1 %)

3.900
3.800
1.600 peak
15171
weight
0.10000E+01 volume
0.51602E+02 ppm1
12.275
ppm2
1.315

ASSI {15191}

((segid “BrD” and resid 29 and name HN))

((segid “BrD” and resid 31 and name HN))

5.000
5.000
0.500 peak
15191
weight
0.10000E+01 volume
0.12673E+02 ppm1
9.152
ppm2
5.470

ASSI {15201}

((segid “BrD” and resid 29 and name HN))

((segid “BrD” and resid 30 and name HB1))

4.300
4.300
1.200 peak
15201
weight
0.10000E+01 volume
0.29023E+02 ppm1
9.151
ppm2
4.941

ASSI {15211}

((segid “BrD” and resid 29 and name HN))

(segid “BrD” and resid 101 and name HD1 %)

5.000
5.000
0.500 peak
15211
weight
0.10000E+01 volume
0.12825E+02 ppm1
9.153
ppm2
1.558

ASSI {15261}

((segid “BrD” and resid 27 and name HN))

((segid “BrD” and resid 28 and name HB1))

4.400
4.400
1.100 peak
15261
weight
0.10000E+01 volume
0.27022E+02 ppm1
8.169
ppm2
3.575

ASSI {15291}

((segid “BrD” and resid 26 and name HN))

((segid “BrD” and resid 24 and name HN))

3.500
3.100
2.000 peak
15291
weight
0.10000E+01 volume
0.10602E+03 ppm1
9.196
ppm2
8.655

ASSI {15311}

((segid “BrD” and resid 25 and name HN))

((segid “BrD” and resid 24 and name HE22))

4.900
4.900
0.600 peak
15311
weight
0.10000E+01 volume
0.14311E+02 ppm1
9.133
ppm2
7.489

ASSI {15361}

((segid “BrD” and resid 24 and name HN))

((segid “BrD” and resid 24 and name HE21))

4.000
4.000
1.500 peak
15361
weight
0.10000E+01 volume
0.49074E+02 ppm1
8.659
ppm2
7.616

ASSI {15381}

((segid “BrD” and resid 19 and name HN))

(segid “BrD” and resid 75 and name HE %)

5.500
5.500
0.000 peak
15381
weight
0.10000E+01 volume
0.38565E+01 ppm1
9.187
ppm2
2.654

ASSI {15391}

((segid “BrD” and resid 19 and name HN))

((segid “BrD” and resid 63 and name HG))

4.500
4.500
1.000 peak
15391
weight
0.10000E+01 volume
0.24115E+02 ppm1
9.188
ppm2
2.454

ASSI {15401}

((segid “BrD” and resid 18 and name HN))

((segid “BrD” and resid 21 and name HN))

3.900
3.800
2.600 peak
15401
weight
0.10000E+01 volume
0.53379E+02 ppm1
9.072
ppm2
8.558

ASSI {15421}

((segid “BrD” and resid 17 and name HN))

((segid “BrD” and resid 16 and name HN))

2.800
2.000
2.000 peak
15421
weight
0.10000E+01 volume
0.36762E+03 ppm1
8.669
ppm2
8.780

ASSI {15441}

((segid “BrD” and resid 17 and name HN))

((segid “BrD” and resid 20 and name HN))

3.500
3.100
2.000 peak
15441
weight
0.10000E+01 volume
0.95968E+02 ppm1
8.668
ppm2
8.184

ASSI {15481}

((segid “BrD” and resid 15 and name HN))

(segid “BrD” and resid 18 and name HD1 %)

5.500
5.500
0.000 peak
15481
weight
0.10000E+01 volume
0.62753E+01 ppm1
8.599
ppm2
1.069

ASSI {15511}

((segid “BrD” and resid 12 and name HN))

((segid “BrD” and resid 10 and name HA))

3.900
3.800
1.600 peak
15511
weight
0.10000E+01 volume
0.54637E+02 ppm1
9.023
ppm2
5.464

ASSI {15531}

((segid “BrD” and resid 10 and name HN))

((segid “BrD” and resid 8 and name HD2))

5.200
5.200
0.300 peak
15531
weight
0.10000E+01 volume
0.99597E+01 ppm1
8.885
ppm2
4.288

ASSI {15551}

((segid “BrD” and resid 7 and name HN))

((segid “BrD” and resid 8 and name HD2))

4.900
4.900
0.600 peak
15551
weight
0.10000E+01 volume
0.14339E+02 ppm1
8.924
ppm2
4.281

ASSI {15631}

((segid “BrD” and resid 32 and name HE1))

((segid “BrD” and resid 33 and name HD2))

3.800
3.600
1.700 peak
15631
weight
0.10000E+01 volume
0.61547E+02 ppm1
11.082
ppm2
2.167

ASSI {15641}

((segid “BrD” and resid 67 and name HN))

((segid “BrD” and resid 62 and name HA))

4.600
4.600
0.900 peak
15641
weight
0.10000E+01 volume
0.20420E+02 ppm1
8.832
ppm2
4.471

ASSI {27052}

((segid “BrD” and resid 89 and name HB1))

((segid “BrD” and resid 91 and name HD1))

3.600
3.200
1.900 peak
27052
weight
0.11000E+01 volume
0.39185E+02 ppm1
3.669
ppm2
4.556

ASSI {27062}

((segid “BrD” and resid 89 and name HB2))

((segid “BrD” and resid 91 and name HD1))

3.700
3.400
1.800 peak
27062
weight
0.11000E+01 volume
0.32055E+02 ppm1
3.473
ppm2
4.556

ASSI {27072}

((segid “BrD” and resid 89 and name HB2))

((segid “BrD” and resid 91 and name HD2))

3.400
2.900
2.100 peak
27072
weight
0.11000E+01 volume
0.54263E+02 ppm1
3.473
ppm2
4.411

ASSI {26992}

((segid “BrD” and resid 89 and name HA))

((segid “BrD” and resid 91 and name HG1))

3.400
2.900
2.100 peak
26992
weight
0.11000E+01 volume
0.54091E+02 ppm1
5.642
ppm2
2.792

OR {26992}

((segid “BrD” and resid 89 and name HA))

((segid “BrD” and resid 91 and name HG2))

ASSI {26732}

((segid “BrD” and resid 94 and name HG1))

(segid “BrD” and resid 95 and name HD %)

3.300
2.700
2.200 peak
26732
weight
0.11000E+01 volume
0.57563E+02 ppm1
3.127
ppm2
7.505

OR {26732}

((segid “BrD” and resid 94 and name HG2))

(segid “BrD” and resid 95 and name HD %)

ASSI {26822}

((segid “BrD” and resid 94 and name HB2))

(segid “BrD” and resid 95 and name HD %)

3.000
2.200
2.200 peak
26822
weight
0.11000E+01 volume
0.10961E+03 ppm1
2.733
ppm2
7.506

OR {26822}

((segid “BrD” and resid 94 and name HB1))

(segid “BrD” and resid 95 and name HD %)

ASSI {19122}

(segid “BrD” and resid 43 and name HB %)

(segid “BrD” and resid 47 and name HE %)

3.900
3.800
1.600 peak
19122
weight
0.11000E+01 volume
0.23047E+02 ppm1
1.697
ppm2
7.267

ASSI {2}

((segid “BrD” and resid 93 and name HA))

((segid “BrD” and resid 93 and name HB2))

2.100
1.100
1.100 peak
2
weight
0.11000E+01 volume
0.10291E+04 ppm1
5.003
ppm2
4.766

ASSI {22}

((segid “BrD” and resid 108 and name HB1))

((segid “BrD” and resid 108 and name HA))

1.800
0.800
0.800 peak
22
weight
0.11000E+01 volume
0.21120E+04 ppm1
4.603
ppm2
4.801

ASSI {32}

((segid “BrD” and resid 70 and name HA))

((segid “BrD” and resid 70 and name HB1))

2.500
1.600
1.600 peak
32
weight
0.11000E+01 volume
0.29221E+03 ppm1
5.344
ppm2
4.786

ASSI {62}

((segid “BrD” and resid 70 and name HB2))

((segid “BrD” and resid 70 and name HA))

2.500
1.600
1.600 peak
62
weight
0.11000E+01 volume
0.30042E+03 ppm1
4.360
ppm2
5.360

ASSI {72}

((segid “BrD” and resid 20 and name HA))

((segid “BrD” and resid 20 and name HB1))

2.200
1.100
1.100 peak
72
weight
0.11000E+01 volume
0.10650E+04 ppm1
4.901
ppm2
4.670

ASSI {92}

((segid “BrD” and resid 27 and name HA))

((segid “BrD” and resid 27 and name HB1))

2.100
1.100
1.100 peak
92
weight
0.11000E+01 volume
0.83585E+03 ppm1
5.050
ppm2
4.617

ASSI {112}

((segid “BrD” and resid 38 and name HA))

(segid “BrD” and resid 38 and name HG2 %)

2.600
1.700
1.700 peak
112
weight
0.11000E+01 volume
0.24356E+03 ppm1
4.162
ppm2
0.792

ASSI {132}

((segid “BrD” and resid 38 and name HB))

(segid “BrD” and resid 38 and name HG1 %)

2.400
1.400
1.400 peak
132
weight
0.11000E+01 volume
0.41156E+03 ppm1
1.751
ppm2
1.076

ASSI {152}

(segid “BrD” and resid 38 and name HG2 %)

((segid “BrD” and resid 38 and name HB))

2.300
1.300
1.300 peak
152
weight
0.11000E+01 volume
0.59973E+03 ppm1
0.808
ppm2
1.776

ASSI {232}

((segid “BrD” and resid 81 and name HB))

(segid “BrD” and resid 81 and name HG1 %)

2.400
1.400
1.400 peak
232
weight
0.11000E+01 volume
0.37056E+03 ppm1
2.042
ppm2
1.079

ASSI {242}

((segid “BrD” and resid 81 and name HB))

(segid “BrD” and resid 81 and name HG2 %)

2.300
1.300
1.300 peak
242
weight
0.11000E+01 volume
0.47548E+03 ppm1
2.042
ppm2
0.759

ASSI {262}

((segid “BrD” and resid 15 and name HA))

((segid “BrD” and resid 15 and name HB1))

2.700
1.800
1.800 peak
262
weight
0.11000E+01 volume
0.20830E+03 ppm1
4.607
ppm2
3.811

ASSI {322}

((segid “BrD” and resid 46 and name HB1))

((segid “BrD” and resid 46 and name HA))

2.700
1.800
1.800 peak
322
weight
0.11000E+01 volume
0.21305E+03 ppm1
3.274
ppm2
4.143

ASSI {332}

((segid “BrD” and resid 46 and name HB2))

((segid “BrD” and resid 46 and name HA))

2.700
1.800
1.800 peak
332
weight
0.11000E+01 volume
0.21514E+03 ppm1
3.077
ppm2
4.143

ASSI {352}

((segid “BrD” and resid 47 and name HA))

((segid “BrD” and resid 47 and name HB2))

2.700
1.800
1.800 peak
352
weight
0.11000E+01 volume
0.22249E+03 ppm1
4.704
ppm2
3.395

ASSI {362}

((segid “BrD” and resid 47 and name HB1))

((segid “BrD” and resid 47 and name HA))

2.600
1.700
1.700 peak
362
weight
0.11000E+01 volume
0.23254E+03 ppm1
3.815
ppm2
4.721

ASSI {382}

((segid “BrD” and resid 67 and name HA))

((segid “BrD” and resid 67 and name HB1))

2.400
1.400
1.400 peak
382
weight
0.11000E+01 volume
0.45818E+03 ppm1
4.654
ppm2
3.572

ASSI {392}

((segid “BrD” and resid 67 and name HA))

((segid “BrD” and resid 67 and name HB2))

2.500
1.600
1.600 peak
392
weight
0.11000E+01 volume
0.31584E+03 ppm1
4.653
ppm2
2.669

ASSI {422}

((segid “BrD” and resid 68 and name HB1))

((segid “BrD” and resid 68 and name HA))

3.100
2.400
2.400 peak
422
weight
0.11000E+01 volume
0.94493E+02 ppm1
3.669
ppm2
5.143

ASSI {432}

((segid “BrD” and resid 68 and name HB2))

((segid “BrD” and resid 68 and name HA))

2.700
1.800
1.800 peak
432
weight
0.11000E+01 volume
0.18471E+03 ppm1
3.522
ppm2
5.143

ASSI {472}

((segid “BrD” and resid 88 and name HB1))

((segid “BrD” and resid 88 and name HA))

2.600
1.700
1.700 peak
472
weight
0.11000E+01 volume
0.28741E+03 ppm1
3.522
ppm2
4.989

ASSI {492}

((segid “BrD” and resid 95 and name HA))

((segid “BrD” and resid 95 and name HB2))

2.600
1.700
1.700 peak
492
weight
0.11000E+01 volume
0.23932E+03 ppm1
4.459
ppm2
3.361

ASSI {502}

((segid “BrD” and resid 95 and name HB1))

((segid “BrD” and resid 95 and name HA))

2.600
1.700
1.700 peak
502
weight
0.11000E+01 volume
0.28555E+03 ppm1
3.619
ppm2
4.444

ASSI {522}

((segid “BrD” and resid 96 and name HA))

((segid “BrD” and resid 96 and name HB1))

2.800
2.000
2.000 peak
522
weight
0.11000E+01 volume
0.17185E+03 ppm1
4.409
ppm2
3.998

ASSI {532}

((segid “BrD” and resid 96 and name HA))

((segid “BrD” and resid 96 and name HB2))

2.800
2.000
2.000 peak
532
weight
0.11000E+01 volume
0.16898E+03 ppm1
4.409
ppm2
3.118

ASSI {562}

((segid “BrD” and resid 31 and name HA))

(segid “BrD” and resid 31 and name HB %)

2.500
1.600
1.600 peak
562
weight
0.11000E+01 volume
0.36354E+03 ppm1
5.000
ppm2
2.315

ASSI {592}

(segid “BrD” and resid 43 and name HB %)

((segid “BrD” and resid 43 and name HA))

2.200
1.200
1.200 peak
592
weight
0.11000E+01 volume
0.76123E+03 ppm1
1.700
ppm2
5.539

ASSI {612}

(segid “BrD” and resid 76 and name HB %)

((segid “BrD” and resid 76 and name HA))

2.100
1.100
1.100 peak
612
weight
0.11000E+01 volume
0.87848E+03 ppm1
2.093
ppm2
4.687

ASSI {632}

(segid “BrD” and resid 99 and name HB %)

((segid “BrD” and resid 99 and name HA))

2.000
1.000
1.000 peak
632
weight
0.11000E+01 volume
0.10742E+04 ppm1
2.190
ppm2
4.440

ASSI {642}

((segid “BrD” and resid 113 and name HA))

(segid “BrD” and resid 113 and name HB %)

2.100
1.100
1.100 peak
642
weight
0.11000E+01 volume
0.84264 E+03 ppm1
4.901
ppm2
1.979

ASSI {662}

((segid “BrD” and resid 34 and name HA))

((segid “BrD” and resid 34 and name HB1))

2.600
1.700
1.700 peak
662
weight
0.11000E+01 volume
0.27701E+03 ppm1
5.542
ppm2
4.107

ASSI {672}

((segid “BrD” and resid 34 and name HA))

((segid “BrD” and resid 34 and name HB2))

2.800
2.000
2.000 peak
672
weight
0.11000E+01 volume
0.16922E+03 ppm1
5.542
ppm2
3.146

ASSI {702}

((segid “BrD” and resid 74 and name HA))

((segid “BrD” and resid 74 and name HB1))

3.000
2.200
2.200 peak
702
weight
0.11000E+01 volume
0.10996E+03 ppm1
4.359
ppm2
3.563

ASSI {712}

((segid “BrD” and resid 74 and name HA))

((segid “BrD” and resid 74 and name HB2))

3.100
2.400
2.400 peak
712
weight
0.11000E+01 volume
0.88126E+02 ppm1
4.361
ppm2
3.000

ASSI {742}

((segid “BrD” and resid 82 and name HA))

((segid “BrD” and resid 82 and name HB1)

2.800
2.000
2.000 peak
742
weight
0.11000E+01 volume
0.15835E+03 ppm1
4.755
ppm2
3.695

ASSI {752}

((segid “BrD” and resid 82 and name HA))

((segid “BrD” and resid 82 and name HB2))

2.700
1.800
1.800 peak
752
weight
0.11000E+01 volume
0.18532E+03 ppm1
4.755
ppm2
3.573

ASSI {792}

((segid “BrD” and resid 106 and name HA))

((segid “BrD” and resid 106 and name HB1))

2.700
1.800
1.800 peak
792
weight
0.11000E+01 volume
0.19130E+03 ppm1
4.558
ppm2
3.916

ASSI {802}

((segid “BrD” and resid 106 and name HA))

((segid “BrD” and resid 106 and name HB2))

2.600
1.700
1.700 peak
802
weight
0.11000E+01 volume
0.25966E+03 ppm1
4.557
ppm2
3.702

ASSI {842}

((segid “BrD” and resid 107 and name HB1))

((segid “BrD” and resid 107 and name HA))

2.200
1.200
1.200 peak
842
weight
0.11000E+01 volume
0.64742E+03 ppm1
3.671
ppm2
4.435

ASSI {872}

((segid “BrD” and resid 65 and name HA))

((segid “BrD” and resid 65 and name HB1))

2.600
1.700
1.700 peak
872
weight
0.11000E+01 volume
0.23368E+03 ppm1
5.398
ppm2
3.621

ASSI {882}

((segid “BrD” and resid 65 and name HA))

((segid “BrD” and resid 65 and name HB2))

2.900
2.100
2.100 peak
882
weight
0.11000E+01 volume
0.14380E+03 ppm1
5.396
ppm2
3.369

ASSI {892}

((segid “BrD” and resid 84 and name HA))

((segid “BrD” and resid 84 and name HB1))

2.700
1.800
1.800 peak
892
weight
0.11000E+01 volume
0.20950E+03 ppm1
4.904
ppm2
3.606

ASSI {902}

((segid “BrD” and resid 84 and name HA))

((segid “BrD” and resid 84 and name HB2))

2.600
1.700
1.700 peak
902
weight
0.11000E+01 volume
0.23639E+03 ppm1
4.904
ppm2
3.272

ASSI {942}

((segid “BrD” and resid 100 and name HB2))

((segid “BrD” and resid 100 and name HA))

2.300
1.300
1.300 peak
942
weight
0.11000E+01 volume
0.53744E+03 ppm1
3.424
ppm2
4.949

ASSI {952}

((segid “BrD” and resid 10 and name HA))

((segid “BrD” and resid 10 and name HB1))

3.200
2.600
2.300 peak
952
weight
0.11000E+01 volume
0.81254E+02 ppm1
5.478
ppm2
3.354

ASSI {972}

((segid “BrD” and resid 12 and name HA))

((segid “BrD” and resid 12 and name HB1))

2.700
1.800
1.800 peak
972
weight
0.11000E+01 volume
0.22766E+03 ppm1
5.297
ppm2
3.434

ASSI {992}

((segid “BrD” and resid 77 and name HA))

((segid “BrD” and resid 77 and name HB1))

2.600
1.600
1.600 peak
992
weight
0.11000E+01 volume
0.33274E+03 ppm1
4.951
ppm2
3.319

ASSI {1032}

((segid “BrD” and resid 117 and name HB2))

((segid “BrD” and resid 117 and name HA))

2.700
1.800
1.800 peak
1032
weight
0.11000E+01 volume
0.21830E+03 ppm1
3.127
ppm2
5.167

ASSI {1042}

((segid “BrD” and resid 117 and name HB1))

((segid “BrD” and resid 117 and name HA))

2.600
1.700
1.700 peak
1042
weight
0.11000E+01 volume
0.23430E+03 ppm1
3.301
ppm2
5.167

ASSI {1052}

((segid “BrD” and resid 89 and name HA))

((segid “BrD” and resid 89 and name HB1))

2.900
2.100
2.100 peak
1052
weight
0.11000E+01 volume
0.12958E+03 ppm1
5.641
ppm2
3.668

ASSI {1062}

((segid “BrD” and resid 89 and name HA))

((segid “BrD” and resid 89 and name HB2))

2.800
2.000
2.000 peak
1062
weight
0.11000E+01 volume
0.16727E+03 ppm1
5.641
ppm2
3.491

ASSI {1092}

((segid “BrD” and resid 18 and name HA))

((segid “BrD” and resid 18 and name HG))

3.100
2.400
2.400 peak
1092
weight
0.11000E+01 volume
0.85824E+02 ppm1
3.866
ppm2
2.277

ASSI {1132}

(segid “BrD” and resid 18 and name HD2 %)

((segid “BrD” and resid 18 and name HA))

2.100
1.100
1.100 peak
1132
weight
0.11000E+01 volume
0.86347E+03 ppm1
0.415
ppm2
3.883

ASSI {1142}

(segid “BrD” and resid 18 and name HD2 %)

((segid “BrD” and resid 18 and name HG))

2.500
1.600
1.600 peak
1142
weight
0.11000E+01 volume
0.31482E+03 ppm1
0.419
ppm2
2.274

ASSI {1162}

((segid “BrD” and resid 78 and name HA))

((segid “BrD” and resid 78 and name HB2))

2.500
1.600
1.600 peak
1162
weight
0.11000E+01 volume
0.33654E+03 ppm1
3.968
ppm2
1.044

ASSI {1172}

((segid “BrD” and resid 78 and name HA))

((segid “BrD” and resid 78 and name HG))

2.900
2.100
2.100 peak
1172
weight
0.11000E+01 volume
0.14454E+03 ppm1
3.967
ppm2
1.270

ASSI {1202}

((segid “BrD” and resid 78 and name HB1))

((segid “BrD” and resid 78 and name HA))

2.700
1.800
1.800 peak
1202
weight
0.11000E+01 volume
0.21843E+03 ppm1
1.305
ppm2
4.001

ASSI {1212}

((segid “BrD” and resid 78 and name HB1))

(segid “BrD” and resid 78 and name HD1 %)

2.900
2.100
2.100 peak
1212
weight
0.11000E+01 volume
0.13310E+03 ppm1
1.305
ppm2
0.776

ASSI {1222}

((segid “BrD” and resid 78 and name HB1))

(segid “BrD” and resid 78 and name HD2 %)

2.700
1.800
1.800 peak
1222
weight
0.11000E+01 volume
0.22009E+03 ppm1
1.305
ppm2
0.673

ASSI {1262}

((segid “BrD” and resid 78 and name HG))

((segid “BrD” and resid 78 and name HB2))

2.400
1.400
1.400 peak
1262
weight
0.11000E+01 volume
0.41554E+03 ppm1
1.254
ppm2
1.043

ASSI {1282}

(segid “BrD” and resid 78 and name HD1 %)

((segid “BrD” and resid 78 and name HA))

2.400
1.400
1.400 peak
1282
weight
0.11000E+01 volume
0.38399E+03 ppm1
0.761
ppm2
3.998

ASSI {1302}

(segid “BrD” and resid 78 and name HD1 %)

((segid “BrD” and resid 78 and name HB2))

2.600
1.700
1.700 peak
1302
weight
0.11000E+01 volume
0.25846E+03 ppm1
0.761
ppm2
1.038

ASSI {1312}

(segid “BrD” and resid 78 and name HD1 %)

((segid “BrD” and resid 78 and name HG))

2.200
1.200
1.200 peak
1312
weight
0.11000E+01 volume
0.70030E+03 ppm1
0.761
ppm2
1.270

ASSI {1322}

((segid “BrD” and resid 115 and name HA))

((segid “BrD” and resid 115 and name HB1))

2.200
1.200
1.200 peak
1322
weight
0.11000E+01 volume
0.70481E+03 ppm1
4.807
ppm2
2.182

ASSI {1352}

(segid “BrD” and resid 115 and name HD1 %)

((segid “BrD” and resid 115 and name HA))

3.300
2.700
2.200 peak
1352
weight
0.11000E+01 volume
0.57522E+02 ppm1
1.352
ppm2
4.829

ASSI {1362}

(segid “BrD” and resid 115 and name HD1 %)

((segid “BrD” and resid 115 and name HG))

2.400
1.400
1.400 peak
1362
weight
0.11000E+01 volume
0.44618E+03 ppm1
1.352
ppm2
2.148

ASSI {1382}

((segid “BrD” and resid 116 and name HB))

((segid “BrD” and resid 116 and name HA))

2.700
1.800
1.800 peak
1382
weight
0.11000E+01 volume
0.19754E+03 ppm1
2.411
ppm2
4.823

ASSI {1402}

((segid “BrD” and resid 116 and name HB))

((segid “BrD” and resid 116 and name HG12))

2.200
1.200
1.200 peak
1402
weight
0.11000E+01 volume
0.69345E+03 ppm1
2.409
ppm2
1.555

ASSI {1422}

((segid “BrD” and resid 116 and name HG11))

((segid “BrD” and resid 116 and name HB))

2.500
1.600
1.600 peak
1422
weight
0.11000E+01 volume
0.30727E+03 ppm1
1.920
ppm2
2.418

ASSI {1432}

(segid “BrD” and resid 116 and name HG2 %)

((segid “BrD” and resid 116 and name HA))

2.500
1.600
1.600 peak
1432
weight
0.11000E+01 volume
0.32118E+03 ppm1
1.403
ppm2
4.823

ASSI {1442}

(segid “BrD” and resid 116 and name HG2 %)

((segid “BrD” and resid 116 and name HB))

2.300
1.300
1.300 peak
1442
weight
0.11000E+01 volume
0.50062E+03 ppm1
1.403
ppm2
2.419

ASSI {1452}

(segid “BrD” and resid 116 and name HD1 %)

((segid “BrD” and resid 116 and name HG12))

2.100
1.100
1.100 peak
1452
weight
0.11000E+01 volume
0.85569E+03 ppm1
1.399
ppm2
1.554

ASSI {1462}

(segid “BrD” and resid 116 and name HD1 %)

((segid “BrD” and resid 116 and name HG11))

2.500
1.600
1.600 peak
1462
weight
0.11000E+01 volume
0.33669E+03 ppm1
1.399
ppm2
1.919

ASSI {1512}

((segid “BrD” and resid 110 and name HB))

((segid “BrD” and resid 110 and name HA))

2.400
1.400
1.400 peak
1512
weight
0.11000E+01 volume
0.40202E+03 ppm1
2.338
ppm2
4.418

ASSI {1542}

(segid “BrD” and resid 110 and name HG2 %)

((segid “BrD” and resid 110 and name HA))

2.200
1.200
1.200 peak
1542
weight
0.11000E+01 volume
0.74299E+03 ppm1
1.251
ppm2
4.418

ASSI {1552}

(segid “BrD” and resid 110 and name HG2 %)

((segid “BrD” and resid 110 and name HB))

2.200
1.200
1.200 peak
1552
weight
0.11000E+01 volume
0.70453E+03 ppm1
1.252
ppm2
2.361

ASSI {1562}

(segid “BrD” and resid 110 and name HG2 %)

((segid “BrD” and resid 110 and name HG11))

2.600
1.700
1.700 peak
1562
weight
0.11000E+01 volume
0.27736E+03 ppm1
1.253
ppm2
1.718

ASSI {1572}

(segid “BrD” and resid 110 and name HG2 %)

(segid “BrD” and resid 110 and name HD1 %)

2.000
1.000
1.000 peak
2572
weight
0.11000E+01 volume
0.13448E+04 ppm1
1.254
ppm2
1.141

ASSI {1602}

(segid “BrD” and resid 110 and name HD1 %)

((segid “BrD” and resid 110 and name HA))

2.200
1.200
1.200 peak
1602
weight
0.11000E+01 volume
0.74125E+03 ppm1
1.154
ppm2
4.420

ASSI {1612}

(segid “BrD” and resid 110 and name HD1 %)

((segid “BrD” and resid 110 and name HB))

2.200
1.200
1.200 peak
1612
weight
0.11000E+01 volume
0.75209E+03 ppm1
1.154
ppm2
2.361

ASSI {1622}

(segid “BrD” and resid 110 and name HD1 %)

((segid “BrD” and resid 110 and name HG11))

2.300
1.300
1.300 peak
1622
weight
0.11000E+01 volume
0.59823E+03 ppm1
1.154
ppm2
1.718

ASSI {1682}

(segid “BrD” and resid 50 and name HD1 %)

((segid “BrD” and resid 50 and name HB))

2.800
2.000
2.000 peak
1682
weight
0.11000E+01 volume
0.14989E+03 ppm1
1.154
ppm2
1.826

ASSI {1692}

(segid “BrD” and resid 50 and name HD1 %)

((segid “BrD” and resid 50 and name HG11))

2.300
1.300
1.300 peak
1692
weight
0.11000E+01 volume
0.49711E+03 ppm1
1.154
ppm2
1.408

ASSI {1702}

(segid “BrD” and resid 50 and name HD1 %)

((segid “BrD” and resid 50 and name HG12))

2.400
1.400
1.400 peak
1702
weight
0.11000E+01 volume
0.46662E+03 ppm1
1.155
ppm2
0.838

ASSI {1712}

(segid “BrD” and resid 50 and name HD1 %)

(segid “BrD” and resid 50 and name HG2 %)

2.400
1.400
1.400 peak
1712
weight
0.11000E+01 volume
0.45248E+03 ppm1
1.154
ppm2
0.994

ASSI {1742}

(segid “BrD” and resid 50 and name HG2 %)

((segid “BrD” and resid 50 and name HA))

2.400
1.400
1.400 peak
1742
weight
0.11000E+01 volume
0.43004E+03 ppm1
1.006
ppm2
4.518

ASSI {1752}

(segid “BrD” and resid 50 and name HG2 %)

((segid “BrD” and resid 50 and name HB))

2.200
1.200
1.200 peak
1752
weight
0.11000E+01 volume
0.61685E+03 ppm1
1.006
ppm2
1.825

ASSI {1762}

(segid “BrD” and resid 50 and name HG2 %)

((segid “BrD” and resid 50 and name HG11))

2.800
2.000
2.000 peak
1762
weight
0.11000E+01 volume
0.16808E+03 ppm1
1.008
ppm2
1.409

ASSI {1772}

(segid “BrD” and resid 50 and name HG2 %)

((segid “BrD” and resid 50 and name HG12))

2.400
1.400
1.400 peak
1772
weight
0.11000E+01 volume
0.40990E+03 ppm1
1.006
ppm2
0.838

ASSI {1792}

((segid “BrD” and resid 101 and name HA))

(segid “BrD” and resid 101 and name HD1 %)

2.700
1.800
1.800 peak
1792
weight
0.11000E+01 volume
0.20691E+03 ppm1
4.261
ppm2
1.578

ASSI {1812}

((segid “BrD” and resid 101 and name HB))

(segid “BrD” and resid 101 and name HD1 %)

2.300
1.300
1.300 peak
1812
weight
0.11000E+01 volume
0.50350E+03 ppm1
2.537
ppm2
1.578

ASSI {1852}

((segid “BrD” and resid 101 and name HG11))

(segid “BrD” and resid 101 and name HG2 %)

2.600
1.700
1.700 peak
1852
weight
0.11000E+01 volume
0.23958E+03 ppm1
2.444
ppm2
1.609

ASSI {1872}

(segid “BrD” and resid 101 and name HG2 %)

((segid “BrD” and resid 101 and name HA))

2.400
1.400
1.400 peak
1872
weight
0.11000E+01 volume
0.44349E+03 ppm1
1.596
ppm2
4.265

ASSI {1882}

(segid “BrD” and resid 101 and name HG2 %)

((segid “BrD” and resid 101 and name HB))

2.200
1.200
1.200 peak
1882
weight
0.11000E+01 volume
0.72150E+03 ppm1
1.600
ppm2
2.536

ASSI {1892}

(segid “BrD” and resid 101 and name HG2 %)

((segid “BrD” and resid 101 and name HG12))

2.300
1.300
1.300 peak
1892
weight
0.11000E+01 volume
0.60307E+03 ppm1
1.598
ppm2
1.806

ASSI {1922}

(segid “BrD” and resid 101 and name HD1 %)

((segid “BrD” and resid 101 and name HG11))

2.300
1.300
1.300 peak
1922
weight
0.11000E+01 volume
0.50142E+03 ppm1
1.550
ppm2
2.467

ASSI {1932}

(segid “BrD” and resid 101 and name HD1 %)

((segid “BrD” and resid 101 and name HG12))

2.200
1.200
1.200 peak
1932
weight
0.11000E+01 volume
0.71179E+03 ppm1
1.550
ppm2
1.806

ASSI {1952}

((segid “BrD” and resid 21 and name HA))

(segid “BrD” and resid 21 and name HD1 %)

2.800
2.000
2.000 peak
1952
weight
0.11000E+01 volume
0.16491E+03 ppm1
4.359
ppm2
1.221

ASSI {1962}

((segid “BrD” and resid 21 and name HB))

(segid “BrD” and resid 21 and name HG2 %)

3.100
2.400
2.400 peak
1962
weight
0.11000E+01 volume
0.84008E+02 ppm1
2.487
ppm2
1.588

ASSI {1982}

((segid “BrD” and resid 21 and name HG12))

(segid “BrD” and resid 21 and name HD1 %)

2.500
1.600
1.600 peak
1982
weight
0.11000E+01 volume
0.32478E+03 ppm1
1.648
ppm2
1.222

ASSI {2012}

(segid “BrD” and resid 21 and name HG2 %)

((segid “BrD” and resid 21 and name HG11))

2.600
1.700
1.700 peak
2012
weight
0.11000E+01 volume
0.24142E+03 ppm1
1.598
ppm2
2.357

ASSI {2022}

(segid “BrD” and resid 21 and name HD1 %)

((segid “BrD” and resid 21 and name HB))

2.500
1.600
1.600 peak
2022
weight
0.11000E+01 volume
0.29587E+03 ppm1
1.206
ppm2
2.508

ASSI {2032}

(segid “BrD” and resid 21 and name HD1 %)

((segid “BrD” and resid 21 and name HG11))

2.400
1.400
1.400 peak
2032
weight
0.11000E+01 volume
0.44094E+03 ppm1
1.205
ppm2
2.355

ASSI {2042}

(segid “BrD” and resid 21 and name HD1 %)

(segid “BrD” and resid 21 and name HG2 %)

2.300
1.300
1.300 peak
2042
weight
0.11000E+01 volume
0.49870E+03 ppm1
1.205
ppm2
1.588

ASSI {2052}

((segid “BrD” and resid 112 and name HA))

((segid “BrD” and resid 112 and name HG1))

2.700
1.800
1.800 peak
2052
weight
0.11000E+01 volume
0.21076E+03 ppm1
4.607
ppm2
2.942

ASSI {2072}

((segid “BrD” and resid 112 and name HB1))

((segid “BrD” and resid 112 and name HG1))

2.300
1.300
1.300 peak
2072
weight
0.11000E+01 volume
0.51152E+03 ppm1
2.684
ppm2
2.947

ASSI {2092}

((segid “BrD” and resid 94 and name HA))

((segid “BrD” and resid 94 and name HG1))

2.700
1.800
1.800 peak
2092
weight
0.11000E+01 volume
0.21281E+03 ppm1
4.830
ppm2
3.127

ASSI {2112}

((segid “BrD” and resid 92 and name HG1))

((segid “BrD” and resid 92 and name HA))

2.400
1.400
1.400 peak
2112
weight
0.11000E+01 volume
0.46860E+03 ppm1
2.816
ppm2
4.798

ASSI {2142}

((segid “BrD” and resid 87 and name HG1))

((segid “BrD” and resid 87 and name HA))

2.900
2.100
2.100 peak
2142
weight
0.11000E+01 volume
0.13435E+03 ppm1
3.030
ppm2
4.874

ASSI {2152}

((segid “BrD” and resid 87 and name HG2))

((segid “BrD” and resid 87 and name HA))

2.500
1.600
1.600 peak
2152
weight
0.11000E+01 volume
0.35437E+03 ppm1
2.782
ppm2
4.875

ASSI {2172}

((segid “BrD” and resid 61 and name HG1))

((segid “BrD” and resid 61 and name HA))

2.300
1.300
1.300 peak
2172
weight
0.11000E+01 volume
0.47499E+03 ppm1
2.980
ppm2
4.670

ASSI {2182}

((segid “BrD” and resid 61 and name HG2))

((segid “BrD” and resid 61 and name HA))

2.800
2.000
2.000 peak
2182
weight
0.11000E+01 volume
0.17452E+03 ppm1
2.832
ppm2
4.670

ASSI {2202}

((segid “BrD” and resid 42 and name HG1))

((segid “BrD” and resid 42 and name HA))

2.400
1.400
1.400 peak
2202
weight
0.11000E+01 volume
0.43794E+03 ppm1
2.880
ppm2
5.049

ASSI {2222}

((segid “BrD” and resid 36 and name HG1))

((segid “BrD” and resid 36 and name HA))

2.600
1.700
1.700 peak
2222
weight
0.11000E+01 volume
0.28226E+03 ppm1
2.781
ppm2
5.445

ASSI {2252}

((segid “BrD” and resid 79 and name HG1))

((segid “BrD” and resid 79 and name HA))

2.600
1.700
1.700 peak
2252
weight
0.11000E+01 volume
0.27675E+03 ppm1
3.033
ppm2
4.417

ASSI {2262}

((segid “BrD” and resid 29 and name HA))

((segid “BrD” and resid 29 and name HB1))

2.000
1.000
1.000 peak
2262
weight
0.11000E+01 volume
0.11521E+04 ppm1
4.810
ppm2
2.738

ASSI {2272}

((segid “BrD” and resid 29 and name HG1))

((segid “BrD” and resid 29 and name HA))

2.600
1.700
1.700 peak
2272
weight
0.11000E+01 volume
0.24467E+03 ppm1
2.980
ppm2
4.810

ASSI {2302}

((segid “BrD” and resid 23 and name HG1))

((segid “BrD” and resid 23 and name HA))

2.500
1.600
1.600 peak
2302
weight
0.11000E+01 volume
0.32948E+03 ppm1
3.124
ppm2
4.638

ASSI {2312}

((segid “BrD” and resid 23 and name HG2))

((segid “BrD” and resid 23 and name HA))

2.400
1.400
1.400 peak
2312
weight
0.11000E+01 volume
0.37520E+03 ppm1
3.068
ppm2
4.638

ASSI {2322}

((segid “BrD” and resid 80 and name HD2))

((segid “BrD” and resid 80 and name HG1))

2.500
1.600
1.600 peak
2322
weight
0.11000E+01 volume
0.34874E+03 ppm1
3.913
ppm2
2.347

ASSI {2342}

((segid “BrD” and resid 80 and name HD2))

((segid “BrD” and resid 80 and name HB1))

2.800
2.000
2.000 peak
2342
weight
0.11000E+01 volume
0.17327E+03 ppm1
3.913
ppm2
2.573

ASSI {2372}

((segid “BrD” and resid 66 and name HA))

((segid “BrD” and resid 66 and name HD1))

2.700
1.800
1.800 peak
2372
weight
0.11000E+01 volume
0.22458E+03 ppm1
5.000
ppm2
3.670

ASSI {2382}

((segid “BrD” and resid 66 and name HG2))

((segid “BrD” and resid 66 and name HD1))

2.500
1.600
1.600 peak
2382
weight
0.11000E+01 volume
0.35872E+03 ppm1
2.140
ppm2
3.670

ASSI {2392}

((segid “BrD” and resid 9 and name HD1))

((segid “BrD” and resid 9 and name HG1))

2.300
1.300
1.300 peak
2392
weight
0.11000E+01 volume
0.81278E+03 ppm1
3.769
ppm2
2.279

ASSI {2432}

((segid “BrD” and resid 35 and name HG1))

((segid “BrD” and resid 35 and name HA))

2.900
2.100
2.100 peak
2432
weight
0.11000E+01 volume
0.13495E+03 ppm1
3.422
ppm2
4.901

ASSI {2442}

((segid “BrD” and resid 102 and name HB1))

((segid “BrD” and resid 102 and name HA))

2.700
1.800
1.800 peak
2442
weight
0.11000E+01 volume
0.22859E+03 ppm1
1.994
ppm2
4.282

ASSI {2452}

((segid “BrD” and resid 102 and name HB2))

((segid “BrD” and resid 102 and name HA))

2.700
1.800
1.800 peak
2452
weight
0.11000E+01 volume
0.18482E+03 ppm1
1.848
ppm2
4.280

ASSI {2462}

((segid “BrD” and resid 102 and name HB1))

(segid “BrD” and resid 102 and name HD1 %)

2.500
1.600
1.600 peak
2462
weight
0.11000E+01 volume
0.28966E+03 ppm1
1.992
ppm2
1.325

ASSI {2472}

((segid “BrD” and resid 102 and name HB2))

(segid “BrD” and resid 102 and name HD1 %)

2.500
1.600
1.600 peak
2472
weight
0.11000E+01 volume
0.33733E+03 ppm1
1.842
ppm2
1.325

ASSI {2532}

((segid “BrD” and resid 73 and name HA))

((segid “BrD” and resid 73 and name HB2))

2.500
1.600
1.600 peak
2532
weight
0.11000E+01 volume
0.31007E+03 ppm1
4.805
ppm2
2.482

ASSI {2542}

((segid “BrD” and resid 73 and name HA))

((segid “BrD” and resid 73 and name HG))

2.600
1.700
1.700 peak
2542
weight
0.11000E+01 volume
0.27034E+03 ppm1
4.805
ppm2
2.368

ASSI {2572}

((segid “BrD” and resid 73 and name HB2))

(segid “BrD” and resid 73 and name HD1 %)

2.400
1.400
1.400 peak
2572
weight
0.11000E+01 volume
0.37597E+03 ppm1
2.487
ppm2
1.539

ASSI {2582}

(segid “BrD” and resid 73 and name HD2 %)

((segid “BrD” and resid 73 and name HA))

2.200
1.200
1.200 peak
2582
weight
0.11000E+01 volume
0.64867E+03 ppm1
1.499
ppm2
4.827

ASSI {2592}

(segid “BrD” and resid 73 and name HD2 %)

((segid “BrD” and resid 73 and name HG))

2.100
1.100
1.100 peak
2592
weight
0.11000E+01 volume
0.88262E+03 ppm1
1.500
ppm2
2.367

ASSI {2602}

(segid “BrD” and resid 56 and name HD2 %)

((segid “BrD” and resid 56 and name HG))

2.200
1.200
1.200 peak
2602
weight
0.11000E+01 volume
0.64971E+03 ppm1
1.254
ppm2
2.328

ASSI {2612}

(segid “BrD” and resid 56 and name HD2 %)

((segid “BrD” and resid 56 and name HB1))

2.700
1.800
1.800 peak
2612
weight
0.11000E+01 volume
0.20000E+03 ppm1
1.254
ppm2
2.703

ASSI {2622}

(segid “BrD” and resid 56 and name HD2 %)

((segid “BrD” and resid 56 and name HA))

2.200
1.200
1.200 peak
2622
weight
0.11000E+01 volume
0.63602E+03 ppm1
1.253
ppm2
4.630

ASSI {2652}

((segid “BrD” and resid 22 and name HB1))

((segid “BrD” and resid 22 and name HA))

2.400
1.400
1.400 peak
2652
weight
0.11000E+01 volume
0.44257E+03 ppm1
2.682
ppm2
4.723

ASSI {2662}

((segid “BrD” and resid 22 and name HB2))

((segid “BrD” and resid 22 and name HA))

2.400
1.400
1.400 peak
2662
weight
0.11000E+01 volume
0.37194E+03 ppm1
2.287
ppm2
4.723

ASSI {2682}

(segid “BrD” and resid 22 and name HD2 %)

((segid “BrD” and resid 22 and name HA))

2.200
1.200
1.200 peak
2682
weight
0.11000E+01 volume
0.64884E+03 ppm1
1.599
ppm2
4.723

ASSI {2702}

((segid “BrD” and resid 63 and name HA))

((segid “BrD” and resid 63 and name HB1))

2.900
2.100
2.100 peak
2702
weight
0.11000E+01 volume
0.13727E+03 ppm1
5.296
ppm2
2.907

ASSI {2712}

((segid “BrD” and resid 63 and name HA))

((segid “BrD” and resid 63 and name HB2))

2.700
1.800
1.800 peak
2712
weight
0.11000E+01 volume
0.18645E+03 ppm1
5.296
ppm2
2.535

ASSI {2722}

((segid “BrD” and resid 63 and name HA))

((segid “BrD” and resid 63 and name HG))

2.900
2.100
2.100 peak
2722
weight
0.11000E+01 volume
0.13509E+03 ppm1
5.293
ppm2
2.423

ASSI {2732}

((segid “BrD” and resid 63 and name HA))

(segid “BrD” and resid 63 and name HD1 %)

2.700
1.800
1.800 peak
2732
weight
0.11000E+01 volume
0.22485E+03 ppm1
5.296
ppm2
1.649

ASSI {2742}

((segid “BrD” and resid 63 and name HA))

(segid “BrD” and resid 63 and name HD2 %)

3.300
2.700
2.200 peak
2742
weight
0.11000E+01 volume
0.65439E+02 ppm1
5.296
ppm2
1.490

ASSI {2752}

((segid “BrD” and resid 63 and name HB2))

(segid “BrD” and resid 63 and name HD1 %)

2.500
1.600
1.600 peak
2752
weight
0.11000E+01 volume
0.34992E+03 ppm1
2.538
ppm2
1.653

ASSI {2762}

((segid “BrD” and resid 63 and name HB2))

(segid “BrD” and resid 63 and name HD2 %)

2.700
1.800
1.800 peak
2762
weight
0.11000E+01 volume
0.19887E+03 ppm1
2.538
ppm2
1.491

ASSI {2772}

((segid “BrD” and resid 63 and name HB1))

(segid “BrD” and resid 63 and name HD1 %)

2.600
1.700
1.700 peak
2772
weight
0.11000E+01 volume
0.26127E+03 ppm1
2.883
ppm2
1.653

ASSI {2782}

((segid “BrD” and resid 63 and name HB1))

(segid “BrD” and resid 63 and name HD2 %)

2.600
1.700
1.700 peak
2782
weight
0.11000E+01 volume
0.25187E+03 ppm1
2.883
ppm2
1.491

ASSI {2852}

(segid “BrD” and resid 14 and name HD2 %)

((segid “BrD” and resid 14 and name HA))

3.100
2.400
2.400 peak
2852
weight
0.11000E+01 volume
0.89872E+02 ppm1
1.400
ppm2
4.655

ASSI {2862}

(segid “BrD” and resid 14 and name HD2 %)

((segid “BrD” and resid 14 and name HG))

2.700
1.800
1.800 peak
2862
weight
0.11000E+01 volume
0.20094E+03 ppm1
1.401
ppm2
2.061

ASSI {2872}

((segid “BrD” and resid 24 and name HA))

((segid “BrD” and resid 24 and name HG1))

2.700
1.800
1.800 peak
2872
weight
0.11000E+01 volume
0.22636E+03 ppm1
4.783
ppm2
3.454

ASSI {2892}

((segid “BrD” and resid 24 and name HG2))

((segid “BrD” and resid 24 and name HA))

2.400
1.400
1.400 peak
2892
weight
0.11000E+01 volume
0.36992E+03 ppm1
3.076
ppm2
4.784

ASSI {2902}

((segid “BrD” and resid 83 and name HB))

((segid “BrD” and resid 83 and name HA))

2.300
1.300
1.300 peak
2902
weight
0.11000E+01 volume
0.54241E+03 ppm1
4.804
ppm2
4.460

ASSI {2912}

((segid “BrD” and resid 17 and name HA))

((segid “BrD” and resid 17 and name HB))

2.500
1.600
1.600 peak
2912
weight
0.11000E+01 volume
0.32083E+03 ppm1
4.542
ppm2
4.860

ASSI {2932}

(segid “BrD” and resid 25 and name HG2 %)

((segid “BrD” and resid 25 and name HB))

2.300
1.300
1.300 peak
2932
weight
0.11000E+01 volume
0.60381E+03 ppm1
1.650
ppm2
3.005

ASSI {2942}

(segid “BrD” and resid 25 and name HG1 %)

((segid “BrD” and resid 25 and name HB))

2.200
1.200
1.200 peak
2942
weight
0.11000E+01 volume
0.72430E+03 ppm1
1.795
ppm2
3.006

ASSI {2972}

((segid “BrD” and resid 49 and name HA))

((segid “BrD” and resid 49 and name HB))

2.500
1.600
1.600 peak
2972
weight
0.11000E+01 volume
0.32061E+03 ppm1
4.658
ppm2
2.620

ASSI {2992}

((segid “BrD” and resid 49 and name HA))

(segid “BrD” and resid 49 and name HG2 %)

2.900
2.100
2.100 peak
2992
weight
0.11000E+01 volume
0.13480E+03 ppm1
4.658
ppm2
1.570

ASSI {3012}

((segid “BrD” and resid 49 and name HB))

(segid “BrD” and resid 49 and name HG2 %)

2.500
1.600
1.600 peak
3012
weight
0.11000E+01 volume
0.36520E+03 ppm1
2.634
ppm2
1.570

ASSI {3022}

(segid “BrD” and resid 49 and name HG1 %)

((segid “BrD” and resid 49 and name HB))

2.500
1.600
1.600 peak
3022
weight
0.11000E+01 volume
0.34642E+03 ppm1
1.647
ppm2
2.615

ASSI {3042}

(segid “BrD” and resid 49 and name HG1 %)

((segid “BrD” and resid 49 and name HA))

2.700
1.800
1.800 peak
3042
weight
0.11000E+01 volume
0.21850E+03 ppm1
1.647
ppm2
4.679

ASSI {3052}

(segid “BrD” and resid 69 and name HG1 %)

((segid “BrD” and resid 69 and name HA))

2.100
1.100
1.100 peak
3052
weight
0.11000E+01 volume
0.91954E+03 ppm1
1.550
ppm2
4.695

ASSI {3072}

((segid “BrD” and resid 58 and name HA))

((segid “BrD” and resid 58 and name HB))

2.200
1.200
1.200 peak
3072
weight
0.11000E+01 volume
0.67241E+03 ppm1
4.456
ppm2
4.703

ASSI {3102}

((segid “BrD” and resid 28 and name HB2))

((segid “BrD” and resid 28 and name HA))

2.800
2.000
2.000 peak
3102
weight
0.11000E+01 volume
0.15370E+03 ppm1
3.372
ppm2
4.582

ASSI {3112}

((segid “BrD” and resid 28 and name HB1))

((segid “BrD” and resid 28 and name HA))

2.800
2.000
2.000 peak
3112
weight
0.11000E+01 volume
0.16666E+03 ppm1
3.571
ppm2
4.582

ASSI {3142}

((segid “BrD” and resid 64 and name HA))

((segid “BrD” and resid 64 and name HD1))

3.000
2.200
2.200 peak
3142
weight
0.11000E+01 volume
0.11363E+03 ppm1
4.950
ppm2
2.373

ASSI {3162}

((segid “BrD” and resid 64 and name HB1))

((segid “BrD” and resid 64 and name HA))

2.200
1.200
1.200 peak
3162
weight
0.11000E+01 volume
0.77951E+03 ppm1
2.636
ppm2
4.940

ASSI {3172}

((segid “BrD” and resid 64 and name HG1))

((segid “BrD” and resid 64 and name HA))

2.500
1.600
1.600 peak
3172
weight
0.11000E+01 volume
0.29624E+03 ppm1
2.190
ppm2
4.938

ASSI {3182}

((segid “BrD” and resid 64 and name HG1))

((segid “BrD” and resid 64 and name HB1))

2.300
1.300
1.300 peak
3182
weight
0.11000E+01 volume
0.60420E+03 ppm1
2.190
ppm2
2.662

ASSI {3192}

((segid “BrD” and resid 64 and name HG1))

((segid “BrD” and resid 64 and name HE1))

2.500
1.600
1.600 peak
3192
weight
0.11000E+01 volume
0.31904E+03 ppm1
2.190
ppm2
3.597

ASSI {3202}

((segid “BrD” and resid 6 and name HB1))

((segid “BrD” and resid 6 and name HA))

2.400
1.400
1.400 peak
3202
weight
0.11000E+01 volume
0.45358E+03 ppm1
2.489
ppm2
4.969

ASSI {3212}

((segid “BrD” and resid 6 and name HD1))

((segid “BrD” and resid 6 and name HA))

2.800
2.000
2.000 peak
3212
weight
0.11000E+01 volume
0.15911E+03 ppm1
2.310
ppm2
4.972

ASSI {3222}

((segid “BrD” and resid 6 and name HG2))

((segid “BrD” and resid 6 and name HA))

2.900
2.100
2.100 peak
3222
weight
0.11000E+01 volume
0.13404E+03 ppm1
2.040
ppm2
4.973

ASSI {3232}

((segid “BrD” and resid 104 and name HG1))

((segid “BrD” and resid 104 and name HA))

2.400
1.400
1.400 peak
3232
weight
0.11000E+01 volume
0.41964E+03 ppm1
2.140
ppm2
4.672

ASSI {3242}

((segid “BrD” and resid 104 and name HA))

((segid “BrD” and resid 104 and name HB1))

2.100
1.100
1.100 peak
3242
weight
0.11000E+01 volume
0.87442E+03 ppm1
4.657
ppm2
2.537

ASSI {3272}

((segid “BrD” and resid 104 and name HA))

((segid “BrD” and resid 107 and name HB1))

2.500
1.600
1.600 peak
3272
weight
0.11000E+01 volume
0.31692E+03 ppm1
4.656
ppm2
3.663

ASSI {3292}

((segid “BrD” and resid 111 and name HB2))

((segid “BrD” and resid 111 and name HA))

2.100
1.100
1.100 peak
3292
weight
0.11000E+01 volume
0.10458E+04 ppm1
2.366
ppm2
4.656

ASSI {3112}

((segid “BrD” and resid 111 and name HA))

((segid “BrD” and resid 111 and name HG2))

2.800
2.000
2.000 peak
3312
weight
0.11000E+01 volume
0.17232E+03 ppm1
4.656
ppm2
1.918

ASSI {3332}

((segid “BrD” and resid 111 and name HA))

((segid “BrD” and resid 111 and name HB1))

2.100
1.100
1.100 peak
3332
weight
0.11000E+01 volume
0.97545E+03 ppm1
4.656
ppm2
2.473

ASSI {3362}

((segid “BrD” and resid 19 and name HA))

((segid “BrD” and resid 19 and name HD1))

3.100
2.400
2.400 peak
3362
weight
0.11000E+01 volume
0.91418E+02 ppm1
4.310
ppm2
2.214

ASSI {3372}

((segid “BrD” and resid 19 and name HB1))

((segid “BrD” and resid 19 and name HA))

2.500
1.600
1.600 peak
3372
weight
0.11000E+01 volume
0.34161E+03 ppm1
2.290
ppm2
4.297

ASSI {3382}

((segid “BrD” and resid 19 and name HB1))

((segid “BrD” and resid 16 and name HA))

3.900
3.800
1.600 peak
3382
weight
0.11000E+01 volume
0.22305E+02 ppm1
2.290
ppm2
4.507

ASSI {3392}

((segid “BrD” and resid 19 and name HG1))

((segid “BrD” and resid 19 and name HA))

2.400
1.400
1.400 peak
3392
weight
0.11000E+01 volume
0.37229E+03 ppm1
1.895
ppm2
4.296

ASSI {3402}

((segid “BrD” and resid 19 and name HG1))

((segid “BrD” and resid 19 and name HE1))

2.600
1.700
1.700 peak
3402
weight
0.11000E+01 volume
0.28547E+03 ppm1
1.895
ppm2
3.526

ASSI {3412}

((segid “BrD” and resid 19 and name HD1))

((segid “BrD” and resid 19 and name HE1))

1.800
0.800
0.800 peak
3412
weight
0.11000E+01 volume
0.21730E+04 ppm1
2.192
ppm2
3.522

ASSI {3422}

((segid “BrD” and resid 60 and name HA))

((segid “BrD” and resid 60 and name HB1))

1.700
0.700
0.700 peak
3422
weight
0.11000E+01 volume
0.29577E+04 ppm1
4.805
ppm2
4.995

ASSI {3452}

((segid “BrD” and resid 11 and name HB1))

((segid “BrD” and resid 11 and name HA))

2.300
1.300
1.300 peak
3452
weight
0.11000E+01 volume
0.52164E+03 ppm1
2.933
ppm2
4.942

ASSI {3462}

((segid “BrD” and resid 11 and name HB2))

((segid “BrD” and resid 11 and name HA))

2.300
1.300
1.300 peak
3462
weight
0.11000E+01 volume
0.61125E+03 ppm1
2.586
ppm2
4.943

ASSI {3492}

((segid “BrD” and resid 97 and name HA))

((segid “BrD” and resid 97 and name HB1))

2.300
1.300
1.300 peak
3492
weight
0.11000E+01 volume
0.52974E+03 ppm1
4.805
ppm2
2.704

ASSI {3532}

((segid “BrD” and resid 109 and name HE2))

((segid “BrD” and resid 109 and name HD1))

2.500
1.600
1.600 peak
3532
weight
0.11000E+01 volume
0.30326E+03 ppm1
3.029
ppm2
1.994

ASSI {3542}

((segid “BrD” and resid 109 and name HE2))

((segid “BrD” and resid 109 and name HG1))

2.700
1.800
1.800 peak
3542
weight
0.11000E+01 volume
0.22719E+03 ppm1
3.027
ppm2
1.411

ASSI {3552}

((segid “BrD” and resid 109 and name HE1))

((segid “BrD” and resid 109 and name HG1))

2.600
1.700
1.700 peak
3552
weight
0.11000E+01 volume
0.23490E+03 ppm1
3.176
ppm2
1.411

ASSI {3562}

((segid “BrD” and resid 109 and name HD1))

((segid “BrD” and resid 109 and name HE1))

2.700
1.800
1.800 peak
3562
weight
0.11000E+01 volume
0.22693E+03 ppm1
1.994
ppm2
3.195

ASSI {3602}

((segid “BrD” and resid 86 and name HE1))

((segid “BrD” and resid 86 and name HG2))

2.900
2.100
2.100 peak
3602
weight
0.11000E+01 volume
0.13036E+03 ppm1
3.080
ppm2
0.766

ASSI {3612}

((segid “BrD” and resid 86 and name HD1))

((segid “BrD” and resid 86 and name HG2))

2.300
1.300
1.300 peak
3612
weight
0.11000E+01 volume
0.49629E+03 ppm1
1.896
ppm2
0.765

ASSI {3622}

((segid “BrD” and resid 86 and name HD1))

((segid “BrD” and resid 86 and name HE1))

2.600
1.700
1.700 peak
3622
weight
0.11000E+01 volume
0.24556E+03 ppm1
1.892
ppm2
3.093

ASSI {3632}

((segid “BrD” and resid 86 and name HA))

((segid “BrD” and resid 86 and name HG1))

2.800
2.000
2.000 peak
3632
weight
0.11000E+01 volume
0.14893E+03 ppm1
4.806
ppm2
1.895

ASSI {3682}

((segid “BrD” and resid 8 and name HG1))

((segid “BrD” and resid 8 and name HD1))

2.000
1.000
1.000 peak
3682
weight
0.11000E+01 volume
0.11498E+04 ppm1
2.635
ppm2
4.436

ASSI {3692}

((segid “BrD” and resid 8 and name HG1))

((segid “BrD” and resid 8 and name HD2))

2.100
1.100
1.100 peak
3692
weight
0.11000E+01 volume
0.87712E+03 ppm1
2.635
ppm2
4.286

ASSI {3702}

((segid “BrD” and resid 8 and name HB2))

((segid “BrD” and resid 8 and name HA))

2.600
1.700
1.700 peak
3702
weight
0.11000E+01 volume
0.24482E+03 ppm1
2.487
ppm2
5.021

ASSI {3712}

((segid “BrD” and resid 8 and name HB1))

((segid “BrD” and resid 8 and name HA))

2.400
1.400
1.400 peak
3712
weight
0.11000E+01 volume
0.36862E+03 ppm1
2.831
ppm2
5.021

ASSI {3722}

((segid “BrD” and resid 8 and name HD1))

((segid “BrD” and resid 7 and name HA))

2.100
1.100
1.100 peak
3722
weight
0.11000E+01 volume
0.89203E+03 ppm1
4.407
ppm2
5.144

ASSI {3732}

((segid “BrD” and resid 8 and name HD2))

((segid “BrD” and resid 7 and name HA))

2.100
1.100
1.100 peak
3732
weight
0.11000E+01 volume
0.93259E+03 ppm1
4.263
ppm2
5.144

ASSI {3752}

((segid “BrD” and resid 44 and name HA))

((segid “BrD” and resid 44 and name HB1))

2.400
1.400
1.400 peak
3752
weight
0.11000E+01 volume
0.42716E+03 ppm1
5.098
ppm2
2.973

ASSI {3762}

((segid “BrD” and resid 44 and name HA))

((segid “BrD” and resid 44 and name HB2))

2.600
1.700
1.700 peak
3762
weight
0.11000E+01 volume
0.27621E+03 ppm1
5.098
ppm2
2.636

ASSI {3792}

((segid “BrD” and resid 44 and name HB2))

((segid “BrD” and resid 44 and name HD1))

2.800
2.000
2.000 peak
3792
weight
0.11000E+01 volume
0.16780E+03 ppm1
2.631
ppm2
4.337

ASSI {3802}

((segid “BrD” and resid 44 and name HB1))

((segid “BrD” and resid 44 and name HD1))

3.200
2.600
2.300 peak
3802
weight
0.11000E+01 volume
0.70033E+02 ppm1
2.981
ppm2
4.337

ASSI {3822}

((segid “BrD” and resid 44 and name HG1))

((segid “BrD” and resid 44 and name HA))

2.900
2.100
2.100 peak
3822
weight
0.11000E+01 volume
0.14259E+03 ppm1
2.729
ppm2
5.114

ASSI {3832}

((segid “BrD” and resid 44 and name HG2))

((segid “BrD” and resid 44 and name HA))

2.700
1.800
1.800 peak
3832
weight
0.11000E+01 volume
0.22601E+03 ppm1
2.645
ppm2
5.114

ASSI {3842}

((segid “BrD” and resid 41 and name HA))

((segid “BrD” and resid 41 and name HB))

1.900
0.900
0.900 peak
3842
weight
0.11000E+01 volume
0.19310E+04 ppm1
4.657
ppm2
4.899

ASSI {3882}

((segid “BrD” and resid 103 and name HG2))

((segid “BrD” and resid 103 and name HA2))

2.800
2.000
2.000 peak
3882
weight
0.11000E+01 volume
0.14970E+03 ppm1
2.519
ppm2
3.789

ASSI {3892}

((segid “BrD” and resid 103 and name HG1))

((segid “BrD” and resid 103 and name HA))

2.900
2.100
2.100 peak
3892
weight
0.11000E+01 volume
0.14619E+03 ppm1
2.598
ppm2
3.789

ASSI {3912}

((segid “BrD” and resid 103 and name HG2))

((segid “BrD” and resid 103 and name HB1))

3.000
2.200
2.200 peak
3912
weight
0.11000E+01 volume
0.10641E+03 ppm1
2.519
ppm2
2.346

ASSI {3922}

((segid “BrD” and resid 103 and name HG1))

((segid “BrD” and resid 103 and name HB1))

3.200
2.600
2.300 peak
3922
weight
0.11000E+01 volume
0.80668E+03 ppm1
2.598
ppm2
2.346

ASSI {3942}

((segid “BrD” and resid 48 and name HA))

((segid “BrD” and resid 48 and name HG1))

3.100
2.400
2.400 peak
3942
weight
0.11000E+01 volume
0.93117E+02 ppm1
4.803
ppm2
2.940

ASSI {3952}

((segid “BrD” and resid 48 and name HA))

((segid “BrD” and resid 48 and name HG2))

3.000
2.200
2.200 peak
3952
weight
0.11000E+01 volume
0.10971E+03 ppm1
4.803
ppm2
2.851

ASSI {3982}

(segid “BrD” and resid 50 and name HD1 %)

((segid “BrD” and resid 50 and name HA))

2.300
1.300
1.300 peak
3982
weight
0.11000E+01 volume
0.51678E+03 ppm1
1.155
ppm2
4.518

ASSI {4012}

(segid “BrD” and resid 110 and name HD1 %)

((segid “BrD” and resid 110 and name HG12))

2.600
1.700
1.700 peak
4012
weight
0.11000E+01 volume
0.27804E+03 ppm1
1.154
ppm2
1.652

ASSI {4022}

(segid “BrD” and resid 110 and name HG2 %)

((segid “BrD” and resid 110 and name HG12))

2.500
1.600
1.600 peak
4022
weight
0.11000E+01 volume
0.35399E+03 ppm1
1.253
ppm2
1.651

ASSI {4032}

((segid “BrD” and resid 110 and name HB))

((segid “BrD” and resid 110 and name HG12))

3.300
2.700
2.200 peak
4032
weight
0.11000E+01 volume
0.60399E+02 ppm1
2.338
ppm2
1.651

ASSI {4052}

((segid “BrD” and resid 24 and name HB1))

((segid “BrD” and resid 24 and name HG1))

2.600
1.700
1.700 peak
4052
weight
0.11000E+01 volume
0.27715E+03 ppm1
3.076
ppm2
3.453

ASSI {4062}

((segid “BrD” and resid 80 and name HD1))

((segid “BrD” and resid 80 and name HG1))

2.400
1.400
1.400 peak
4062
weight
0.11000E+01 volume
0.37330E+03 ppm1
3.956
ppm2
2.347

ASSI {4072}

((segid “BrD” and resid 80 and name HD1))

((segid “BrD” and resid 80 and name HB1))

2.700
1.800
1.800 peak
4072
weight
0.11000E+01 volume
0.22342E+03 ppm1
3.956
ppm2
2.573

ASSI {4112}

((segid “BrD” and resid 101 and name HA))

((segid “BrD” and resid 101 and name HB))

2.600
1.700
1.700 peak
4112
weight
0.11000E+01 volume
0.25152E+03 ppm1
4.263
ppm2
2.535

ASSI {4122}

((segid “BrD” and resid 101 and name HA))

((segid “BrD” and resid 101 and name HG11))

2.600
1.700
1.700 peak
4122
weight
0.11000E+01 volume
0.23036E+03 ppm1
4.263
ppm2
2.469

ASSI {4132}

((segid “BrD” and resid 101 and name HA))

((segid “BrD” and resid 101 and name HG12))

2.500
1.600
1.600 peak
4132
weight
0.11000E+01 volume
0.31941E+03 ppm1
4.261
ppm2
1.806

ASSI {4142}

(segid “BrD” and resid 38 and name HG1 %)

((segid “BrD” and resid 38 and name HA))

2.300
1.300
1.300 peak
4142
weight
0.11000E+01 volume
0.50428E+03 ppm1
1.058
ppm2
4.168

ASSI {4162}

(segid “BrD” and resid 81 and name HG2 %)

((segid “BrD” and resid 81 and name HA))

2.400
1.400
1.400 peak
4162
weight
0.11000E+01 volume
0.38926E+03 ppm1
0.761
ppm2
3.716

ASSI {4182}

(segid “BrD” and resid 81 and name HG1 %)

((segid “BrD” and resid 81 and name HA))

2.400
1.400
1.400 peak
4182
weight
0.11000E+01 volume
0.43496E+03 ppm1
1.059
ppm2
3.716

ASSI {4212}

((segid “BrD” and resid 69 and name HB))

((segid “BrD” and resid 69 and name HA))

2.200
1.200
1.200 peak
4212
weight
0.11000E+01 volume
0.67869E+03 ppm1
2.929
ppm2
4.696

ASSI {4222}

((segid “BrD” and resid 18 and name HA))

((segid “BrD” and resid 18 and name HB1))

2.800
2.000
2.000 peak
4222
weight
0.11000E+01 volume
0.15123E+03 ppm1
3.866
ppm2
2.131

ASSI {4272}

((segid “BrD” and resid 116 and name HB))

(segid “BrD” and resid 116 and name HD1 %)

2.500
1.600
1.600 peak
4272
weight
0.11000E+01 volume
0.31982E+03 ppm1
2.409
ppm2
1.399

ASSI {4282}

((segid “BrD” and resid 110 and name HB))

((segid “BrD” and resid 110 and name HG11))

3.100
2.400
2.400 peak
4282
weight
0.11000E+01 volume
0.90397E+02 ppm1
2.338
ppm2
1.718

ASSI {4302}

((segid “BrD” and resid 50 and name HA))

((segid “BrD” and resid 50 and name HG11))

2.600
1.700
1.700 peak
4302
weight
0.11000E+01 volume
0.24102E+03 ppm1
4.506
ppm2
1.409

ASSI {4322}

((segid “BrD” and resid 50 and name HB))

((segid “BrD” and resid 50 and name HG12))

2.700
1.800
1.800 peak
4322
weight
0.11000E+01 volume
0.20938E+03 ppm1
1.797
ppm2
0.840

ASSI {4332}

((segid “BrD” and resid 50 and name HB))

((segid “BrD” and resid 50 and name HG11))

2.700
1.800
1.800 peak
4332
weight
0.11000E+01 volume
0.20876E+03 ppm1
1.797
ppm2
1.407

ASSI {4342}

((segid “BrD” and resid 50 and name HB))

((segid “BrD” and resid 50 and name HA))

3.000
2.200
2.200 peak
4342
weight
0.11000E+01 volume
0.11875E+03 ppm1
1.797
ppm2
4.516

ASSI {4382}

((segid “BrD” and resid 21 and name HA))

((segid “BrD” and resid 21 and name HB))

2.700
1.800
1.800 peak
4382
weight
0.11000E+01 volume
0.19816E+03 ppm1
4.359
ppm2
2.515

ASSI {4392}

((segid “BrD” and resid 21 and name HA))

((segid “BrD” and resid 21 and name HG12))

2.600
1.700
1.700 peak
4392
weight
0.11000E+01 volume
0.25295E+03 ppm1
4.358
ppm2
1.653

ASSI {4402}

((segid “BrD” and resid 21 and name HA))

((segid “BrD” and resid 21 and name HG11))

2.600
1.700
1.700 peak
4402
weight
0.11000E+01 volume
0.24995E+03 ppm1
4.358
ppm2
2.357

ASSI {4412}

((segid “BrD” and resid 21 and name HB))

((segid “BrD” and resid 21 and name HG11))

2.900
2.100
2.100 peak
4412
weight
0.11000E+01 volume
0.13199E+03 ppm1
2.487
ppm2
2.356

ASSI {4472}

((segid “BrD” and resid 21 and name HG12))

((segid “BrD” and resid 21 and name HB))

2.800
2.000
2.000 peak
4472
weight
0.11000E+01 volume
1.7027E+03 ppm1
1.642
ppm2
2.511

ASSI {4482}

((segid “BrD” and resid 21 and name HG12))

((segid “BrD” and resid 21 and name HG11))

2.200
1.200
1.200 peak
4482
weight
0.11000E+01 volume
0.65087E+03 ppm1
1.642
ppm2
2.357

ASSI {4502}

(segid “BrD” and resid 21 and name HG2 %)

((segid “BrD” and resid 21 and name HA))

2.400
1.400
1.400 peak
4502
weight
0.11000E+01 volume
0.39582E+03 ppm1
1.596
ppm2
4.369

ASSI {4512}

((segid “BrD” and resid 36 and name HG1))

((segid “BrD” and resid 36 and name HB2))

2.100
1.100
1.100 peak
4512
weight
0.11000E+01 volume
0.10618E+04 ppm1
2.781
ppm2
2.342

ASSI {4562}

((segid “BrD” and resid 9 and name HG1))

((segid “BrD” and resid 9 and name HA))

2.800
2.000
2.000 peak
4562
weight
0.11000E+01 volume
0.15274E+03 ppm1
2.236
ppm2
4.940

ASSI {4582}

((segid “BrD” and resid 9 and name HA))

((segid “BrD” and resid 9 and name HB2))

2.400
1.400
1.400 peak
4582
weight
0.11000E+01 volume
0.39636E+03 ppm1
4.953
ppm2
2.385

ASSI {4592}

((segid “BrD” and resid 35 and name HB2))

((segid “BrD” and resid 35 and name HG1))

2.600
1.700
1.700 peak
4592
weight
0.11000E+01 volume
0.27554E+03 ppm1
2.781
ppm2
3.447

ASSI {4602}

((segid “BrD” and resid 35 and name HB1))

((segid “BrD” and resid 35 and name HG1))

3.000
2.200
2.200 peak
4602
weight
0.11000E+01 volume
0.10522E+03 ppm1
2.838
ppm2
3.447

ASSI {4632}

(segid “BrD” and resid 73 and name HD1 %)

((segid “BrD” and resid 73 and name HG))

2.100
1.100
1.100 peak
4632
weight
0.11000E+01 volume
0.81939E+03 ppm1
1.549
ppm2
2.368

ASSI {4642}

((segid “BrD” and resid 56 and name HA))

((segid “BrD” and resid 56 and name HB1))

2.500
1.600
1.600 peak
4642
weight
0.11000E+01 volume
0.31507E+03 ppm1
4.606
ppm2
2.694

ASSI {4652}

((segid “BrD” and resid 22 and name HD2 %))

((segid “BrD” and resid 22 and name HB %))

2.500
1.600
1.600 peak
4652
weight
0.11000E+01 volume
0.35307E+03 ppm1
1.600
ppm2
2.702

ASSI {4662}

((segid “BrD” and resid 22 and name HA))

((segid “BrD” and resid 22 and name HG))

2.400
1.400
1.400 peak
4662
weight
0.11000E+01 volume
0.43065E+03 ppm1
4.704
ppm2
2.360

ASSI {4722}

((segid “BrD” and resid 14 and name HA))

((segid “BrD” and resid 14 and name HB1))

2.400
1.400
1.400 peak
4722
weight
0.11000E+01 volume
0.40350E+03 ppm1
4.655
ppm2
2.464

ASSI {4732}

((segid “BrD” and resid 14 and name HA))

((segid “BrD” and resid 14 and name HB2))

2.500
1.600
1.600 peak
4732
weight
0.11000E+01 volume
0.34201E+03 ppm1
4.655
ppm2
2.159

ASSI {4742}

((segid “BrD” and resid 14 and name HA))

((segid “BrD” and resid 14 and name HG))

2.800
2.000
2.000 peak
4742
weight
0.11000E+01 volume
0.16298E+03 ppm1
4.655
ppm2
2.062

ASSI {4752}

(segid “BrD” and resid 14 and name HD2 %)

((segid “BrD” and resid 14 and name HB2))

2.900
2.100
2.100 peak
4752
weight
0.11000E+01 volume
0.12176E+03 ppm1
1.401
ppm2
2.155

ASSI {4762}

(segid “BrD” and resid 14 and name HD2 %)

((segid “BrD” and resid 14 and name HB1))

2.200
1.200
1.200 peak
4762
weight
0.11000E+01 volume
0.78049E+03 ppm1
1.401
ppm2
2.466

ASSI {4782}

((segid “BrD” and resid 24 and name HB2)

((segid “BrD” and resid 24 and name HG1))

2.700
1.800
1.800 peak
4782
weight
0.11000E+01 volume
0.20235E+03 ppm1
2.989
ppm2
1.453

ASSI {4812}

((segid “BrD” and resid 25 and name HA)

(segid “BrD” and resid 25 and name HG2 %)

2.600
1.700
1.700 peak
4812
weight
0.11000E+01 volume
0.28433E+03 ppm1
4.412
ppm2
1.637

ASSI {4822}

(segid “BrD” and resid 25 and name HG1 %)

((segid “BrD” and resid 25 and name HA))

2.300
1.300
1.300 peak
4822
weight
0.11000E+01 volume
0.50491E+03 ppm1
1.796
ppm2
4.427

ASSI {4832}

((segid “BrD” and resid 30 and name HB1))

((segid “BrD” and resid 30 and name HA))

2.700
1.800
1.800 peak
4832
weight
0.11000E+01 volume
0.18839E+03 ppm1
4.907
ppm2
5.445

ASSI {4852}

((segid “BrD” and resid 30 and name HA))

((segid “BrD” and resid 30 and name HB2))

2.900
2.100
2.100 peak
4.852
weight
0.11000E+01 volume
0.13412E+03 ppm1
5.444
ppm2
4.533

ASSI {4862}

((segid “BrD” and resid 104 and name HE1))

((segid “BrD” and resid 104 and name HD1))

1.900
0.900
0.900 peak
4862
weight
0.11000E+01 volume
0.17529E+04 ppm1
3.571
ppm2
2.290

ASSI {4912}

((segid “BrD” and resid 57 and name HG1))

((segid “BrD” and resid 57 and name HA))

2.400
1.400
1.400 peak
4912
weight
0.11000E+01 volume
0.42230E+03 ppm1
2.110
ppm2
4.800

ASSI {4922}

((segid “BrD” and resid 97 and name HE1))

((segid “BrD” and resid 97 and name HG2))

2.200
1.200
1.200 peak
4922
weight
0.11000E+01 volume
0.69710E+03 ppm1
3.569
ppm2
2.172

ASSI {4932}

((segid “BrD” and resid 109 and name HA))

((segid “BrD” and resid 109 and name HB2))

2.000
1.000
1.000 peak
4932
weight
0.11000E+01 volume
0.10760E+04 ppm1
4.653
ppm2
2.149

ASSI {4942}

((segid “BrD” and resid 109 and name HA))

((segid “BrD” and resid 109 and name HB1)

2.000
1.000
1.000 peak
4942
weight
0.11000E+01 volume
0.13416E+04 ppm1
4.653
ppm2
2.321

ASSI {4962}

((segid “BrD” and resid 109 and name HB2))

((segid “BrD” and resid 109 and name HG1))

2.500
1.600
1.600 peak
4962
weight
0.11000E+01 volume
0.29632E+03 ppm1
2.141
ppm2
1.417

ASSI {4972}

((segid “BrD” and resid 109 and name HB1))

((segid “BrD” and resid 109 and name HG1))

2.500
1.600
1.600 peak
4972
weight
0.11000E+01 volume
0.36408E+03 ppm1
2.334
ppm2
1.417

ASSI {4982}

((segid “BrD” and resid 109 and name HG1))

((segid “BrD” and resid 109 and name HA))

2.700
1.600
1.800 peak
4982
weight
0.11000E+01 volume
0.22259E+03 ppm1
1.399
ppm2
4.639

ASSI {5002}

((segid “BrD” and resid 109 and name HE2))

((segid “BrD” and resid 109 and name HA))

2.800
2.000
2.000 peak
5002
weight
0.11000E+01 volume
0.16510E+03 ppm1
3.029
ppm2
4.639

ASSI {5012}

((segid “BrD” and resid 86 and name HG2))

((segid “BrD” and resid 86 and name HA))

2.800
2.000
2.000 peak
5012
weight
0.11000E+01 volume
0.18063E+03 ppm1
0.761
ppm2
4.812

ASSI {5022}

(segid “BrD” and resid 41 and name HG2 %)

((segid “BrD” and resid 41 and name HA))

2.200
1.200
1.200 peak
5022
weight
0.11000E+01 volume
0.76022E+03 ppm1
1.844
ppm2
4.671

ASSI {5032}

(segid “BrD” and resid 41 and name HG2 %)

((segid “BrD” and resid 41 and name HB))

2.000
1.000
1.000 peak
5032
weight
0.11000E+01 volume
0.12138E+04 ppm1
1.845
ppm2
4.901

ASSI {5042}

(segid “BrD” and resid 58 and name HG2 %)

((segid “BrD” and resid 58 and name HA))

2.000
1.000
1.000 peak
5042
weight
0.11000E+01 volume
0.10640E+04 ppm1
1.649
ppm2
4.451

ASSI {5052}

(segid “BrD” and resid 58 and name HG2 %)

((segid “BrD” and resid 58 and name HB))

1.900
0.900
0.900 peak
5052
weight
0.11000E+01 volume
0.14547E+04 ppm1
1.649
ppm2
4.705

ASSI {5062}

(segid “BrD” and resid 17 and name HG2 %)

((segid “BrD” and resid 17 and name HA))

2.300
1.300
1.300 peak
5062
weight
0.11000E+01 volume
0.54601E+03 ppm1
1.747
ppm2
4.542

ASSI {5072}

(segid “BrD” and resid 17 and name HG2 %)

((segid “BrD” and resid 17 and name HB))

2.100
1.100
1.100 peak
5072
weight
0.11000E+01 volume
0.92706E+03 ppm1
1.745
ppm2
4.861

ASSI {5082}

(segid “BrD” and resid 83 and name HG2 %)

((segid “BrD” and resid 83 and name HB))

2.100
1.100
1.100 peak
5082
weight
0.11000E+01 volume
0.10099E+04 ppm1
1.893
ppm2
4.805

ASSI {5092}

(segid “BrD” and resid 83 and name HG2 %)

((segid “BrD” and resid 83 and name HA))

2.200
1.200
1.200 peak
5092
weight
0.11000E+01 volume
0.64890E+03 ppm1
1.894
ppm2
4.460

ASSI {5122}

((segid “BrD” and resid 37 and name HA))

((segid “BrD” and resid 37 and name HG1))

2.000
2.000
2.000 peak
5122
weight
0.11000E+01 volume
0.14935E+03 ppm1
4.853
ppm2
2.725

ASSI {5132}

((segid “BrD” and resid 37 and name HA))

((segid “BrD” and resid 37 and name HG2))

3.200
2.600
2.300 peak
5132
weight
0.11000E+01 volume
0.80336E+02 ppm1
4.853
ppm2
2.587

ASSI {5162}

((segid “BrD” and resid 37 and name HG2))

((segid “BrD” and resid 37 and name HD1))

2.300
1.300
1.300 peak
5162
weight
0.11000E+01 volume
0.49428E+03 ppm1
2.585
ppm2
4.291

ASSI {5172}

((segid “BrD” and resid 37 and name HG1))

((segid “BrD” and resid 37 and name HD1))

2.500
1.600
1.600 peak
5172
weight
0.11000E+01 volume
0.34945E+03 ppm1
2.733
ppm2
4.290

ASSI {5182}

((segid “BrD” and resid 37 and name HG1))

((segid “BrD” and resid 37 and name HB1))

2.300
1.300
1.300 peak
5182
weight
0.11000E+01 volume
0.51291E+03 ppm1
2.733
ppm2
2.961

ASSI {5192}

((segid “BrD” and resid 37 and name HG2))

((segid “BrD” and resid 37 and name HB1))

2.300
1.300
1.300 peak
5192
weight
0.11000E+01 volume
0.56233E+03 ppm1
2.584
ppm2
2.961

ASSI {5202}

((segid “BrD” and resid 37 and name HB1))

((segid “BrD” and resid 37 and name HA))

2.200
1.200
1.200 peak
5202
weight
0.11000E+01 volume
0.64791E+03 ppm1
2.935
ppm2
4.858

ASSI {5212}

((segid “BrD” and resid 37 and name HB2))

((segid “BrD” and resid 37 and name HA))

2.400
1.400
1.400 peak
5212
weight
0.11000E+01 volume
0.38926E+03 ppm1
2.290
ppm2
4.858

ASSI {5222}

((segid “BrD” and resid 37 and name HB1))

((segid “BrD” and resid 37 and name HD1))

3.600
3.200
1.900 peak
5222
weight
0.11000E+01 volume
0.35026E+02 ppm1
2.935
ppm2
4.298

ASSI {5272}

((segid “BrD” and resid 53 and name HD1))

((segid “BrD” and resid 52 and name HA))

3.300
2.700
2.200 peak
5272
weight
0.11000E+01 volume
0.65454E+02 ppm1
4.214
ppm2
5.504

ASSI {5282}

((segid “BrD” and resid 53 and name HB1))

((segid “BrD” and resid 53 and name HA))

2.200
1.200
1.200 peak
5282
weight
0.11000E+01 volume
0.77735E+03 ppm1
2.780
ppm2
4.686

ASSI {5292}

((segid “BrD” and resid 53 and name HG2))

((segid “BrD” and resid 53 and name HA))

2.900
2.100
2.100 peak
5292
weight
0.11000E+01 volume
0.13443E+03 ppm1
2.487
ppm2
4.687

ASSI {5302}

((segid “BrD” and resid 51 and name HA))

((segid “BrD” and resid 51 and name HG2))

2.300
1.300
1.300 peak
5302
weight
0.11000E+01 volume
0.54723E+03 ppm1
4.459
ppm2
1.796

ASSI {5312}

((segid “BrD” and resid 51 and name HA))

((segid “BrD” and resid 51 and name HG1))

2.400
1.400
1.400 peak
5312
weight
0.11000E+01 volume
0.30019E+03 ppm1
4.459
ppm2
1.946

ASSI {5332}

((segid “BrD” and resid 51 and name HB1))

((segid “BrD” and resid 51 and name HA))

2.700
1.800
1.800 peak
5332
weight
0.11000E+01 volume
0.20757E+03 ppm1
1.945
ppm2
4.468

ASSI {5342}

((segid “BrD” and resid 51 and name HB2))

((segid “BrD” and resid 51 and name HA))

2.400
1.400
1.400 peak
5342
weight
0.11000E+01 volume
0.37628E+03 ppm1
1.795
ppm2
4.468

ASSI {5372}

((segid “BrD” and resid 51 and name HG1))

((segid “BrD” and resid 51 and name HD1))

2.800
2.000
2.000 peak
5372
weight
0.11000E+01 volume
0.26452E+03 ppm1
1.946
ppm2
3.606

ASSI {5362}

((segid “BrD” and resid 51 and name HG2))

((segid “BrD” and resid 51 and name HD1))

2.400
1.400
1.400 peak
5382
weight
0.11000E+01 volume
0.40660E+03 ppm1
1.796
ppm2
3.606

ASSI {5392}

((segid “BrD” and resid 51 and name HD1))

((segid “BrD” and resid 51 and name HD1))

2.500
1.600
1.600 peak
5392
weight
0.11000E+01 volume
0.36659E+03 ppm1
3.577
ppm2
1.945

ASSI {5402}

((segid “BrD” and resid 51 and name HD1))

((segid “BrD” and resid 51 and name HB2))

2.400
1.400
1.400 peak
5402
weight
0.11000E+01 volume
0.38417E+03 ppm1
3.577
ppm2
1.795

ASSI {5412}

((segid “BrD” and resid 51 and name HD1))

((segid “BrD” and resid 51 and name HA))

2.700
1.800
1.800 peak
5412
weight
0.11000E+01 volume
0.20141E+03 ppm1
3.578
ppm2
4.463

ASSI {5422}

((segid “BrD” and resid 52 and name HA))

((segid “BrD” and resid 52 and name HB1))

2.500
1.600
1.600 peak
5422
weight
0.11000E+01 volume
0.31370E+03 ppm1
5.592
ppm2
3.654

ASSI {5432}

((segid “BrD” and resid 52 and name HA))

((segid “BrD” and resid 52 and name HB2))

2.800
2.000
2.000 peak
5432
weight
0.11000E+01 volume
0.16779E+03 ppm1
5.592
ppm2
3.533

ASSI {5462}

((segid “BrD” and resid 75 and name HG2))

((segid “BrD” and resid 75 and name HA))

2.700
1.800
1.600 peak
5462
weight
0.11000E+01 volume
0.19830E+03 ppm1
3.226
ppm2
4.517

ASSI {5482}

((segid “BrD” and resid 75 and name HG2))

((segid “BrD” and resid 75 and name HB2))

2.600
1.700
1.700 peak
5482
weight
0.11000E+01 volume
0.27353E+03 ppm1
3.227
ppm2
2.847

ASSI {5492}

((segid “BrD” and resid 75 and name HG1))

((segid “BrD” and resid 75 and name HB2))

2.300
1.300
1.300 peak
5492
weight
0.11000E+01 volume
0.44028E+03 ppm1
3.523
ppm2
2.847

ASSI {5502}

((segid “BrD” and resid 75 and name HG1))

((segid “BrD” and resid 75 and name HB1))

2.700
1.800
1.800 peak
5502
weight
0.11000E+01 volume
0.21586E+03 ppm1
3.523
ppm2
2.931

ASSI {5512}

((segid “BrD” and resid 75 and name HG2))

((segid “BrD” and resid 75 and name HB1))

2.700
1.800
1.800 peak
5512
weight
0.11000E+01 volume
1.21836E+03 ppm1
3.227
ppm2
2.931

ASSI {5522}

((segid “BrD” and resid 75 and name HA))

((segid “BrD” and resid 75 and name HG1))

2.600
2.000
2.000 peak
5522
weight
0.11000E+01 volume
0.16121E+03 ppm1
4.509
ppm2
3.530

ASSI {5542}

((segid “BrD” and resid 19 and name HB2))

((segid “BrD” and resid 16 and name HA))

2.900
2.100
2.100 peak
5542
weight
0.11000E+01 volume
0.12463E+03 ppm1
1.989
ppm2
4.507

ASSI {5552}

((segid “BrD” and resid 19 and name HB2))

((segid “BrD” and resid 19 and name HA))

2.600
1.700
1.700 peak
5552
weight
0.11000E+01 volume
0.27005E+03 ppm1
1.989
ppm2
4.297

ASSI {5582}

((segid “BrD” and resid 54 and name HA))

((segid “BrD” and resid 54 and name HB2))

3.000
2.200
2.200 peak
5582
weight
0.11000E+01 volume
0.10290E+03 ppm1
5.543
ppm2
1.964

ASSI {5592}

((segid “BrD” and resid 97 and name HG1))

((segid “BrD” and resid 97 and name HE1))

3.100
2.400
2.400 peak
5592
weight
0.11000E+01 volume
0.89029E+03 ppm1
2.436
ppm2
3.572

ASSI {5622}

((segid “BrD” and resid 59 and name HG2))

((segid “BrD” and resid 59 and name HA))

2.400
1.400
1.400 peak
5622
weight
0.11000E+01 volume
039103E+03 ppm1
3.137
ppm2
4.911

ASSI {5632}

((segid “BrD” and resid 59 and name HG1))

((segid “BrD” and resid 59 and name HA))

3.000
2.200
2.200 peak
5632
weight
0.11000E+01 volume
0.11482E+03 ppm1
3.228
ppm2
4.911

ASSI {5642}

((segid “BrD” and resid 13 and name HG2))

((segid “BrD” and resid 13 and name HA))

2.300
1.300
1.300 peak
5642
weight
0.11000E+01 volume
0.56353E+03 ppm1
2.978
ppm2
4.775

ASSI {5652}

((segid “BrD” and resid 13 and name HG1))

((segid “BrD” and resid 13 and name HA))

2.800
2.000
2.000 peak
5652
weight
0.11000E+01 volume
0.18150E+03 ppm1
3.131
ppm2
4.775

ASSI {5672}

((segid “BrD” and resid 57 and name HA))

((segid “BrD” and resid 57 and name HD1))

2.600
1.700
1.700 peak
5672
weight
0.11000E+01 volume
0.27608E+03 ppm1
4.805
ppm2
2.387

ASSI {5682}

((segid “BrD” and resid 57 and name HA))

((segid “BrD” and resid 57 and name HG2))

2.900
2.100
2.100 peak
5682
weight
0.11000E+01 volume
0.12195E+03 ppm1
4.805
ppm2
2.016

ASSI {5712}

((segid “BrD” and resid 57 and name HB2))

((segid “BrD” and resid 57 and name HA))

2.500
1.600
1.600 peak
5712
weight
0.11000E+01 volume
0.35277E+03 ppm1
2.843
ppm2
4.600

ASSI {5722}

((segid “BrD” and resid 57 and name HB1))

((segid “BrD” and resid 57 and name HA))

2.400
1.400
1.400 peak
5722
weight
0.11000E+01 volume
0.42344E+03 ppm1
2.935
ppm2
4.798

ASSI {5732}

((segid “BrD” and resid 57 and name HE1))

((segid “BrD” and resid 57 and name HG2))

2.300
1.200
1.200 peak
5732
weight
0.11000E+01 volume
0.67766E+03 ppm1
3.572
ppm2
2.017

ASSI {5752}

((segid “BrD” and resid 57 and name HD2))

((segid “BrD” and resid 57 and name HA))

2.600
1.700
1.700 peak
5753
weight
0.11000E+01 volume
0.24171E+03 ppm1
2.295
ppm2
4.800

ASSI {5762}

((segid “BrD” and resid 57 and name HD1))

((segid “BrD” and resid 57 and name HE1))

2.100
1.100
1.100 peak
5762
weight
0.11000E+01 volume
0.83932E+03 ppm1
2.387
ppm2
3.591

ASSI {5772}

((segid “BrD” and resid 57 and name HD2))

((segid “BrD” and resid 57 and name HE1))

2.100
1.100
1.100 peak
5772
weight
0.11000E+01 volume
0.96087E+03 ppm1
2.289
ppm2
3.591

ASSI {5792}

((segid “BrD” and resid 12 and name HA))

((segid “BrD” and resid 12 and name HB2))

2.700
1.800
1.800 peak
5792
weight
0.11000E+01 volume
0.22035E+03 ppm1
5.297
ppm2
3.338

ASSI {5812}

((segid “BrD” and resid 57 and name HG1))

((segid “BrD” and resid 57 and name HE1))

2.600
1.700
1.700 peak
5812
weight
0.11000E+01 volume
0.23002E+03 ppm1
2.099
ppm2
3.590

ASSI {5822}

((segid “BrD” and resid 26 and name HA))

((segid “BrD” and resid 26 and name HB1))

2.100
1.100
1.100 peak
5822
weight
0.11000E+01 volume
0.10358E+04 ppm1
4.509
ppm2
2.482

ASSI {5832}

((segid “BrD” and resid 26 and name HA))

((segid “BrD” and resid 26 and name HD1))

2.700
1.800
1.800 peak
5832
weight
0.11000E+01 volume
0.18918E+03 ppm1
4.509
ppm2
2.109

ASSI {5842}

((segid “BrD” and resid 26 and name HA))

((segid “BrD” and resid 26 and name HG1))

3.200
2.600
2.300 peak
5842
weight
0.11000E+01 volume
0.75991E+02 ppm1
4.509
ppm2
1.629

ASSI {5852}

((segid “BrD” and resid 10 and name HA))

((segid “BrD” and resid 10 and name HB2))

2.800
2.000
2.000 peak
5852
weight
0.11000E+01 volume
0.18381E+03 ppm1
5.478
ppm2
3.300

ASSI {5862}

((segid “BrD” and resid 56 and name HA))

((segid “BrD” and resid 56 and name HB2))

2.800
2.000
2.000 peak
5862
weight
0.11000E+01 volume
0.18369E+03 ppm1
4.607
ppm2
2.003

ASSI {5872}

(segid “BrD” and resid 56 and name HD2 %)

((segid “BrD” and resid 56 and name HB2))

2.600
1.700
1.700 peak
5872
weight
0.11000E+01 volume
0.24752E+03 ppm1
1.254
ppm2
2.004

ASSI {5882}

(segid “BrD” and resid 69 and name HG1 %)

((segid “BrD” and resid 69 and name HB))

2.100
1.100
1.100 peak
5882
weight
0.11000E+01 volume
0.96122E+03 ppm1
1.548
ppm2
2.922

ASSI {5892}

(segid “BrD” and resid 69 and name HG2 %)

((segid “BrD” and resid 69 and name HB))

2.100
1.100
1.100 peak
5892
weight
0.11000E+01 volume
0.91489E+03 ppm1
1.424
ppm2
2.919

ASSI {5902}

(segid “BrD” and resid 69 and name HG2 %)

((segid “BrD” and resid 69 and name HA))

2.600
1.700
1.700 peak
5902
weight
0.11000E+01 volume
0.28227E+03 ppm1
1.425
ppm2
4.696

ASSI {5912}

(segid “BrD” and resid 78 and name HD2 %)

((segid “BrD” and resid 78 and name HA))

2.800
2.000
2.000 peak
5912
weight
0.11000E+01 volume
0.18293E+03 ppm1
0.662
ppm2
3.999

ASSI {5922}

(segid “BrD” and resid 78 and name HD2 %)

((segid “BrD” and resid 78 and name HB2))

2.600
1.700
1.700 peak
5922
weight
0.11000E+01 volume
0.24706E+03 ppm1
0.662
ppm2
1.039

ASSI {5932}

(segid “BrD” and resid 78 and name HD2 %)

((segid “BrD” and resid 78 and name HG))

2.300
1.300
1.300 peak
5932
weight
0.11000E+01 volume
0.60283E+03 ppm1
0.662
ppm2
1.270

ASSI {5962}

((segid “BrD” and resid 18 and name HA))

(segid “BrD” and resid 18 and name HD1 %)

2.600
1.700
1.700 peak
5962
weight
0.11000E+01 volume
0.27810E+03 ppm1
3.867
ppm2
1.079

ASSI {5982}

(segid “BrD” and resid 18 and name HD1 %)

((segid “BrD” and resid 18 and name HG))

2.700
1.800
1.800 peak
5982
weight
0.11000E+01 volume
0.22916E+03 ppm1
1.057
ppm2
2.278

ASSI {5992}

(segid “BrD” and resid 18 and name HD2 %)

((segid “BrD” and resid 18 and name HB1))

2.600
1.700
1.700 peak
5992
weight
0.11000E+01 volume
0.25721E+03 ppm1
0.418
ppm2
2.137

ASSI {6002}

((segid “BrD” and resid 102 and name HG))

(segid “BrD” and resid 102 and name HD1 %)

2.300
1.300
1.300 peak
6002
weight
0.11000E+01 volume
0.47853E+03 ppm1
2.141
ppm2
1.324

ASSI {6012}

((segid “BrD” and resid 73 and name HB2))

(segid “BrD” and resid 73 and name HD2 %)

2.300
1.300
1.300 peak
6012
weight
0.11000E+01 volume
0.54334E+03 ppm1
2.583
ppm2
1.483

ASSI {6052}

((segid “BrD” and resid 73 and name HA))

((segid “BrD” and resid 73 and name HB1))

2.400
1.400
1.400 peak
6052
weight
0.11000E+01 volume
0.44904E+03 ppm1
4.803
ppm2
2.364

ASSI {6074}

(segid “BrD” and resid 73 and name HD1 %)

((segid “BrD” and resid 73 and name HA))

2.500
1.600
1.600 peak
6072
weight
0.11000E+01 volume
0.30560E+03 ppm1
1.549
ppm2
4.825

ASSI {6112}

((segid “BrD” and resid 56 and name HB1))

(segid “BrD” and resid 56 and name HD1 %)

2.700
1.800
1.800 peak
6112
weight
0.11000E+01 volume
0.20480E+03 ppm1
2.685
ppm2
1.538

ASSI {6122}

((segid “BrD” and resid 56 and name HB2))

(segid “BrD” and resid 56 and name HD1 %)

2.900
2.100
2.100 peak
6122
weight
0.11000E+01 volume
0.13067E+03 ppm1
1.994
ppm2
1.538

ASSI {6162}

((segid “BrD” and resid 56 and name HG))

(segid “BrD” and resid 56 and name HD1 %)

2.300
1.300
1.300 peak
6162
weight
0.11000E+01 volume
0.52968E+03 ppm1
2.339
ppm2
1.539

ASSI {6212}

((segid “BrD” and resid 22 and name HA))

(segid “BrD” and resid 22 and name HD1 %)

2.500
1.600
1.600 peak
6212
weight
0.11000E+01 volume
0.33531E+03 ppm1
4.706
ppm2
1.648

ASSI {6232}

(segid “BrD” and resid 22 and name HD1 %)

((segid “BrD” and resid 22 and name HB1))

2.400
1.400
1.400 peak
6232
weight
0.11000E+01 volume
0.37274E+03 ppm1
1.648
ppm2
2.702

ASSI {6242}

(segid “BrD” and resid 22 and name HD1 %)

((segid “BrD” and resid 22 and name HG))

2.200
1.200
1.200 peak
6242
weight
0.11000E+01 volume
0.77165E+03 ppm1
1.648
ppm2
2.361

ASSI {6272}

(segid “BrD” and resid 63 and name HD2 %)

((segid “BrD” and resid 63 and name HG))

2.600
1.700
1.700 peak
6272
weight
0.11000E+01 volume
0.24631E+03 ppm1
1.498
ppm2
2.424

ASSI {6282}

(segid “BrD” and resid 63 and name HD1 %)

((segid “BrD” and resid 63 and name HG))

2.700
1.800
1.800 peak
6282
weight
0.11000E+01 volume
0.31403E+03 ppm1
1.649
ppm2
2.424

ASSI {6322}

((segid “BrD” and resid 66 and name HG2))

((segid “BrD” and resid 66 and name HD2))

2.500
1.600
1.600 peak
6322
weight
0.11000E+01 volume
0.35570E+03 ppm1
2.140
ppm2
3.637

ASSI {6352}

((segid “BrD” and resid 66 and name HD2))

((segid “BrD” and resid 66 and name HA))

2.500
1.600
1.600 peak
6352
weight
0.11000E+01 volume
0.30900E+03 ppm1
3.631
ppm2
4.998

ASSI {6392}

((segid “BrD” and resid 100 and name HB1))

((segid “BrD” and resid 100 and name HA))

2.100
1.100
1.100 peak
6192
weight
0.11000E+01 volume
0.94220E+03 ppm1
3.455
ppm2
4.949

ASSI {6412}

((segid “BrD” and resid 114 and name HA1))

((segid “BrD” and resid 114 and name HA2)

2.100
1.100
1.100 peak
6412
weight
0.11000E+01 volume
0.97579E+03 ppm1
4.600
ppm2
4.522

ASSI {6432}

((segid “BrD” and resid 85 and name HA))

((segid “BrD” and resid 85 and name HB1))

2.700
1.800
1.800 peak
6432
weight
0.11000E+01 volume
0.21987E+03 ppm1
5.001
ppm2
3.906

ASSI {6442}

((segid “BrD” and resid 85 and name HA))

((segid “BrD” and resid 85 and name HB2))

2.800
2.000
2.000 peak
6442
weight
0.11000E+01 volume
0.16015E+03 ppm1
5.000
ppm2
3.621

ASSI {6492}

((segid “BrD” and resid 98 and name HA))

((segid “BrD” and resid 98 and name HB1))

2.800
2.000
2.000 peak
6492
weight
0.11000E+01 volume
0.16821E+03 ppm1
4.804
ppm2
4.014

ASSI {6502}

((segid “BrD” and resid 98 and name HA))

((segid “BrD” and resid 98 and name HB2))

2.700
1.800
1.800 peak
6502
weight
0.11000E+01 volume
0.19206E+03 ppm1
4.804
ppm2
3.660

ASSI {6512}

((segid “BrD” and resid 32 and name HA))

((segid “BrD” and resid 32 and name HB2))

2.700
1.800
1.800 peak
6512
weight
0.11000E+01 volume
0.22946E+03 ppm1
4.953
ppm2
3.965

ASSI {6522}

((segid “BrD” and resid 32 and name HA))

((segid “BrD” and resid 32 and name HB1))

2.700
1.800
1.800 peak
6522
weight
0.11000E+01 volume
0.20617E+03 ppm1
4.954
ppm2
4.206

ASSI {6552}

((segid “BrD” and resid 11 and name HA))

((segid “BrD” and resid 11 and name HG1))

2.600
1.700
1.700 peak
6552
weight
0.11000E+01 volume
0.23807E+03 ppm1
4.951
ppm2
2.635

ASSI {6562}

((segid “BrD” and resid 53 and name HG1))

((segid “BrD” and resid 53 and name HA))

2.100
2.800
1.800 peak
6562
weight
0.11000E+01 volume
0.10893E+03 ppm1
2.784
ppm2
4.687

ASSI {6572}

((segid “BrD” and resid 31 and name HA))

(segid “BrD” and resid 102 and name HD1 %)

2.500
1.600
1.600 peak
6572
weight
0.11000E+01 volume
0.36090E+03 ppm1
5.000
ppm2
1.323

ASSI {6612}

(segid “BrD” and resid 31 and name HB %)

(segid “BrD” and resid 102 and name HD1 %)

2.500
1.600
1.600 peak
6612
weight
0.11000E+01 volume
0.31261E+03 ppm1
2.289
ppm2
1.320

ASSI {6642}

((segid “BrD” and resid 43 and name HA))

((segid “BrD” and resid 44 and name HD2))

2.400
1.400
1.400 peak
6642
weight
0.11000E+01 volume
0.39497E+03 ppm1
5.547
ppm2
$$

ASSI {6662}

(segid “BrD” and resid 43 and name HB %)

((segid “BrD” and resid 44 and name HD2))

2.700
1.800
1.800 peak
6662
weight
0.11000E+01 volume
0.20471E+03 ppm1
1.700
ppm2
4.135

ASSI {6672}

(segid “BrD” and resid 43 and name HB %)

((segid “BrD” and resid 46 and name HB1))

2.600
1.700
1.700 peak
6672
weight
0.11000E+01 volume
0.27100E+03 ppm1
1.697
ppm2
3.295

ASSI {6682}

(segid “BrD” and resid 43 and name HB %)

((segid “BrD” and resid 46 and name HB2))

2.700
1.800
1.800 peak
6682
weight
0.11000E+01 volume
0.19809E+03 ppm1
1.697
ppm2
3.100

ASSI {6732}

((segid “BrD” and resid 76 and name HA))

((segid “BrD” and resid 79 and name HB1))

2.800
2.000
2.000 peak
6732
weight
0.11000E+01 volume
0.16513E+03 ppm1
4.658
ppm2
2.774

ASSI {6872}

(segid “BrD” and resid 113 and name HB %)

(segid “BrD” and resid 17 and name HG2 %)

2.500
1.600
1.600 peak
6872
weight
0.11000E+01 volume
0.31889E+03 ppm1
1.994
ppm2
1.750

ASSI {6882}

((segid “BrD” and resid 79 and name HA))

((segid “BrD” and resid 79 and name HB1))

2.700
1.800
1.800 peak
6882
weight
0.11000E+01 volume
0.19089E+03 ppm1
4.409
ppm2
2.781

ASSI {6892}

((segid “BrD” and resid 79 and name HA))

((segid “BrD” and resid 79 and name HB2))

2.200
1.200
1.200 peak
6892
weight
0.11000E+01 volume
0.79324E+03 ppm1
4.409
ppm2
2.678

ASSI {6912}

(segid “BrD” and resid 43 and name HB %)

((segid “BrD” and resid 44 and name HD1))

2.900
2.100
2.100 peak
6912
weight
0.11000E+01 volume
0.13650E+03 ppm1
1.700
ppm2
4.337

ASSI {6942}

(segid “BrD” and resid 25 and name HG1 %)

(segid “BrD” and resid 102 and name HD1 %)

2.700
1.800
1.800 peak
6942
weight
0.11000E+01 volume
0.21235E+03 ppm1
1.795
ppm2
1.323

ASSI {6962}

(segid “BrD” and resid 25 and name HG1 %)

(segid “BrD” and resid 78 and name HD1 %)

3.000
2.200
2.200 peak
6962
weight
0.11000E+01 volume
0.99662E+02 ppm1
1.798
ppm2
0.774

ASSI {6972}

(segid “BrD” and resid 25 and name HG1 %)

(segid “BrD” and resid 78 and name HD2 %)

2.800
2.000
2.000 peak
6972
weight
0.11000E+01 volume
0.15213E+03 ppm1
1.797
ppm2
0.673

ASSI {6992}

(segid “BrD” and resid 25 and name HG2 %)

(segid “BrD” and resid 102 and name HD1 %)

2.200
1.200
1.200 peak
6992
weight
0.11000E+01 volume
0.77265E+03 ppm1
1.646
ppm2
1.324

ASSI {7002}

(segid “BrD” and resid 25 and name HG2 %)

(segid “BrD” and resid 78 and name HD1 %)

2.800
2.000
2.000 peak
7002
weight
0.11000E+01 volume
0.16697E+03 ppm1
1.646
ppm2
0.775

ASSI {7022}

((segid “BrD” and resid 38 and name HB))

((segid “BrD” and resid 38 and name HA))

2.800
2.000
2.000 peak
7022
weight
0.11000E+01 volume
0.17527E+03 ppm1
1.751
ppm2
4.170

ASSI {7032}

(segid “BrD” and resid 38 and name HG2 %)

(segid “BrD” and resid 43 and name HB %)

2.200
1.200
1.200 peak
7032
weight
0.11000E+01 volume
0.74974E+03 ppm1
0.808
ppm2
1.715

ASSI {7092}

((segid “BrD” and resid 81 and name HA))

((segid “BrD” and resid 81 and name HB))

2.800
2.000
2.000 peak
7092
weight
0.11000E+01 volume
0.15194E+01 ppm1
3.718
ppm2
2.037

ASSI {7102}

((segid “BrD” and resid 81 and name HB))

((segid “BrD” and resid 78 and name HA))

3.100
2.400
2.400 peak
7102
weight
0.11000E+01 volume
0.98817E+02 ppm1
2.042
ppm2
4.000

ASSI {7122}

(segid “BrD” and resid 81 and name HG1 %)

((segid “BrD” and resid 78 and name HA))

2.600
1.700
1.700 peak
7122
weight
0.11000E+01 volume
0.25254E+03 ppm1
1.059
ppm2
3.999

ASSI {7172}

(segid “BrD” and resid 81 and name HG2 %)

((segid “BrD” and resid 34 and name HB1))

2.600
1.700
1.700 peak
7172
weight
0.11000E+01 volume
0.27152E+03 ppm1
0.755
ppm2
4.106

ASSI {7192}

((segid “BrD” and resid 17 and name HA))

((segid “BrD” and resid 20 and name HB1))

3.200
2.600
2.300 peak
7192
weight
0.11000E+01 volume
0.76028E+02 ppm1
4.542
ppm2
4.671

ASSI {7252}

(segid “BrD” and resid 17 and name HG2 %)

(segid “BrD” and resid 102 and name HD2 %)

5.500
5.500
0.000 peak
7252
weight
0.11000E+01 volume
0.56051E+00 ppm1
1.745
ppm2
1.320

ASSI {7272}

(segid “BrD” and resid 17 and name HG2 %)

(segid “BrD” and resid 18 and name HD2 %)

2.800
2.000
2.000 peak
7272
weight
0.11000E+01 volume
0.14970E+03 ppm1
1.747
ppm2
0.409

ASSI {7352}

(segid “BrD” and resid 58 and name HG2 %)

(segid “BrD” and resid 54 and name HE %)

2.400
1.400
1.400 peak
7352
weight
0.11000E+01 volume
0.41514E+03 ppm1
1.649
ppm2
2.563

ASSI {7482}

((segid “BrD” and resid 32 and name HA))

((segid “BrD” and resid 33 and name HD1))

2.900
2.100
2.100 peak
7482
weight
0.11000E+01 volume
0.12205E+03 ppm1
$$
ppm2
3.451

ASSI {7492}

((segid “BrD” and resid 32 and name HA))

((segid “BrD” and resid 33 and name HG1))

2.900
2.100
2.100 peak
7492
weight
0.11000E+01 volume
0.14430E+03 ppm1
4.952
ppm2
2.776

ASSI {7502}

((segid “BrD” and resid 62 and name HA))

((segid “BrD” and resid 62 and name HB1))

2.700
1.800
1.800 peak
7502
weight
0.11000E+01 volume
0.21435E+03 ppm1
4.457
ppm2
2.657

ASSI {7522}

((segid “BrD” and resid 62 and name HA))

((segid “BrD” and resid 62 and name HG2))

2.800
2.000
2.000 peak
7522
weight
0.11000E+01 volume
0.15009E+03 ppm1
4.457
ppm2
1.478

ASSI {7532}

((segid “BrD” and resid 62 and name HA))

((segid “BrD” and resid 62 and name HB2))

3.000
2.200
2.200 peak
7532
weight
0.11000E+01 volume
0.10361E+03 ppm1
4.457
ppm2
1.681

ASSI {7652}

((segid “BrD” and resid 74 and name HA))

(segid “BrD” and resid 59 and name HE %))

3.100
2.400
2.400 peak
7652
weight
0.11000E+01 volume
0.93787E+02 ppm1
4.361
ppm2
1.879

ASSI {7662}

((segid “BrD” and resid 74 and name HB1))

((segid “BrD” and resid 71 and name HA))

3.100
2.400
2.400 peak
7662
weight
0.11000E+01 volume
0.98803E+02 ppm1
3.576
ppm2
4.627

ASSI {7722}

((segid “BrD” and resid 105 and name HA))

((segid “BrD” and resid 108 and name HB1))

3.100
2.400
2.400 peak
7722
weight
0.11000E+01 volume
0.93160E+02 ppm1
4.902
ppm2
4.582

ASSI {7752}

((segid “BrD” and resid 107 and name HA))

((segid “BrD” and resid 110 and name HB))

2.800
2.000
2.000 peak
7752
weight
0.11000E+01 volume
0.15544E+03 ppm1
4.410
ppm2
2.360

ASSI {7762}

((segid “BrD” and resid 96 and name HA))

(segid “BrD” and resid 99 and name HB %)

3.400
2.900
2.100 peak
7762
weight
0.11000E+01 volume
0.54211E+02 ppm1
4.409
ppm2
2.206

ASSI {7772}

((segid “BrD” and resid 107 and name HA))

((segid “BrD” and resid 110 and name HG11))

3.100
2.400
2.400 peak
7772
weight
0.11000E+01 volume
0.86608E+02 ppm1
4.408
ppm2
1.715

ASSI {7782}

((segid “BrD” and resid 107 and name HA))

((segid “BrD” and resid 110 and name HG12))

2.900
2.100
2.100 peak
7782
weight
0.11000E+01 volume
0.14800E+03 ppm1
4.408
ppm2
1.661

ASSI {7792}

((segid “BrD” and resid 107 and name HA))

(segid “BrD” and resid 110 and name HG2 %)

3.100
2.400
2.400 peak
7792
weight
0.11000E+01 volume
0.86153E+02 ppm1
4.408
ppm2
1.261

ASSI {7802}

((segid “BrD” and resid 107 and name HA))

(segid “BrD” and resid 110 and name HD1 %)

3.000
2.200
2.200 peak
7802
weight
0.11000E+01 volume
0.11960E+03 ppm1
4.408
ppm2
1.141

ASSI {7872}

((segid “BrD” and resid 49 and name HA))

((segid “BrD” and resid 91 and name HD2))

2.700
1.800
1.800 peak
7872
weight
0.11000E+01 volume
0.22343E+03 ppm1
5.641
ppm2
4.407

ASSI {7892}

((segid “BrD” and resid 100 and name HA))

((segid “BrD” and resid 103 and name HB2))

2.900
2.100
2.100 peak
7892
weight
0.11000E+01 volume
0.12930E+03 ppm1
4.952
ppm2
1.897

ASSI {7922}

((segid “BrD” and resid 100 and name HB2))

((segid “BrD” and resid 97 and name HA))

2.600
1.700
1.700 peak
7922
weight
0.11000E+01 volume
0.24354E+03 ppm1
3.455
ppm2
4.798

ASSI {7932}

((segid “BrD” and resid 100 and name HB2))

((segid “BrD” and resid 97 and name HA))

2.600
1.700
1.700 peak
7932
weight
0.11000E+01 volume
0.23409E+03 ppm1
3.424
ppm2
4.799

ASSI {7962}

((segid “BrD” and resid 12 and name HA))

((segid “BrD” and resid 15 and name HB2))

2.900
2.100
2.100 peak
7962
weight
0.11000E+01 volume
0.12451E+03 ppm1
5.298
ppm2
3.646

ASSI {7972}

((segid “BrD” and resid 12 and name HA))

((segid “BrD” and resid 15 and name HB1))

3.100
2.400
2.400 peak
7972
weight
0.11000E+01 volume
0.81954E+02 ppm1
5.297
ppm2
3.812

ASSI {8032}

((segid “BrD” and resid 77 and name HA))

((segid “BrD” and resid 80 and name HG1))

3.000
2.200
2.200 peak
8032
weight
0.11000E+01 volume
0.10885E+03 ppm1
4.952
ppm2
2.347

ASSI {8062}

((segid “BrD” and resid 85 and name HB2))

((segid “BrD” and resid 82 and name HA))

3.000
2.200
2.200 peak
8062
weight
0.11000E+01 volume
0.10120E+03 ppm1
3.621
ppm2
4.753

ASSI {8072}

((segid “BrD” and resid 98 and name HB2))

((segid “BrD” and resid 95 and name HA))

3.100
2.400
2.400 peak
8072
weight
0.11000E+01 volume
0.94016E+02 ppm1
3.667
ppm2
4.447

ASSI {8102}

((segid “BrD” and resid 63 and name HB1))

((segid “BrD” and resid 60 and name HA))

2.600
1.700
1.700 peak
8102
weight
0.11000E+01 volume
0.27762E+03 ppm1
2.883
ppm2
4.808

ASSI {8112}

((segid “BrD” and resid 63 and name HB2))

((segid “BrD” and resid 60 and name HA))

2.700
1.800
1.800 peak
8112
weight
0.11000E+01 volume
0.20887E+03 ppm1
2.538
ppm2
4.809

ASSI {8142}

(segid “BrD” and resid 63 and name HD1 %)

((segid “BrD” and resid 18 and name HB2))

2.800
2.000
2.000 peak
8142
weight
0.11000E+01 volume
0.16157E+03 ppm1
1.649
ppm2
0.919

ASSI {8152}

(segid “BrD” and resid 63 and name HD1 %)

(segid “BrD” and resid 18 and name HD1 %)

2.700
1.800
1.800 peak
8152
weight
0.11000E+01 volume
0.20633E+03 ppm1
1.646
ppm2
1.085

ASSI {8162}

(segid “BrD” and resid 63 and name HD1 %)

((segid “BrD” and resid 18 and name HB1))

2.400
1.400
1.400 peak
8162
weight
0.11000E+01 volume
0.38153E+03 ppm1
1.649
ppm2
2.139

ASSI {8172}

(segid “BrD” and resid 63 and name HD2 %)

((segid “BrD” and resid 19 and name HA))

2.400
1.400
1.400 peak
8172
weight
0.11000E+01 volume
0.45741E+03 ppm1
1.501
ppm2
4.295

ASSI {8182}

((segid “BrD” and resid 14 and name HB2))

((segid “BrD” and resid 14 and name HG))

3.100
2.400
2.400 peak
8182
weight
0.11000E+01 volume
0.92156E+02 ppm1
2.145
ppm2
2.059

ASSI {8192}

((segid “BrD” and resid 14 and name HB1))

((segid “BrD” and resid 14 and name HG))

2.600
1.700
1.700 peak
8192
weight
0.11000E+01 volume
0.23309E+03 ppm1
2.444
ppm2
2.059

ASSI {8222}

(segid “BrD” and resid 14 and name HD2 %)

(segid “BrD” and resid 18 and name HD2 %)

2.500
1.600
1.600 peak
8222
weight
0.11000E+01 volume
0.31711E+03 ppm1
1.401
ppm2
0.409

ASSI {8232}

(segid “BrD” and resid 14 and name HD2 %)

(segid “BrD” and resid 18 and name HD1 %)

2.400
1.400
1.400 peak
8232
weight
0.11000E+01 volume
0.46026E+03 ppm1
1.401
ppm2
1.085

ASSI {8302}

((segid “BrD” and resid 18 and name HA))

((segid “BrD” and resid 18 and name HB2))

2.700
1.800
1.800 peak
8302
weight
0.11000E+01 volume
0.20320E+03 ppm1
3.867
ppm2
0.920

ASSI {8392}

(segid “BrD” and resid 18 and name HD1 %)

((segid “BrD” and resid 18 and name HB2))

2.400
1.400
1.400 peak
8392
weight
0.11000E+01 volume
0.39910E+03 ppm1
1.057
ppm2
0.925

ASSI {8402}

(segid “BrD” and resid 18 and name HD1 %)

((segid “BrD” and resid 74 and name HW1))

1.000
2.200
2.200 peak
8402
weight
0.11000E+01 volume
0.10291E+03 ppm1
1.056
ppm2
3.563

ASSI {8412}

(segid “BrD” and resid 18 and name HD1 %)

((segid “BrD” and resid 74 and name HB2))

2.900
2.100
2.100 peak
8412
weight
0.11000E+01 volume
0.13686E+03 ppm1
1.057
ppm2
2.998

ASSI {8442}

(segid “BrD” and resid 18 and name HD2 %)

(segid “BrD” and resid 14 and name HD1 %)

2.900
2.100
2.100 peak
8442
weight
0.11000E+01 volume
0.12935E+03 ppm1
0.412
ppm2
1.417

ASSI {8452}

(segid “BrD” and resid 18 and name HD2 %)

((segid “BrD” and resid 18 and name HB2))

2.800
2.000
2.000 peak
8452
weight
0.11000E+01 volume
0.15454E+03 ppm1
0.415
ppm2
0.917

ASSI {8442}

(segid “BrD” and resid 18 and name HD2 %)

(segid “BrD” and resid 102 and name HD2 %)

5.500
5.500
0.000 peak
8462
weight
0.11000E+01 volume
0.22428E+01 ppm1
0.414
ppm2
1.320

ASSI {8552}

((segid “BrD” and resid 22 and name HB1))

((segid “BrD” and resid 19 and name HA))

2.600
1.700
1.700 peak
8552
weight
0.11000E+01 volume
0.27759E+03 ppm1
2.682
ppm2
4.295

ASSI {8562}

((segid “BrD” and resid 22 and name HB2))

(segid “BrD” and resid 22 and name HD1 %)

2.500
1.600
1.600 peak
8562
weight
0.11000E+01 volume
0.30282E+03 ppm1
2.286
ppm2
1.671

ASSI {8602}

((segid “BrD” and resid 22 and name HA))

((segid “BrD” and resid 25 and name HB))

2.600
1.700
1.700 peak
8602
weight
0.11000E+01 volume
0.25484E+03 ppm1
4.706
ppm2
2.980

ASSI {8652}

(segid “BrD” and resid 56 and name HD1 %)

((segid “BrD” and resid 56 and name HA))

2.500
1.600
1.600 peak
8652
weight
0.11000E+01 volume
0.34489E+03 ppm1
1.544
ppm2
4.638

ASSI {8672}

(segid “BrD” and resid 56 and name HD2 %)

(segid “BrD” and resid 78 and name HD2 %)

2.900
2.100
2.100 peak
8672
weight
0.11000E+01 volume
0.14779E+03 ppm1
1.253
ppm2
0.674

ASSI {8682}

(segid “BrD” and resid 56 and name HD2 %)

(segid “BrD” and resid 78 and name HD1 %)

2.300
1.300
1.300 peak
8682
weight
0.11000E+01 volume
0.48347E+03 ppm1
1.254
ppm2
0.767

ASSI {8722}

((segid “BrD” and resid 73 and name HA))

(segid “BrD” and resid 76 and name HB %)

2.700
1.800
1.800 peak
8722
weight
0.11000E+01 volume
0.22156E+03 ppm1
4.805
ppm2
2.101

ASSI {8742}

(segid “BrD” and resid 73 and name HD1 %)

((segid “BrD” and resid 73 and name HB1))

2.400
1.400
1.400 peak
8742
weight
0.11000E+01 volume
0.42630E+03 ppm1
1.549
ppm2
2.594

ASSI {8752}

((segid “BrD” and resid 78 and name HA))

(segid “BrD” and resid 59 and name HE %)

3.300
2.700
2.200 peak
8752
weight
0.11000E+01 volume
0.67002E+02 ppm1
3.967
ppm2
1.876

ASSI {8782}

((segid “BrD” and resid 78 and name HB1))

(segid “BrD” and resid 59 and name HE %)

3.200
2.600
2.300 peak
8782
weight
0.11000E+01 volume
0.75592E+02 ppm1
1.307
ppm2
1.876

ASSI {8792}

((segid “BrD” and resid 78 and name HB2))

(segid “BrD” and resid 59 and name HE %)

2.900
2.100
2.100 peak
8792
weight
0.11000E+01 volume
0.13248E+03 ppm1
1.054
ppm2
1.876

ASSI {8802}

((segid “BrD” and resid 78 and name HB1))

((segid “BrD” and resid 75 and name HA))

3.100
2.400
2.400 peak
8802
weight
0.11000E+01 volume
0.93675E+02 ppm1
1.305
ppm2
4.520

ASSI {8812}

((segid “BrD” and resid 78 and name HG))

(segid “BrD” and resid 59 and name HE %)

3.200
2.600
2.300 peak
8812
weight
0.11000E+01 volume
0.81269E+02 ppm1
1.254
ppm2
1.878

ASSI {8822}

(segid “BrD” and resid 78 and name HD1 %)

(segid “BrD” and resid 81 and name HG1 %)

2.600
1.700
1.700 peak
8822
weight
0.11000E+01 volume
0.25375E+03 ppm1
0.761
ppm2
1.078

ASSI {8852}

(segid “BrD” and resid 78 and name HD1 %)

(segid “BrD” and resid 59 and name HE %)

2.900
2.100
2.100 peak
8852
weight
0.11000E+01 volume
0.13937E+03 ppm1
0.761
ppm2
1.875

ASSI {8872}

(segid “BrD” and resid 78 and name HD2 %)

(segid “BrD” and resid 25 and name HG2 %)

2.600
1.700
1.700 peak
8872
weight
0.11000E+01 volume
0.25847E+03 ppm1
0.662
ppm2
1.637

ASSI {8892}

(segid “BrD” and resid 78 and name HD2 %)

(segid “BrD” and resid 81 and name HG1 %)

2.800
2.000
2.000 peak
8892
weight
0.11000E+01 volume
0.17974E+03 ppm1
0.662
ppm2
1.078

ASSI {8912}

(segid “BrD” and resid 78 and name HD2 %)

(segid “BrD” and resid 59 and name HE %)

2.600
1.700
1.700 peak
8912
weight
0.11000E+01 volume
0.24075E+03 ppm1
0.662
ppm2
1.875

ASSI {8922}

((segid “BrD” and resid 102 and name HA))

((segid “BrD” and resid 105 and name HB1))

2.800
2.000
2.000 peak
8922
weight
0.11000E+01 volume
0.18319E+03 ppm1
4.263
ppm2
1.742

ASSI {8932}

((segid “BrD” and resid 102 and name HA))

((segid “BrD” and resid 105 and name HB2))

2.700
1.800
1.800 peak
8932
weight
0.11000E+01 volume
0.21483E+03 ppm1
4.263
ppm2
3.674

ASSI {8952}

((segid “BrD” and resid 102 and name HB1))

((segid “BrD” and resid 99 and name HA))

2.900
2.100
2.100 peak
8952
weight
0.11000E+01 volume
0.14144E+03 ppm1
1.993
ppm2
4.442

ASSI {8972}

(segid “BrD” and resid 102 and name HD1 %)

((segid “BrD” and resid 25 and name HA))

2.700
1.800
1.800 peak
8972
weight
0.11000E+01 volume
0.20447E+03 ppm1
1.303
ppm2
4.434

ASSI {8982}

(segid “BrD” and resid 102 and name HD1 %)

((segid “BrD” and resid 105 and name HB1))

3.000
2.200
2.200 peak
8982
weight
0.11000E+01 volume
0.11841E+03 ppm1
1.303
ppm2
3.740

ASSI {8992}

(segid “BrD” and resid 102 and name HD1 %)

((segid “BrD” and resid 105 and name HB2))

2.800
2.000
2.000 peak
8992
weight
0.11000E+01 volume
0.16956E+03 ppm1
1.303
ppm2
3.689

ASSI {9002}

(segid “BrD” and resid 102 and name HD1 %)

((segid “BrD” and resid 28 and name HB1))

2.600
1.700
1.700 peak
9002
weight
0.11000E+01 volume
0.27744E+03 ppm1
1.303
ppm2
3.603

ASSI {9012}

(segid “BrD” and resid 102 and name HD1 %)

((segid “BrD” and resid 28 and name HB2))

2.800
2.000
2.000 peak
9012
weight
0.11000E+01 volume
0.15194E+03 ppm1
1.303
ppm2
3.402

ASSI {9062}

((segid “BrD” and resid 115 and name HB1))

(segid “BrD” and resid 115 and name HD1 %)

2.300
1.300
1.300 peak
9062
weight
0.11000E+01 volume
0.58334E+03 ppm1
2.190
ppm2
1.348

ASSI {9082}

((segid “BrD” and resid 21 and name HA))

((segid “BrD” and resid 24 and name HB1))

3.000
2.200
2.200 peak
9082
weight
0.11000E+01 volume
0.11815E+03 ppm1
4.360
ppm2
3.074

ASSI {9092}

((segid “BrD” and resid 31 and name HB))

((segid “BrD” and resid 18 and name HA))

2.800
2.000
2.000 peak
9092
weight
0.11000E+01 volume
0.16218E+03 ppm1
2.488
ppm2
3.884

ASSI {9182}

(segid “BrD” and resid 21 and name HD1 %)

(segid “BrD” and resid 18 and name HD2 %)

2.900
2.100
2.100 peak
9182
weight
0.11000E+01 volume
0.13133E+03 ppm1
1.203
ppm2
0.410

ASSI {9222}

(segid “BrD” and resid 21 and name HD1 %)

((segid “BrD” and resid 18 and name HA))

2.900
2.100
2.100 peak
9222
weight
0.11000E+01 volume
0.13713E+03 ppm1
1.205
ppm2
3.883

ASSI {9242}

((segid “BrD” and resid 50 and name HG11))

((segid “BrD” and resid 50 and name HG12))

2.500
1.600
1.600 peak
9242
weight
0.11000E+01 volume
0.31586E+03 ppm1
1.397
ppm2
0.834

ASSI {9292}

(segid “BrD” and resid 50 and name HG2 %)

((segid “BrD” and resid 53 and name HB1))

2.700
1.800
1.800 peak
9292
weight
0.11000E+01 volume
0.22449E+03 ppm1
1.006
ppm2
2.820

ASSI {9302}

(segid “BrD” and resid 50 and name HG2 %)

((segid “BrD” and resid 53 and name HG2))

3.100
2.400
2.400 peak
9302
weight
0.11000E+01 volume
0.95431E+02 ppm1
1.006
ppm2
2.500

ASSI {9312}

(segid “BrD” and resid 50 and name HG2 %)

((segid “BrD” and resid 84 and name HB2))

2.800
2.000
2.000 peak
9312
weight
0.11000E+01 volume
0.16689E+03 ppm1
1.004
ppm2
3.271

ASSI {9322}

(segid “BrD” and resid 50 and name HG2 %)

((segid “BrD” and resid 53 and name HA))

2.500
1.600
1.600 peak
9322
weight
0.11000E+01 volume
0.33859E+03 ppm1
1.008
ppm2
4.690

ASSI {9332}

((segid “BrD” and resid 101 and name HA))

((segid “BrD” and resid 104 and name HD1))

3.000
2.200
2.200 peak
9332
weight
0.11000E+01 volume
0.11803E+03 ppm1
4.265
ppm2
2.302

ASSI {9342}

((segid “BrD” and resid 101 and name HB))

((segid “BrD” and resid 98 and name HA))

2.500
1.600
1.600 peak
9342
weight
0.11000E+01 volume
0.31366E+03 ppm1
2.533
ppm2
4.810

ASSI {9372}

((segid “BrD” and resid 101 and name HG11))

((segid “BrD” and resid 101 and name HG12))

2.300
1.300
1.300 peak
9372
weight
0.11000E+01 volume
0.48997E+03 ppm1
2.444
ppm2
1.807

ASSI {9422}

(segid “BrD” and resid 101 and name HD1 %)

((segid “BrD” and resid 98 and name HA))

2.600
1.700
1.700 peak
9422
weight
0.11000E+01 volume
0.26958E+03 ppm1
1.547
ppm2
4.810

ASSI {9432}

((segid “BrD” and resid 110 and name HA))

((segid “BrD” and resid 110 and name HG12))

3.000
2.200
2.200 peak
9432
weight
0.11000E+01 volume
0.11168E+03 ppm1
4.411
ppm2
1.651

ASSI {9442}

((segid “BrD” and resid 110 and name HA))

(segid “BrD” and resid 113 and name HB %)

2.700
1.800
1.800 peak
9442
weight
0.11000E+01 volume
0.20383E+03 ppm1
4.411
ppm2
1.976

ASSI {9712}

((segid “BrD” and resid 24 and name HA))

((segid “BrD” and resid 24 and name HB2))

2.500
1.600
1.600 peak
9712
weight
0.11000E+01 volume
0.30771E+03 ppm1
4.784
ppm2
2.989

ASSI {9762}

((segid “BrD” and resid 23 and name HA))

((segid “BrD” and resid 23 and name HB2))

2.300
1.300
1.300 peak
9762
weight
0.11000E+01 volume
0.47366E+03 ppm1
4.653
ppm2
2.857

ASSI {9772}

((segid “BrD” and resid 23 and name HA))

((segid “BrD” and resid 23 and name HB1))

2.400
1.400
1.400 peak
9772
weight
0.11000E+01 volume
0.38829E+03 ppm1
4.653
ppm2
2.930

ASSI {9782}

((segid “BrD” and resid 13 and name HB1))

((segid “BrD” and resid 13 and name HA))

2.900
2.100
2.100 peak
9782
weight
0.11000E+01 volume
0.14088E+03 ppm1
2.733
ppm2
4.775

ASSI {9802}

((segid “BrD” and resid 103 and name HA))

((segid “BrD” and resid 103 and name HB2))

2.900
2.100
2.100 peak
9802
weight
0.11000E+01 volume
0.13225E+03 ppm1
3.769
ppm2
1.897

ASSI {9812}

((segid “BrD” and resid 103 and name HA))

((segid “BrD” and resid 103 and name HB1))

2.800
2.000
2.000 peak
9812
weight
0.11000E+01 volume
0.16112E+03 ppm1
3.769
ppm2
2.346

ASSI {9822}

((segid “BrD” and resid 103 and name HA))

((segid “BrD” and resid 106 and name HB1))

2.800
2.000
2.000 peak
9822
weight
0.11000E+01 volume
0.15761E+03 ppm1
3.769
ppm2
3.917

ASSI {9832}

((segid “BrD” and resid 103 and name HA))

((segid “BrD” and resid 106 and name HB2))

2.800
2.000
2.000 peak
9832
weight
0.11000E+01 volume
0.15186E+03 ppm1
3.769
ppm2
3.702

ASSI {9862}

((segid “BrD” and resid 10 and name HA))

((segid “BrD” and resid 11 and name HD1))

3.000
2.200
2.200 peak
9862
weight
0.11000E+01 volume
0.11074E+03 ppm1
5.479
ppm2
4.464

ASSI {9872}

((segid “BrD” and resid 22 and name HB2))

((segid “BrD” and resid 19 and name HA))

2.800
2.000
2.000 peak
9872
weight
0.11000E+01 volume
0.16684E+03 ppm1
2.286
ppm2
4.297

ASSI {9912}

((segid “BrD” and resid 36 and name HB1))

((segid “BrD” and resid 36 and name HA))

2.700
1.800
1.800 peak
9912
weight
0.11000E+01 volume
0.21618E+03 ppm1
2.685
ppm2
5.445

ASSI {9922}

((segid “BrD” and resid 36 and name HB2))

((segid “BrD” and resid 36 and name HA))

2.800
2.000
2.000 peak
9922
weight
0.11000E+01 volume
0.17054E+03 ppm1
2.340
ppm2
5.444

ASSI {9932}

((segid “BrD” and resid 36 and name HB1))

((segid “BrD” and resid 37 and name HD1))

5.500
5.500
0.000 peak
9932
weight
0.11000E+01 volume
0.21944E+00 ppm1
2.686
ppm2
4.296

ASSI {9942}

((segid “BrD” and resid 36 and name HB2))

((segid “BrD” and resid 37 and name HD1))

3.900
3.800
1.600 peak
9942
weight
0.11000E+01 volume
0.23373E+02 ppm1
2.341
ppm2
4.296

ASSI {9952}

((segid “BrD” and resid 36 and name HG1))

((segid “BrD” and resid 37 and name HD1))

2.600
1.700
1.700 peak
9952
weight
0.11000E+01 volume
0.23785E+03 ppm1
2.781
ppm2
4.289

ASSI {9962}

((segid “BrD” and resid 54 and name HB1))

((segid “BrD” and resid 54 and name HA))

2.900
2.100
2.100 peak
9962
weight
0.11000E+01 volume
0.14616E+03 ppm1
2.585
ppm2
5.542

ASSI {9982}

((segid “BrD” and resid 54 and name HB2))

((segid “BrD” and resid 54 and name HG1))

2.900
2.100
2.100 peak
9982
weight
0.11000E+01 volume
0.13342E+03 ppm1
1.947
ppm2
3.304

ASSI {10042}

((segid “BrD” and resid 54 and name HA))

((segid “BrD” and resid 54 and name HG1))

3.400
2.900
2.100 peak
10042
weight
0.11000E+01 volume
0.51922E+02 ppm1
5.541
ppm2
3.304

ASSI {10062}

((segid “BrD” and resid 35 and name HA))

((segid “BrD” and resid 35 and name HB2))

3.000
2.200
2.200 peak
10062
weight
0.11000E+01 volume
0.10268E+03 ppm1
4.904
ppm2
2.781

ASSI {10072}

((segid “BrD” and resid 35 and name HA))

((segid “BrD” and resid 35 and name HB1))

3.100
2.400
2.400 peak
10072
weight
0.11000E+01 volume
0.86087E+02 ppm1
4.904
ppm2
2.831

ASSI {10112}

((segid “BrD” and resid 70 and name HB1))

(segid “BrD” and resid 69 and name HG2 %)

4.700
4.700
0.800 peak
10112
weight
0.11000E+01 volume
0.77364E+01 ppm1
4.756
ppm2
1.427

ASSI {10122}

((segid “BrD” and resid 70 and name HB2))

(segid “BrD” and resid 69 and name HG2 %)

4.800
4.800
0.700 peak
10122
weight
0.11000E+01 volume
0.67595E+01 ppm1
4.359
ppm2
1.428

ASSI {10132}

((segid “BrD” and resid 70 and name HB2))

(segid “BrD” and resid 69 and name HG1 %)

3.200
2.600
2.300 peak
10132
weight
0.11000E+01 volume
0.71828E+02 ppm1
4.360
ppm2
1.543

ASSI {10232}

((segid “BrD” and resid 7 and name HB1))

((segid “BrD” and resid 7 and name HA))

2.800
2.000
2.000 peak
10232
weight
0.11000E+01 volume
0.15716E+03 ppm1
2.634
ppm2
5.143

ASSI {10242}

((segid “BrD” and resid 7 and name HB2))

((segid “BrD” and resid 7 and name HA))

2.900
2.100
2.100 peak
10242
weight
0.11000E+01 volume
0.13922E+03 ppm1
2.501
ppm2
5.143

ASSI {10252}

((segid “BrD” and resid 42 and name HA))

((segid “BrD” and resid 42 and name HB1))

2.400
1.400
1.400 peak
10252
weight
0.11000E+01 volume
0.37492E+03 ppm1
5.051
ppm2
2.784

ASSI {10292}

((segid “BrD” and resid 42 and name HB2))

((segid “BrD” and resid 42 and name HA))

2.300
1.300
1.300 peak
10292
weight
0.11000E+01 volume
0.49547E+03 ppm1
2.586
ppm2
5.046

ASSI {10312}

((segid “BrD” and resid 87 and name HA))

((segid “BrD” and resid 87 and name HB2))

2.400
1.400
1.400 peak
10312
weight
0.11000E+01 volume
0.37181E+03 ppm1
4.858
ppm2
2.881

ASSI {10322}

((segid “BrD” and resid 87 and name HA))

((segid “BrD” and resid 87 and name HB1))

2.500
1.600
1.600 peak
10322
weight
0.11000E+01 volume
0.30668E+03 ppm1
4.854
ppm2
2.780

ASSI {10332}

((segid “BrD” and resid 87 and name HB1))

((segid “BrD” and resid 84 and name HA))

2.600
1.700
1.700 peak
10332
weight
0.11000E+01 volume
0.28367E+03 ppm1
2.779
ppm2
4.873

ASSI {10342}

((segid “BrD” and resid 87 and name HB2))

((segid “BrD” and resid 84 and name HA))

2.100
1.100
1.100 peak
10342
weight
0.11000E+01 volume
0.80939E+03 ppm1
2.585
ppm2
4.873

ASSI {10352}

((segid “BrD” and resid 87 and name HB2))

((segid “BrD” and resid 87 and name HG1))

2.300
1.300
1.300 peak
10352
weight
0.11000E+01 volume
0.47273E+03 ppm1
2.585
ppm2
3.021

ASSI {10392}

((segid “BrD” and resid 87 and name HG2))

(segid “BrD” and resid 50 and name HD14))

3.500
3.200
2.000 peak
10392
weight
0.11000E+01 volume
0.42729E+02 ppm1
2.782
ppm2
1.145

ASSI {10402}

((segid “BrD” and resid 48 and name HA))

((segid “BrD” and resid 48 and name HB1))

2.400
1.400
1.400 peak
10402
weight
0.11000E+01 volume
0.46141E+03 ppm1
4.803
ppm2
2.729

ASSI {10422}

((segid “BrD” and resid 94 and name HA))

((segid “BrD” and resid 94 and name HB1))

2.300
1.300
1.300 peak
10422
weight
0.11000E+01 volume
0.56402E+03 ppm1
4.831
ppm2
2.731

ASSI {10452}

((segid “BrD” and resid 92 and name HB2))

((segid “BrD” and resid 92 and name HA))

2.300
1.300
1.300 peak
10452
weight
0.11000E+01 volume
0.48724E+03 ppm1
2.570
ppm2
4.798

ASSI {10462}

((segid “BrD” and resid 92 and name HB1))

((segid “BrD” and resid 92 and name HA))

2.000
1.000
1.000 peak
10462
weight
0.11000E+01 volume
0.12901E+04 ppm1
2.694
ppm2
4.798

ASSI {10482}

((segid “BrD” and resid 112 and name HB1))

((segid “BrD” and resid 109 and name HA))

2.400
1.400
1.400 peak
10482
weight
0.11000E+01 volume
0.44320E+03 ppm1
2.684
ppm2
4.638

ASSI {10492}

((segid “BrD” and resid 112 and name HB1))

((segid “BrD” and resid 112 and name HA))

2.400
1.400
1.400 peak
10492
weight
0.11000E+01 volume
0.38447E+03 ppm1
2.684
ppm2
4.587

ASSI {10532}

((segid “BrD” and resid 75 and name HA))

((segid “BrD” and resid 75 and name HB1))

2.500
1.600
1.600 peak
10532
weight
0.11000E+01 volume
0.36144E+03 ppm1
4.509
ppm2
2.931

ASSI {10542}

((segid “BrD” and resid 75 and name HA))

((segid “BrD” and resid 75 and name HB2))

2.400
1.400
1.400 peak
10542
weight
0.11000E+01 volume
0.39358E+03 ppm1
4.509
ppm2
2.847

ASSI {10552}

((segid “BrD” and resid 75 and name HG1))

(segid “BrD” and resid 75 and name HE %)

2.600
1.700
1.700 peak
10552
weight
0.11000E+01 volume
0.23961E+03 ppm1
3.523
ppm2
2.662

ASSI {10562}

((segid “BrD” and resid 75 and name HG2))

(segid “BrD” and resid 75 and name HE %)

2.600
1.700
1.700 peak
10562
weight
0.11000E+01 volume
0.23485E+03 ppm1
3.227
ppm2
2.662

ASSI {10632}

((segid “BrD” and resid 66 and name HA))

((segid “BrD” and resid 66 and name HG1))

2.600
1.700
1.700 peak
10632
weight
0.11000E+01 volume
0.25166E+03 ppm1
5.000
ppm2
2.181

ASSI {10642}

((segid “BrD” and resid 66 and name HG2))

((segid “BrD” and resid 66 and name HA))

2.500
1.600
1.600 peak
10642
weight
0.11000E+01 volume
0.30460E+03 ppm1
2.141
ppm2
4.998

ASSI {10652}

((segid “BrD” and resid 66 and name HA))

((segid “BrD” and resid 66 and name HB1))

2.300
1.300
1.300 peak
10652
weight
0.11000E+01 volume
0.48749E+03 ppm1
5.000
ppm2
2.702

ASSI {10662}

((segid “BrD” and resid 66 and name HA))

((segid “BrD” and resid 66 and name HB2))

2.100
1.100
1.100 peak
10662
weight
0.11000E+01 volume
0.87656E+03 ppm1
5.000
ppm2
2.608

ASSI {10672}

((segid “BrD” and resid 80 and name HB2))

((segid “BrD” and resid 77 and name HA))

2.600
1.700
1.700 peak
10672
weight
0.11000E+01 volume
0.24800E+03 ppm1
2.536
ppm2
4.951

ASSI {10682}

((segid “BrD” and resid 80 and name HB1))

((segid “BrD” and resid 77 and name HA))

2.600
1.700
1.700 peak
10682
weight
0.11000E+01 volume
0.24031E+03 ppm1
2.583
ppm2
4.951

ASSI {10692}

((segid “BrD” and resid 80 and name HB2))

((segid “BrD” and resid 80 and name HA))

3.000
2.200
2.200 peak
10692
weight
0.11000E+01 volume
0.11905E+03 ppm1
2.536
ppm2
4.671

ASSI {10702}

((segid “BrD” and resid 80 and name HB1))

((segid “BrD” and resid 80 and name HA))

2.900
2.100
2.100 peak
10702
weight
0.11000E+01 volume
0.13820E+03 ppm1
2.584
ppm2
4.672

ASSI {10752}

((segid “BrD” and resid 80 and name HA))

((segid “BrD” and resid 80 and name HG1))

2.300
1.300
1.300 peak
10752
weight
0.11000E+01 volume
0.52255E+03 ppm1
4.655
ppm2
2.339

ASSI {10762}

((segid “BrD” and resid 80 and name HA))

(segid “BrD” and resid 83 and name HG2 %)

3.200
2.600
2.300 peak
10762
weight
0.11000E+01 volume
0.74419E+02 ppm1
4.655
ppm2
1.901

ASSI {10792}

((segid “BrD” and resid 9 and name HA))

((segid “BrD” and resid 9 and name HB1))

2.500
1.600
1.600 peak
10792
weight
0.11000E+01 volume
0.30562E+03 ppm1
4.953
ppm2
2.434

ASSI {10802}

((segid “BrD” and resid 20 and name HA))

((segid “BrD” and resid 23 and name HB1))

2.800
2.000
2.000 peak
10802
weight
0.11000E+01 volume
0.14886E+03 ppm1
4.901
ppm2
2.931

ASSI {10812}

((segid “BrD” and resid 20 and name HA))

((segid “BrD” and resid 23 and name HB2))

2.900
2.100
2.100 peak
10812
weight
0.11000E+01 volume
0.14118E+03 ppm1
4.901
ppm2
2.857

ASSI {10822}

((segid “BrD” and resid 27 and name HB1))

((segid “BrD” and resid 24 and name HA))

2.500
1.600
1.600 peak
10822
weight
0.11000E+01 volume
0.34604E+03 ppm1
4.608
ppm2
4.768

ASSI {10932}

((segid “BrD” and resid 108 and name HA))

((segid “BrD” and resid 111 and name HB1))

2.900
2.100
2.100 peak
10932
weight
0.11000E+01 volume
0.13575E+03 ppm1
4.801
ppm2
2.475

ASSI {10942}

((segid “BrD” and resid 108 and name HA))

((segid “BrD” and resid 111 and name HB2))

3.000
2.200
2.200 peak
10942
weight
0.11000E+01 volume
0.11676E+03 ppm1
4.803
ppm2
2.351

ASSI {10952}

((segid “BrD” and resid 108 and name HA))

((segid “BrD” and resid 111 and name HD1))

3.200
2.600
2.300 peak
10952
weight
0.11000E+01 volume
0.76235E+02 ppm1
4.803
ppm2
2.237

ASSI {11002}

((segid “BrD” and resid 44 and name HG2))

((segid “BrD” and resid 44 and name HD1))

2.300
1.300
1.300 peak
11002
weight
0.11000E+01 volume
0.53477E+03 ppm1
2.645
ppm2
4.337

ASSI {11032}

((segid “BrD” and resid 44 and name HD1))

((segid “BrD” and resid 43 and name HA))

2.300
1.300
1.300 peak
11032
weight
0.11000E+01 volume
0.59437E+03 ppm1
4.312
ppm2
5.541

ASSI {11092}

((segid “BrD” and resid 11 and name HA))

((segid “BrD” and resid 14 and name HB1))

3.000
2.200
2.200 peak
11092
weight
0.11000E+01 volume
0.11894E+03 ppm1
4.951
ppm2
2.471

ASSI {11112}

((segid “BrD” and resid 11 and name HD1))

((segid “BrD” and resid 10 and name HB2))

2.800
2.000
2.000 peak
11112
weight
0.11000E+01 volume
0.15710E+03 ppm1
4.457
ppm2
3.300

ASSI {11122}

((segid “BrD” and resid 11 and name HD1))

((segid “BrD” and resid 10 and name HB1))

3.000
2.200
2.200 peak
11122
weight
0.11000E+01 volume
0.11776E+03 ppm1
4.457
ppm2
3.355

ASSI {11152}

((segid “BrD” and resid 37 and name HD1))

((segid “BrD” and resid 36 and name HA))

3.400
2.900
2.100 peak
11152
weight
0.11000E+01 volume
0.48585E+02 ppm1
4.262
ppm2
5.446

ASSI {11182}

((segid “BrD” and resid 53 and name HD2))

(segid “BrD” and resid 50 and name HG2 %)

3.400
2.900
2.100 peak
11182
weight
0.11000E+01 volume
0.47917E+02 ppm1
4.015
ppm2
0.993

ASSI {11212}

((segid “BrD” and resid 53 and name HG1))

((segid “BrD” and resid 53 and name HD1))

2.800
2.000
2.000 peak
11212
weight
0.11000E+01 volume
0.15118E+03 ppm1
2.784
ppm2
4.209

ASSI {11222}

((segid “BrD” and resid 53 and name HG2))

((segid “BrD” and resid 53 and name HD1))

2.800
2.000
2.000 peak
11222
weight
0.11000E+01 volume
0.15165E+03 ppm1
2.490
ppm2
4.210

ASSI {11232}

((segid “BrD” and resid 53 and name HG2))

((segid “BrD” and resid 53 and name HD2))

2.900
2.100
2.100 peak
11232
weight
0.11000E+01 volume
0.12572E+03 ppm1
2.484
ppm2
4.011

ASSI {11242}

((segid “BrD” and resid 53 and name HG1))

((segid “BrD” and resid 53 and name HD2))

3.100
2.400
2.400 peak
11242
weight
0.11000E+01 volume
0.94017E+02 ppm1
2.784
ppm2
4.011

ASSI {11252}

((segid “BrD” and resid 53 and name HG1))

(segid “BrD” and resid 50 and name HG2 %)

4.300
4.300
1.200 peak
11252
weight
0.11000E+01 volume
0.13261E+02 ppm1
2.784
ppm2
0.993

ASSI {11272}

((segid “BrD” and resid 19 and name HB1))

(segid “BrD” and resid 63 and name HD2 %)

3.000
2.200
2.200 peak
11272
weight
0.11000E+01 volume
0.10292E+03 ppm1
2.290
ppm2
1.492

ASSI {11292}

((segid “BrD” and resid 19 and name HB1))

(segid “BrD” and resid 63 and name HD1 %)

3.300
2.700
2.200 peak
11292
weight
0.11000E+01 volume
0.56479E+02 ppm1
2.290
ppm2
1.655

ASSI {11302}

((segid “BrD” and resid 19 and name HB2))

(segid “BrD” and resid 63 and name HD1 %)

3.400
2.900
2.100 peak
11302
weight
0.11000E+01 volume
0.52899E+02 ppm1
1.988
ppm2
1.656

ASSI {11392}

((segid “BrD” and resid 97 and name HA))

((segid “BrD” and resid 97 and name HG1))

2.400
1.400
1.400 peak
11392
weight
0.11000E+01 volume
0.40873E+03 ppm1
4.805
ppm2
2.438

ASSI {11422}

((segid “BrD” and resid 97 and name HB1))

((segid “BrD” and resid 94 and name HA))

2.200
1.200
1.200 peak
11422
weight
0.11000E+01 volume
0.64841E+03 ppm1
2.685
ppm2
4.830

ASSI {11442}

((segid “BrD” and resid 97 and name HD1))

((segid “BrD” and resid 97 and name HA))

3.600
3.200
1.900 peak
11442
weight
0.11000E+01 volume
0.36224E+02 ppm1
2.420
ppm2
4.800

ASSI {11472}

((segid “BrD” and resid 86 and name HB1))

((segid “BrD” and resid 86 and name HA))

2.400
1.400
1.400 peak
11472
weight
0.11000E+01 volume
0.38167E+03 ppm1
2.340
ppm2
4.807

ASSI {11482}

((segid “BrD” and resid 86 and name HB1))

((segid “BrD” and resid 86 and name HG2))

2.900
2.100
2.100 peak
11482
weight
0.11000E+01 volume
0.12261E+03 ppm1
2.340
ppm2
0.766

ASSI {11612}

((segid “BrD” and resid 64 and name HB1))

((segid “BrD” and resid 61 and name HA))

2.300
1.300
1.300 peak
11612
weight
0.11000E+01 volume
0.48201E+03 ppm1
2.636
ppm2
4.667

ASSI {11622}

((segid “BrD” and resid 64 and name HG1))

((segid “BrD” and resid 61 and name HA))

2.600
1.700
1.700 peak
11622
weight
0.11000E+01 volume
0.27263E+03 ppm1
2.190
ppm2
4.667

ASSI {11692}

((segid “BrD” and resid $$ and name HA))

((segid “BrD” and resid $$ and name HB2))

2.400
1.400
1.400 peak
11692
weight
0.11000E+01 volume
0.40526E+03 ppm1
4.972
ppm2
2.291

ASSI {11702}

((segid “BrD” and resid 72 and name HD1))

((segid “BrD” and resid 72 and name HA))

2.600
1.700
1.700 peak
11702
weight
0.11000E+01 volume
0.26243E+03 ppm1
2.291
ppm2
4.646

ASSI {11712}

((segid “BrD” and resid 62 and name HD1))

((segid “BrD” and resid 62 and name HG1))

2.700
1.800
1.800 peak
11732
weight
0.11000E+01 volume
0.19040E+03 ppm1
3.177
ppm2
2.323

ASSI {11732}

((segid “BrD” and resid 62 and name HD2))

((segid “BrD” and resid 62 and name HG2))

3.200
2.600
2.300 peak
11732
weight
0.11000E+01 volume
0.69523E+02 ppm1
2.629
ppm2
1.480

ASSI {11742}

((segid “BrD” and resid 62 and name HD1))

((segid “BrD” and resid 59 and name HA))

3.100
2.400
2.400 peak
11742
weight
0.11000E+01 volume
0.81736E+02 ppm1
3.177
ppm2
4.911

ASSI {11782}

((segid “BrD” and resid 91 and name HG1))

((segid “BrD” and resid 91 and name HD2))

3.000
2.200
2.200 peak
11782
weight
0.11000E+01 volume
0.11953E+03 ppm1
2.779
ppm2
4.406

ASSI {11802}

((segid “BrD” and resid 91 and name HA))

((segid “BrD” and resid 91 and name HB1))

2.700
1.800
1.800 peak
11802
weight
0.11000E+01 volume
0.18443E+03 ppm1
5.347
ppm2
2.978

ASSI {11812}

((segid “BrD” and resid 91 and name HA))

((segid “BrD” and resid 91 and name HG1))

3.700
3.400
1.800 peak
11812
weight
0.11000E+01 volume
0.32384E+02 ppm1
5.347
ppm2
2.788

ASSI {11852}

((segid “BrD” and resid 91 and name HD1))

((segid “BrD” and resid 89 and name HA))

2.700
1.800
1.800 peak
11852
weight
0.11000E+01 volume
0.19122E+03 ppm1
4.559
ppm2
5.642

ASSI {11882}

((segid “BrD” and resid 91 and name HD2))

((segid “BrD” and resid 89 and name HB1))

2.800
2.000
2.000 peak
11882
weight
0.11000E+01 volume
0.16587E+03 ppm1
4.410
ppm2
3.668

ASSI {11912}

((segid “BrD” and resid 91 and name HB2))

((segid “BrD” and resid 91 and name HD1))

3.700
3.400
1.800 peak
11912
weight
0.11000E+01 volume
0.31825E+02 ppm1
2.730
ppm2
4.559

ASSI {11922}

((segid “BrD” and resid 91 and name HB1))

((segid “BrD” and resid 91 and name HD1))

3.400
2.900
2.100 peak
11922
weight
0.11000E+01 volume
0.50256E+02 ppm1
2.978
ppm2
4.559

ASSI {11942}

((segid “BrD” and resid 91 and name HB2))

((segid “BrD” and resid 91 and name HA))

2.600
2.000
2.000 peak
11942
weight
0.11000E+01 volume
0.17033E+03 ppm1
2.725
ppm2
5.378

ASSI {11952}

((segid “BrD” and resid 33 and name HA))

((segid “BrD” and resid 33 and name HG2))

3.000
2.200
2.200 peak
11952
weight
0.11000E+01 volume
0.10731E+03 ppm1
4.361
ppm2
−0.319

ASSI {11962}

((segid “BrD” and resid 33 and name HA))

((segid “BrD” and resid 33 and name HB2))

2.700
1.800
1.800 peak
11962
weight
0.11000E+01 volume
0.20069E+03 ppm1
4.361
ppm2
−0.166

ASSI {11972}

((segid “BrD” and resid 33 and name HA))

((segid “BrD” and resid 33 and name HB1))

2.700
1.800
1.800 peak
11972
weight
0.11000E+01 volume
0.18669E+03 ppm1
4.360
ppm2
1.083

ASSI {12032}

((segid “BrD” and resid 33 and name HG1))

((segid “BrD” and resid 33 and name HB2))

2.900
2.100
2.100 peak
12032
weight
0.11000E+01 volume
0.13883E+03 ppm1
0.858
ppm2
−0.165

ASSI {12042}

((segid “BrD” and resid 33 and name HG2))

((segid “BrD” and resid 33 and name HB2))

2.900
2.100
2.100 peak
12042
weight
0.11000E+01 volume
0.12386E+03 ppm1
−0.124
ppm2
−0.169

ASSI {12062}

((segid “BrD” and resid 33 and name HD1))

((segid “BrD” and resid 33 and name HG1))

3.000
2.200
2.200 peak
12062
weight
0.11000E+01 volume
0.11534E+03 ppm1
2.780
ppm2
0.864

ASSI {12072}

((segid “BrD” and resid 33 and name HD2))

((segid “BrD” and resid 33 and name HG1))

3.100
2.400
2.400 peak
12072
weight
0.11000E+01 volume
0.97683E+02 ppm1
2.189
ppm2
0.864

ASSI {12082}

((segid “BrD” and resid 33 and name HD1))

((segid “BrD” and resid 33 and name HG2))

2.900
2.100
2.100 peak
12082
weight
0.11000E+01 volume
0.13243E+03 ppm1
2.780
ppm2
−0.319

ASSI {12092}

((segid “BrD” and resid 33 and name HD2))

((segid “BrD” and resid 33 and name HG2))

2.900
2.100
2.100 peak
12092
weight
0.11000E+01 volume
0.13995E+03 ppm1
2.189
ppm2
−0.319

ASSI {12102}

((segid “BrD” and resid 33 and name HB1))

((segid “BrD” and resid 33 and name HG2))

2.900
2.100
2.100 peak
12102
weight
0.11000E+01 volume
0.14146E+03 ppm1
1.051
ppm2
−0.326

ASSI {12132}

((segid “BrD” and resid 33 and name HB1))

((segid “BrD” and resid 33 and name HG1))

3.100
2.400
2.400 peak
12132
weight
0.11000E+01 volume
0.94205E+02 ppm1
1.055
ppm2
0.859

ASSI {12182}

((segid “BrD” and resid 35 and name HA))

((segid “BrD” and resid 36 and name HB1))

4.100
4.100
1.400 peak
12182
weight
0.11000E+01 volume
0.16299E+02 ppm1
4.904
ppm2
2.685

ASSI {12222}

((segid “BrD” and resid 59 and name HG2))

(segid “BrD” and resid 59 and name HB1)

2.300
1.300
1.300 peak
12222
weight
0.11000E+01 volume
0.52760E+03 ppm1
3.137
ppm2
1.875

ASSI {12242}

((segid “BrD” and resid 59 and name HB2))

(segid “BrD” and resid 59 and name HE %)

2.700
1.800
1.800 peak
12242
weight
0.11000E+01 volume
0.19334E+03 ppm1
2.487
ppm2
1.876

ASSI {12252}

((segid “BrD” and resid 59 and name HA))

((segid “BrD” and resid 59 and name HB2))

3.300
2.700
2.200 peak
12252
weight
0.11000E+01 volume
0.59031E+02 ppm1
4.903
ppm2
2.487

ASSI {12262}

((segid “BrD” and resid 59 and name HA))

((segid “BrD” and resid 62 and name HB1))

3.100
2.400
2.400 peak
12262
weight
0.11000E+01 volume
0.90574E+02 ppm1
4.903
ppm2
2.657

ASSI {12272}

((segid “BrD” and resid 59 and name HA))

((segid “BrD” and resid 62 and name HB2))

2.900
2.100
2.100 peak
12272
weight
0.11000E+01 volume
0.13057E+03 ppm1
4.903
ppm2
1.670

ASSI {12312}

((segid “BrD” and resid 61 and name HB1))

((segid “BrD” and resid 61 and name HA))

2.500
1.600
1.600 peak
12312
weight
0.11000E+01 volume
0.30078E+03 ppm1
2.826
ppm2
4.673

ASSI {12322}

((segid “BrD” and resid 61 and name HB1))

((segid “BrD” and resid 58 and name HA))

3.000
2.200
2.200 peak
12322
weight
0.11000E+01 volume
0.10826E+03 ppm1
2.826
ppm2
4.451

ASSI {12332}

((segid “BrD” and resid 61 and name HB2))

((segid “BrD” and resid 58 and name HA))

2.400
1.400
1.400 peak
12332
weight
0.11000E+01 volume
0.42931E+03 ppm1
2.679
ppm2
4.453

ASSI {12342}

((segid “BrD” and resid 61 and name HB2))

((segid “BrD” and resid 61 and name HA))

2.100
1.100
1.100 peak
12342
weight
0.11000E+01 volume
0.81117E+03 ppm1
2.679
ppm2
4.473

ASSI {12392}

(segid “BrD” and resid 102 and name HD2 %)

((segid “BrD” and resid 102 and name HG))

2.000
1.000
1.000 peak
12392
weight
0.11000E+01 volume
0.13862E+04 ppm1
1.304
ppm2
2.159

ASSI {12402}

(segid “BrD” and resid 102 and name HD2 %)

((segid “BrD” and resid 102 and name HB1))

2.400
1.400
1.400 peak
12402
weight
0.11000E+01 volume
0.42022E+03 ppm1
1.304
ppm2
2.020

ASSI {12422}

(segid “BrD” and resid 102 and name HD2 %)

(segid “BrD” and resid 31 and name $$)

3.500
3.100
2.000 peak
12422
weight
0.11000E+01 volume
0.40319E+02 ppm1
1.305
ppm2
2.315

ASSI {12432}

(segid “BrD” and resid 14 and name HD1 %)

((segid “BrD” and resid 14 and name HG))

2.400
1.400
1.400 peak
12432
weight
0.11000E+01 volume
0.38368E+03 ppm1
1.402
ppm2
2.062

ASSI {12442}

(segid “BrD” and resid 14 and name HD1 %)

((segid “BrD” and resid 14 and name HB2))

2.300
1.300
1.300 peak
12442
weight
0.11000E+01 volume
0.51224E+03 ppm1
1.402
ppm2
2.155

ASSI {12452}

(segid “BrD” and resid 14 and name HD1 %)

((segid “BrD” and resid 14 and name HB1))

2.300
1.300
1.300 peak
12452
weight
0.11000E+01 volume
0.51311E+03 ppm1
1.402
ppm2
2.468

ASSI {12462}

(segid “BrD” and resid 14 and name HD1 %)

((segid “BrD” and resid 14 and name HA))

2.600
1.700
1.700 peak
12642
weight
0.11000E+01 volume
0.23971E+03 ppm1
1.401
ppm2
4.655

ASSI {12472}

(segid “BrD” and resid 14 and name HD1 %)

(segid “BrD” and resid 18 and name HD1 %)

2.500
1.600
1.600 peak
12472
weight
0.11000E+01 volume
0.29352E+03 ppm1
1.402
ppm2
1.084

ASSI {12602}

(segid “BrD” and resid 59 and name HE %)

((segid “BrD” and resid 59 and name HB1))

2.700
1.800
1.800 peak
12602
weight
0.11000E+01 volume
0.21211E+03 ppm1
1.847
ppm2
2.707

ASSI {12622}

(segid “BrD” and resid 59 and name HE %)

((segid “BrD” and resid 59 and name HG1))

3.100
2.400
2.400 peak
12622
weight
0.11000E+01 volume
0.88634E+02 ppm1
1.848
ppm2
3.230

ASSI {12662}

(segid “BrD” and resid 54 and name HE %)

((segid “BrD” and resid 54 and name HB2))

2.700
1.800
1.800 peak
12662
weight
0.11000E+01 volume
0.21213E+03 ppm1
2.535
ppm2
1.964

ASSI {12682}

(segid “BrD” and resid 54 and name HE %)

((segid “BrD” and resid 54 and name HG1))

2.500
1.600
1.600 peak
12682
weight
0.11000E+01 volume
0.35414E+03 ppm1
2.535
ppm2
3.307

ASSI {12772}

(segid “BrD” and resid 50 and name HG2 %)

((segid “BrD” and resid 84 and name HB1))

2.900
2.100
2.100 peak
12772
weight
0.11000E+01 volume
0.14057E+03 ppm1
1.004
ppm2
3.605

ASSI {12802}

((segid “BrD” and resid 74 and name HB2))

((segid “BrD” and resid 75 and name HA))

3.300
2.700
2.200 peak
12802
weight
0.11000E+01 volume
0.66311E+02 ppm1
1.054
ppm2
4.517

ASSI {12902}

(segid “BrD” and resid 38 and name HG1 %)

(segid “BrD” and resid 43 and name HB %)

2.800
2.000
2.000 peak
12902
weight
0.11000E+01 volume
0.17186E+03 ppm1
1.059
ppm2
1.715

ASSI {12912}

((segid “BrD” and resid 25 and name HA))

((segid “BrD” and resid 28 and name HB2))

3.400
2.900
2.100 peak
12912
weight
0.11000E+01 volume
0.50976E+02 ppm1
4.412
ppm2
3.406

ASSI {12922}

((segid “BrD” and resid 25 and name HA))

((segid “BrD” and resid 28 and name HB1))

3.400
2.900
2.100 peak
12922
weight
0.11000E+01 volume
0.50633E+02 ppm1
4.412
ppm2
3.607

ASSI {12932}

((segid “BrD” and resid 25 and name HB))

((segid “BrD” and resid 25 and name HA))

2.600
1.700
1.700 peak
12932
weight
0.11000E+01 volume
0.25503E+03 ppm1
2.979
ppm2
4.436

ASSI {12942}

((segid “BrD” and resid 99 and name HA))

(segid “BrD” and resid 102 and name HD1 %)

3.500
3.100
2.000 peak
12942
weight
0.11000E+01 volume
0.42963E+02 ppm1
4.458
ppm2
1.321

ASSI {12952}

(segid “BrD” and resid 17 and name HG2 %)

(segid “BrD” and resid 18 and name HD1 %)

3.100
2.400
2.400 peak
12952
weight
0.11000E+01 volume
0.90746E+02 ppm1
1.745
ppm2
1.083

ASSI {12982}

((segid “BrD” and resid 98 and name HB1))

((segid “BrD” and resid 95 and name HA))

3.200
2.600
2.300 peak
12982
weight
0.11000E+01 volume
0.76248E+02 ppm1
4.013
ppm2
4.445

ASSI {13062}

(segid “BrD” and resid 56 and name HD1 %)

((segid “BrD” and resid 34 and name HB2))

2.900
2.100
2.100 peak
13062
weight
0.11000E+01 volume
0.13096E+03 ppm1
1.546
ppm2
3.143

ASSI {13152}

((segid “BrD” and resid 81 and name HA))

((segid “BrD” and resid 84 and name HB2))

3.300
2.700
2.200 peak
13152
weight
0.11000E+01 volume
0.59764E+02 ppm1
3.718
ppm2
3.278

ASSI {13162}

((segid “BrD” and resid 85 and name HA))

((segid “BrD” and resid 88 and name HB1))

3.400
2.900
2.100 peak
13162
weight
0.11000E+01 volume
0.52965E+02 ppm1
5.003
ppm2
3.532

ASSI {13172}

((segid “BrD” and resid 86 and name HB1))

((segid “BrD” and resid 83 and name HA))

3.700
3.400
1.800 peak
13172
weight
0.11000E+01 volume
0.32755E+02 ppm1
2.340
ppm2
4.462

ASSI {13182}

(segid “BrD” and resid 54 and name HE %)

((segid “BrD” and resid 54 and name HA))

2.300
1.300
1.300 peak
13182
weight
0.11000E+01 volume
0.48303E+03 ppm1
2.535
ppm2
5.543

ASSI {13212}

((segid “BrD” and resid 47 and name HA))

((segid “BrD” and resid 50 and name HB))

3.600
3.200
1.900 peak
13212
weight
0.11000E+01 volume
0.37838E+02 ppm1
4.704
ppm2
1.823

ASSI {13222}

(segid “BrD” and resid 81 and name HG2 %)

((segid “BrD” and resid 34 and name HB2))

2.800
2.000
2.000 peak
13222
weight
0.11000E+01 volume
0.16892E+03 ppm1
0.756
ppm2
1.149

ASSI {13252}

((segid “BrD” and resid 34 and name HB2))

((segid “BrD” and resid 56 and name HG))

3.100
2.400
2.400 peak
13252
weight
0.11000E+01 volume
0.87944E+02 ppm1
3.127
ppm2
2.323

ASSI {13262}

((segid “BrD” and resid 34 and name HB1))

((segid “BrD” and resid 56 and name HG))

3.200
2.600
2.300 peak
13262
weight
0.11000E+01 volume
0.75137E+02 ppm1
4.108
ppm2
2.322

ASSI {13362}

(segid “BrD” and resid 14 and name HD1 %)

((segid “BrD” and resid 18 and name HB1))

2.300
1.300
1.300 peak
13362
weight
0.11000E+01 volume
0.50793E+03 ppm1
1.058
ppm2
2.128

ASSI {13372}

((segid “BrD” and resid 14 and name HB1))

(segid “BrD” and resid 18 and name HD1 %)

4.000
4.000
1.500 peak
13372
weight
0.11000E+01 volume
0.18693E+02 ppm1
2.441
ppm2
1.084

ASSI {13382}

(segid “BrD” and resid 25 and name HG1 %)

((segid “BrD” and resid 22 and name HA))

2.600
1.700
1.700 peak
13382
weight
0.11000E+01 volume
0.28894E+03 ppm1
1.795
ppm2
4.720

ASSI {13402}

((segid “BrD” and resid 102 and name HB2))

((segid “BrD” and resid 99 and name HA))

2.600
1.700
1.700 peak
13402
weight
0.11000E+01 volume
0.26245E+03 ppm1
1.842
ppm2
4.441

ASSI {13422}

((segid “BrD” and resid 21 and name HB))

(segid “BrD” and resid 18 and name HD2 %)

3.700
3.400
1.800 peak
13422
weight
0.11000E+01 volume
0.29780E+02 ppm1
2.487
ppm2
0.409

ASSI {13432}

((segid “BrD” and resid 57 and name HA))

((segid “BrD” and resid 60 and name HB2))

2.700
1.800
1.800 peak
13432
weight
0.11000E+01 volume
0.19090E+03 ppm1
4.805
ppm2
4.625

ASSI {13442}

((segid “BrD” and resid 57 and name HA))

((segid “BrD” and resid 60 and name HB1))

2.900
2.100
2.100 peak
13442
weight
0.11000E+01 volume
0.14250E+03 ppm1
4.805
ppm2
5.000

ASSI {13482}

(segid “BrD” and resid 58 and name HG2 %)

((segid “BrD” and resid 62 and name HD2))

2.800
2.000
2.000 peak
13482
weight
0.11000E+01 volume
0.17578E+03 ppm1
1.651
ppm2
2.644

ASSI {13492}

((segid “BrD” and resid 61 and name HB1))

(segid “BrD” and resid 58 and name HG2 %)

3.600
3.200
1.900 peak
13492
weight
0.11000E+01 volume
0.34592E+02 ppm1
2.826
ppm2
1.662

ASSI {13512}

(segid “BrD” and resid 59 and name HE %)

((segid “BrD” and resid 59 and name HA))

3.100
2.400
2.400 peak
13512
weight
0.11000E+01 volume
0.83827E+02 ppm1
1.848
ppm2
4.913

ASSI {13522}

(segid “BrD” and resid 59 and name HE %)

(segid “BrD” and resid 56 and name HD2 %)

3.400
2.900
2.100 peak
13522
weight
0.11000E+01 volume
0.55813E+02 ppm1
1.848
ppm2
1.271

ASSI {13542}

((segid “BrD” and resid 21 and name HA))

((segid “BrD” and resid 24 and name HB2))

3.200
2.600
2.300 peak
13542
weight
0.11000E+01 volume
0.69544E+02 ppm1
4.360
ppm2
2.989

ASSI {13552}

((segid “BrD” and resid 74 and name HB2))

((segid “BrD” and resid 71 and name HA))

3.300
2.700
2.200 peak
13552
weight
0.11000E+01 volume
0.56669E+02 ppm1
2.974
ppm2
4.624

ASSI {13652}

(segid “BrD” and resid 58 and name HG2 %)

((segid “BrD” and resid 62 and name HD1))

2.800
2.000
2.000 peak
13652
weight
0.11000E+01 volume
0.18084E+03 ppm1
1.649
ppm2
3.182

ASSI {13662}

((segid “BrD” and resid 32 and name HA))

(segid “BrD” and resid 31 and name $$)

3.700
3.400
1.800 peak
13662
weight
0.11000E+01 volume
0.29321E+02 ppm1
4.952
ppm2
2.312

ASSI {13702}

((segid “BrD” and resid 42 and name HB1))

(segid “BrD” and resid 43 and name HB %)

3.800
3.600
1.700 peak
13702
weight
0.11000E+01 volume
0.26752E+02 ppm1
2.785
ppm2
1.712

ASSI {13722}

((segid “BrD” and resid 59 and name HA))

((segid “BrD” and resid 62 and name HD2))

2.600
1.700
1.700 peak
13722
weight
0.11000E+01 volume
0.25810E+03 ppm1
4.903
ppm2
2.634

ASSI {13742}

((segid “BrD” and resid 63 and name HG))

((segid “BrD” and resid 63 and name HB1))

2.300
1.300
1.300 peak
13742
weight
0.11000E+01 volume
0.59564E+03 ppm1
2.437
ppm2
2.905

ASSI {13902}

((segid “BrD” and resid 70 and name HB1))

(segid “BrD” and resid 69 and name HG1 %)

3.700
3.400
1.800 peak
13902
weight
0.11000E+01 volume
0.30896E+02 ppm1
4.756
ppm2
1.544

ASSI {13912}

(segid “BrD” and resid 101 and name HG2 %)

((segid “BrD” and resid 98 and name HA))

2.800
2.000
2.000 peak
13912
weight
0.11000E+01 volume
0.17496E+03 ppm1
1.596
ppm2
4.810

ASSI {13932}

((segid “BrD” and resid 101 and name HG12))

((segid “BrD” and resid 98 and name HA))

3.400
2.900
2.100 peak
13932
weight
0.11000E+01 volume
0.55145E+02 ppm1
1.797
ppm2
4.808

ASSI {13942}

((segid “BrD” and resid 98 and name HA))

((segid “BrD” and resid 101 and name HG11))

3.300
2.700
2.200 peak
13942
weight
0.11000E+01 volume
0.65568E+02 ppm1
4.804
ppm2
2.469

ASSI {14002}

((segid “BrD” and resid 53 and name HB1))

((segid “BrD” and resid 53 and name HD1))

2.400
2.000
2.000 peak
14002
weight
0.11000E+01 volume
0.16043E+03 ppm1
2.781
ppm2
4.208

ASSI {14012}

((segid “BrD” and resid 53 and name HB1))

((segid “BrD” and resid 53 and name HD2))

3.000
2.200
2.200 peak
14012
weight
0.11000E+01 volume
0.10929E+03 ppm1
2.781
ppm2
4.010

ASSI {14072}

((segid “BrD” and resid 79 and name HA))

((segid “BrD” and resid 82 and name HB2))

3.000
2.200
2.200 peak
14072
weight
0.11000E+01 volume
0.11123E+03 ppm1
4.409
ppm2
3.606

ASSI {14082}

((segid “BrD” and resid 79 and name HA))

((segid “BrD” and resid 82 and name HB1))

3.300
2.700
2.200 peak
14082
weight
0.11000E+01 volume
0.67314E+02 ppm1
4.409
ppm2
3.697

ASSI {14092}

((segid “BrD” and resid 79 and name HB2))

((segid “BrD” and resid 76 and name HA))

2.400
1.400
1.400 peak
14092
weight
0.11000E+01 volume
0.38186E+03 ppm1
2.680
ppm2
4.683

ASSI {14182}

((segid “BrD” and resid 94 and name HA))

((segid “BrD” and resid 97 and name HD1))

3.200
2.600
2.300 peak
14182
weight
0.11000E+01 volume
0.68636E+02 ppm1
4.830
ppm2
2.434

ASSI {14252}

((segid “BrD” and resid 113 and name HA))

(segid “BrD” and resid 17 and name HG2 %)

3.600
3.200
1.900 peak
14252
weight
0.11000E+01 volume
0.37471E+02 ppm1
4.901
ppm2
1.750

ASSI {14552}

((segid “BrD” and resid 11 and name HB2))

((segid “BrD” and resid 11 and name HD1))

2.700
1.800
1.800 peak
14552
weight
0.11000E+01 volume
0.21551E+03 ppm1
2.580
ppm2
4.460

ASSI {14572}

((segid “BrD” and resid 14 and name HB2))

((segid “BrD” and resid 11 and name HA))

3.300
2.700
2.200 peak
14572
weight
0.11000E+01 volume
0.58722E+02 ppm1
2.145
ppm2
4.942

ASSI {14592}

(segid “BrD” and resid 102 and name HD2 %)

((segid “BrD” and resid 31 and name HA))

3.400
2.900
2.100 peak
14592
weight
0.11000E+01 volume
0.51768E+02 ppm1
1.303
ppm2
4.984

ASSI {14612}

(segid “BrD” and resid 102 and name HD2 %)

(segid “BrD” and resid 25 and name HG2 %)

2.300
1.300
1.300 peak
14612
weight
0.11000E+01 volume
0.50747E+03 ppm1
1.305
ppm2
1.633

ASSI {14622}

(segid “BrD” and resid 102 and name HD2 %)

((segid “BrD” and resid 25 and name HA))

2.700
1.800
1.800 peak
14622
weight
0.11000E+01 volume
0.22785E+03 ppm1
1.303
ppm2
4.425

ASSI {14662}

((segid “BrD” and resid 18 and name HB2))

((segid “BrD” and resid 18 and name HG))

3.100
2.400
2.400 peak
14662
weight
0.11000E+01 volume
0.98423E+02 ppm1
0.911
ppm2
2.274

ASSI {14772}

((segid “BrD” and resid 36 and name HA))

((segid “BrD” and resid 37 and name HG2))

5.500
5.500
0.000 peak
14772
weight
0.11000E+01 volume
0.48374E+00 ppm1
5.447
ppm2
2.587

ASSI {14812}

((segid “BrD” and resid 42 and name HB2))

(segid “BrD” and resid 43 and name HB %)

3.200
2.600
2.300 peak
14812
weight
0.11000E+01 volume
0.74053E+02 ppm1
2.586
ppm2
1.710

ASSI {14822}

((segid “BrD” and resid 35 and name HA))

((segid “BrD” and resid 36 and name HB2))

3.800
3.600
1.700 peak
14822
weight
0.11000E+01 volume
0.27804E+02 ppm1
4.904
ppm2
2.340

ASSI {14942}

((segid “BrD” and resid 46 and name HA))

(segid “BrD” and resid 88 and name HE %)

2.700
1.800
1.800 peak
14942
weight
0.11000E+01 volume
0.19889E+03 ppm1
4.163
ppm2
7.421

ASSI {14962}

((segid “BrD” and resid 46 and name HA))

(segid “BrD” and resid 46 and name HE %)

3.600
3.200
1.900 peak
14962
weight
0.11000E+01 volume
0.36218E+02 ppm1
4.164
ppm2
6.689

ASSI {14992}

((segid “BrD” and resid 46 and name HB2))

(segid “BrD” and resid 46 and name HE %)

3.700
3.400
1.800 peak
14992
weight
0.11000E+01 volume
0.28675E+02 ppm1
3.078
ppm2
6.689

ASSI {15062}

((segid “BrD” and resid 28 and name HB2))

((segid “BrD” and resid 28 and name HD2))

3.100
2.400
2.400 peak
15062
weight
0.11000E+01 volume
0.98530E+02 ppm1
3.372
ppm2
5.575

ASSI {15072}

((segid “BrD” and resid 28 and name HB1))

((segid “BrD” and resid 28 and name HD2))

3.200
2.600
2.300 peak
15072
weight
0.11000E+01 volume
0.74212E+02 ppm1
3.570
ppm2
5.575

ASSI {15122}

((segid “BrD” and resid 67 and name HB1))

(segid “BrD” and resid 67 and name HE %)

4.100
4.100
1.400 peak
15122
weight
0.11000E+01 volume
0.17734E+02 ppm1
2.639
ppm2
7.315

ASSI {15292}

((segid “BrD” and resid 47 and name HA))

(segid “BrD” and resid 46 and name HD %)

4.100
4.100
1.400 peak
15292
weight
0.11000E+01 volume
0.16402E+02 ppm1
4.705
ppm2
5.762

ASSI {15322}

((segid “BrD” and resid 47 and name HB2))

(segid “BrD” and resid 47 and name HE %)

3.400
2.900
2.100 peak
15322
weight
0.11000E+01 volume
0.56146E+02 ppm1
3.375
ppm2
7.371

ASSI {15332}

((segid “BrD” and resid 47 and name HB1))

(segid “BrD” and resid 47 and name HE %)

3.200
2.600
2.300 peak
15332
weight
0.11000E+01 volume
0.74345E+02 ppm1
3.816
ppm2
7.371

ASSI {15352}

((segid “BrD” and resid 32 and name HB2))

((segid “BrD” and resid 32 and name HE3))

2.600
1.700
1.700 peak
15352
weight
0.11000E+01 volume
0.27498E+03 ppm1
3.962
ppm2
7.952

ASSI {15432}

((segid “BrD” and resid 74 and name HB1))

(segid “BrD” and resid 74 and name HD %)

2.900
2.100
2.100 peak
15432
weight
0.11000E+01 volume
0.14689E+03 ppm1
3.576
ppm2
6.998

ASSI {15482}

((segid “BrD” and resid 74 and name HB2))

(segid “BrD” and resid 74 and name HE %)

3.600
3.200
1.900 peak
15482
weight
0.11000E+01 volume
0.37941E+02 ppm1
2.985
ppm2
7.533

ASSI {15492}

((segid “BrD” and resid 74 and name HB1))

(segid “BrD” and resid 74 and name HE %)

2.800
2.000
2.000 peak
15492
weight
0.11000E+01 volume
0.16094E+03 ppm1
3.571
ppm2
7.535

ASSI {15602}

((segid “BrD” and resid 82 and name HB2))

(segid “BrD” and resid 82 and name HE %)

3.000
2.200
2.200 peak
15602
weight
0.11000E+01 volume
0.11655E+03 ppm1
3.573
ppm2
7.069

ASSI {15612}

((segid “BrD” and resid 82 and name HB1))

(segid “BrD” and resid 82 and name HE %)

2.800
2.000
2.000 peak
15612
weight
0.11000E+01 volume
0.15106E+03 ppm1
3.672
ppm2
7.069

ASSI {15732}

((segid “BrD” and resid 82 and name HA))

(segid “BrD” and resid 82 and name HE %)

3.200
2.600
2.300 peak
15732
weight
0.11000E+01 volume
0.68425E+02 ppm1
4.755
ppm2
7.063

ASSI {15742}

((segid “BrD” and resid 82 and name HA))

(segid “BrD” and resid 82 and name HD %)

2.100
1.100
1.100 peak
15742
weight
0.11000E+01 volume
0.82972E+03 ppm1
4.755
ppm2
7.259

ASSI {15792}

((segid “BrD” and resid 15 and name HA))

(segid “BrD” and resid 18 and name HD2 %)

4.600
4.600
0.900 peak
15792
weight
0.11000E+01 volume
0.83712E+01 ppm1
4.607
ppm2
0.408

ASSI {16522}

((segid “BrD” and resid 107 and name HA))

(segid “BrD” and resid 107 and name HE %)

2.700
1.800
1.800 peak
16522
weight
0.11000E+01 volume
0.21131E+03 ppm1
4.410
ppm2
7.901

ASSI {16532}

((segid “BrD” and resid 96 and name HA))

(segid “BrD” and resid 96 and name HE %)

2.800
2.000
2.000 peak
16532
weight
0.11000E+01 volume
0.16900E+03 ppm1
4.410
ppm2
7.607

ASSI {16692}

((segid “BrD” and resid 52 and name HA))

((segid “BrD” and resid 53 and name HG2))

5.500
5.500
0.000 peak
16692
weight
0.11000E+01 volume
0.97221E+00 ppm1
5.592
ppm2
2.494

ASSI {16822}

((segid “BrD” and resid 105 and name HB1))

((segid “BrD” and resid 105 and name HA))

2.600
1.700
1.700 peak
16822
weight
0.11000E+01 volume
0.25358E+03 ppm1
3.721
ppm2
4.932

ASSI {17182}

((segid “BrD” and resid 105 and name HB2))

((segid “BrD” and resid 105 and name HA))

2.400
1.400
1.400 peak
17182
weight
0.11000E+01 volume
0.43854E+03 ppm1
3.668
ppm2
4.932

ASSI {17202}

((segid “BrD” and resid 105 and name HB2))

(segid “BrD” and resid 105 and name HD %)

2.200
1.200
1.200 peak
17202
weight
0.11000E+01 volume
0.67242E+03 ppm1
3.720
ppm2
7.788

ASSI {17242}

((segid “BrD” and resid 105 and name HA))

(segid “BrD” and resid 105 and name HD %)

2.200
1.200
1.200 peak
17242
weight
0.11000E+01 volume
0.69463E+03 ppm1
4.903
ppm2
7.787

ASSI {17292}

((segid “BrD” and resid 116 and name HA))

((segid “BrD” and resid 116 and name HG12))

2.800
2.000
2.000 peak
17292
weight
0.11000E+01 volume
0.16843E+03 ppm1
4.804
ppm2
1.554

ASSI {17302}

((segid “BrD” and resid 116 and name HA))

((segid “BrD” and resid 116 and name HG11))

3.300
2.400
2.400 peak
17302
weight
0.11000E+01 volume
0.94615E+02 ppm1
4.804
ppm2
1.917

ASSI {17412}

((segid “BrD” and resid 34 and name HB2))

(segid “BrD” and resid 34 and name HD %)

2.900
2.100
2.100 peak
17412
weight
0.11000E+01 volume
0.12277E+03 ppm1
3.125
ppm2
7.705

ASSI {17652}

(segid “BrD” and resid 81 and name HG2 %)

((segid “BrD” and resid 34 and name HA))

2.500
1.600
1.600 peak
17652
weight
0.11000E+01 volume
0.31158E+03 ppm1
0.760
ppm2
5.542

ASSI {17662}

(segid “BrD” and resid 81 and name HG2 %)

((segid “BrD” and resid 55 and name HA))

2.600
1.700
1.700 peak
17662
weight
0.11000E+01 volume
0.23078E+03 ppm1
0.755
ppm2
5.366

ASSI {17722}

((segid “BrD” and resid 33 and name HG1))

((segid “BrD” and resid 33 and name HA))

3.100
2.400
2.400 peak
17722
weight
0.11000E+01 volume
0.93743E+02 ppm1
0.859
ppm2
4.354

ASSI {17812}

((segid “BrD” and resid 33 and name HD2))

((segid “BrD” and resid 33 and name HB2))

3.000
2.200
2.200 peak
17812
weight
0.11000E+01 volume
0.10412E+03 ppm1
2.190
ppm2
−0.162

ASSI {17822}

((segid “BrD” and resid 33 and name HD1))

((segid “BrD” and resid 33 and name HB2))

3.000
2.200
2.200 peak
17822
weight
0.11000E+01 volume
0.9990E+02 ppm1
2.782
ppm2
−0.362

ASSI {17832}

((segid “BrD” and resid 33 and name HD2))

((segid “BrD” and resid 33 and name HA))

3.900
3.800
1.600 peak
17832
weight
0.11000E+01 volume
0.24295E+02 ppm1
2.190
ppm2
4.354

ASSI {17842}

((segid “BrD” and resid 33 and name HD1))

((segid “BrD” and resid 33 and name HA))

3.800
3.600
1.700 peak
17842
weight
0.11000E+01 volume
0.26770E+02 ppm1
2.785
ppm2
4.353

ASSI {17862}

((segid “BrD” and resid 33 and name HD2))

((segid “BrD” and resid 32 and name HA))

3.300
2.700
2.200 peak
17862
weight
0.11000E+01 volume
0.62722E+02 ppm1
2.190
ppm2
4.981

ASSI {17872}

((segid “BrD” and resid 33 and name HD1))

((segid “BrD” and resid 32 and name HH2))

5.500
5.500
0.000 peak
17872
weight
0.11000E+01 volume
0.61193E+03 ppm1
2.783
ppm2
7.797

ASSI {17882}

((segid “BrD” and resid 33 and name HD2))

((segid “BrD” and resid 32 and name HH2))

5.500
5.500
0.000 peak
17882
weight
0.11000E+01 volume
0.56139E+03 ppm1
2.191
ppm2
7.797

ASSI {17912}

((segid “BrD” and resid 33 and name HB1))

((segid “BrD” and resid 33 and name HD2))

3.900
3.800
1.600 peak
17912
weight
0.11000E+01 volume
0.21009E+02 ppm1
1.056
ppm2
2.190

ASSI {17942}

((segid “BrD” and resid 33 and name HB1))

((segid “BrD” and resid 33 and name HD1))

3.300
2.700
2.200 peak
17942
weight
0.11000E+01 volume
0.67464E+02 ppm1
1.056
ppm2
2.792

ASSI {18062}

((segid “BrD” and resid 75 and name HG1))

(segid “BrD” and resid 110 and name HG2 %)

4.000
4.000
1.500 peak
18062
weight
0.11000E+01 volume
0.20766E+02 ppm1
3.522
ppm2
1.262

ASSI {18082}

((segid “BrD” and resid 75 and name HG2))

(segid “BrD” and resid 110 and name HD1 %)

3.400
2.900
2.100 peak
18082
weight
0.11000E+01 volume
0.48309E+02 ppm1
3.226
ppm2
1.140

ASSI {18092}

((segid “BrD” and resid 75 and name HG2))

(segid “BrD” and resid 110 and name HG2 %)

4.100
4.100
1.400 peak
18092
weight
0.11000E+01 volume
0.17226E+02 ppm1
3.226
ppm2
1.262

ASSI {18162}

((segid “BrD” and resid 53 and name HB1))

((segid “BrD” and resid 52 and name HA))

5.500
5.500
0.000 peak
18162
weight
0.11000E+01 volume
0.54558E+00 ppm1
2.784
ppm2
5.582

ASSI {18172}

((segid “BrD” and resid 53 and name HB1))

(segid “BrD” and resid 46 and name HE %)

2.400
1.700
1.700 peak
18172
weight
0.11000E+01 volume
0.27274E+03 ppm1
2.783
ppm2
6.688

ASSI {18182}

((segid “BrD” and resid 53 and name HB1))

(segid “BrD” and resid 47 and name HE %)

2.500
1.600
1.600 peak
18182
weight
0.11000E+01 volume
0.34975E+03 ppm1
2.783
ppm2
7.267

ASSI {18192}

((segid “BrD” and resid 53 and name HA))

(segid “BrD” and resid 47 and name HD %)

3.200
2.400
2.400 peak
18192
weight
0.11000E+01 volume
0.93621E+02 ppm1
2.777
ppm2
7.962

ASSI {18222}

(segid “BrD” and resid 35 and name HE %)

((segid “BrD” and resid 35 and name HG1))

2.300
1.300
1.300 peak
18222
weight
0.11000E+01 volume
0.50180E+03 ppm1
2.781
ppm2
3.448

ASSI {18292}

(segid “BrD” and resid 35 and name HE %)

((segid “BrD” and resid 35 and name HA))

2.700
1.800
1.800 peak
18292
weight
0.11000E+01 volume
0.21224E+03 ppm1
2.782
ppm2
4.901

ASSI {18452}

((segid “BrD” and resid 75 and name HG2))

(segid “BrD” and resid 74 and name HD %)

3.400
2.900
2.100 peak
18452
weight
0.11000E+01 volume
0.49200E+02 ppm1
3.227
ppm2
6.999

ASSI {18462}

((segid “BrD” and resid 75 and name HG1))

(segid “BrD” and resid 74 and name HD %)

3.100
2.400
2.400 peak
18462
weight
0.11000E+01 volume
0.92286E+02 ppm1
3.524
ppm2
7.001

ASSI {18512}

(segid “BrD” and resid 75 and name HE %)

((segid “BrD” and resid 75 and name HA))

2.900
2.100
2.100 peak
18512
weight
0.11000E+01 volume
0.12672E+03 ppm1
2.635
ppm2
4.518

ASSI {18752}

(segid “BrD” and resid 75 and name HE %)

(segid “BrD” and resid 18 and name HD2 %)

3.800
3.600
1.700 peak
18752
weight
0.11000E+01 volume
0.27479E+02 ppm1
2.634
ppm2
0.416

ASSI {18792}

(segid “BrD” and resid 75 and name HE %)

(segid “BrD” and resid 110 and name HG2 %)

2.700
1.800
1.800 peak
18792
weight
0.11000E+01 volume
0.21856E+03 ppm1
2.634
ppm2
1.262

ASSI {18802}

(segid “BrD” and resid 75 and name HE %)

(segid “BrD” and resid 110 and name HD1 %)

2.600
1.700
1.700 peak
18802
weight
0.11000E+01 volume
0.24635E+03 ppm1
2.634
ppm2
1.140

ASSI {19032}

((segid “BrD” and resid 75 and name HA))

(segid “BrD” and resid 74 and name HD %)

2.600
1.700
1.700 peak
19032
weight
0.11000E+01 volume
0.28302E+03 ppm1
4.508
ppm2
6.998

ASSI {19112}

(segid “BrD” and resid 43 and name HB %)

(segid “BrD” and resid 88 and name HE %)

2.900
2.100
2.100 peak
19112
weight
0.11000E+01 volume
0.13802E+03 ppm1
1.700
ppm2
7.414

ASSI {19132}

(segid “BrD” and resid 43 and name HB %)

(segid “BrD” and resid 88 and name HD %)

4.900
4.900
0.600 peak
19132
weight
0.11000E+01 volume
0.55356E+01 ppm1
1.697
ppm2
7.609

ASSI {19142}

(segid “BrD” and resid 43 and name HB %)

(segid “BrD” and resid 46 and name HE %)

3.400
2.900
2.100 peak
19142
weight
0.11000E+01 volume
0.52712E+02 ppm1
1.497
ppm2
4.449

ASSI {19162}

(segid “BrD” and resid 43 and name HB %)

(segid “BrD” and resid 46 and name HD %)

2.600
1.700
1.700 peak
19142
weight
0.11000E+01 volume
0.28846E+03 ppm1
1.697
ppm2
5.753

ASSI {19852}

((segid “BrD” and resid 102 and name HA))

((segid “BrD” and resid 102 and name HG))

2.700
1.800
1.800 peak
19852
weight
0.11000E+01 volume
0.19930E+03 ppm1
4.263
ppm2
2.157

ASSI {20082}

((segid “BrD” and resid 110 and name HA))

((segid “BrD” and resid 110 and name HG11))

2.400
1.400
1.400 peak
20082
weight
0.11000E+01 volume
0.38344E+03 ppm1
4.411
ppm2
1.718

ASSI {20232}

(segid “BrD” and resid 17 and name HG2 %)

((segid “BrD” and resid 18 and name HA))

3.100
2.400
2.400 peak
20232
weight
0.11000E+01 volume
0.91939E+02 ppm1
1.747
ppm2
$$

ASSI {20342}

((segid “BrD” and resid 53 and name HA))

((segid “BrD” and resid 53 and name HD1))

3.300
2.700
2.200 peak
20342
weight
0.11000E+01 volume
0.66608E+02 ppm1
4.696
ppm2
4.210

ASSI {20372}

((segid “BrD” and resid 53 and name HA))

(segid “BrD” and resid 47 and name HE %)

3.900
3.800
1.600 peak
20372
weight
0.11000E+01 volume
0.22477E+02 ppm1
4.696
ppm2
7.260

ASSI {20422}

((segid “BrD” and resid 53 and name HD2))

((segid “BrD” and resid 53 and name HA))

3.200
2.600
2.300 peak
20422
weight
0.11000E+01 volume
0.75265E+02 ppm1
4.015
ppm2
4.696

ASSI {20432}

((segid “BrD” and resid 53 and name HD1))

(segid “BrD” and resid 50 and name HG2 %)

3.400
2.900
2.100 peak
20432
weight
0.11000E+01 volume
0.50650E+02 ppm1
4.214
ppm2
0.993

ASSI {20462}

((segid “BrD” and resid 53 and name HG1))

(segid “BrD” and resid 46 and name HE %)

3.600
3.200
1.900 peak
20462
weight
0.11000E+01 volume
0.35265E+02 ppm1
2.$$4
ppm2
6.689

ASSI {20472}

((segid “BrD” and resid 53 and name HG1))

(segid “BrD” and resid 47 and name HE %)

2.500
1.600
1.600 peak
20472
weight
0.11000E+01 volume
0.29199E+03 ppm1
2.784
ppm2
7.267

ASSI {20482}

((segid “BrD” and resid 53 and name HG2))

(segid “BrD” and resid 47 and name HE %)

2.600
1.700
1.700 peak
20482
weight
0.11000E+01 volume
0.27122E+03 ppm1
2.484
ppm2
7.267

ASSI {20492}

((segid “BrD” and resid 53 and name HG2))

(segid “BrD” and resid 47 and name HD %)

2.400
1.400
1.400 peak
20492
weight
0.11000E+01 volume
0.38647E+03 ppm1
2.486
ppm2
7.958

ASSI {20502}

((segid “BrD” and resid 53 and name HG1))

(segid “BrD” and resid 47 and name HD %)

2.800
2.000
2.000 peak
20502
weight
0.11000E+01 volume
0.18213E+03 ppm1
2.784
ppm2
7.958

ASSI {20522}

((segid “BrD” and resid 53 and name HG1))

((segid “BrD” and resid 52 and name HA))

5.500
5.500
0.000 peak
20522
weight
0.11000E+01 volume
0.58337E+01 ppm1
2.784
ppm2
5.587

ASSI {20602}

((segid “BrD” and resid 61 and name HG2))

((segid “BrD” and resid 58 and name HA))

2.500
1.600
1.600 peak
20602
weight
0.11000E+01 volume
0.31153E+03 ppm1
2.831
ppm2
4.452

ASSI {20612}

((segid “BrD” and resid 61 and name HG1))

((segid “BrD” and resid 58 and name HA))

2.500
1.600
1.600 peak
20612
weight
0.11000E+01 volume
0.36307E+03 ppm1
2.980
ppm2
4.452

ASSI {20702}

((segid “BrD” and resid 80 and name HA))

((segid “BrD” and resid 83 and name HB))

1.400
0.500
0.800 peak
20702
weight
0.11000E+01 volume
0.11465E+05 ppm1
4.656
ppm2
4.804

ASSI {20772}

((segid “BrD” and resid 58 and name HB))

((segid “BrD” and resid 54 and name HA))

3.400
2.900
2.100 peak
20772
weight
0.21000E+01 volume
0.51113E+03 ppm1
4.702
ppm2
5.544

ASSI {20782}

(segid “BrD” and resid 58 and name HG2 %)

((segid “BrD” and resid 54 and name HA))

2.800
2.000
2.000 peak
20782
weight
0.11000E+01 volume
0.15234E+03 ppm1
1.644
ppm2
5.542

ASSI {20882}

((segid “BrD” and resid 62 and name HD1))

((segid “BrD” and resid 62 and name HA))

3.100
2.400
2.400 peak
20882
weight
0.11000E+01 volume
0.94082E+02 ppm1
3.177
ppm2
4.476

ASSI {20892}

((segid “BrD” and resid 62 and name HD2))

((segid “BrD” and resid 62 and name HA))

3.000
2.200
2.200 peak
20892
weight
0.11000E+01 volume
0.10112E+03 ppm1
2.634
ppm2
4.476

ASSI {20902}

((segid “BrD” and resid 62 and name HD1))

(segid “BrD” and resid 67 and name HE %)

4.400
4.400
1.100 peak
20902
weight
0.11000E+01 volume
0.11575E+02 ppm1
3.177
ppm2
7.316

ASSI {20912}

((segid “BrD” and resid 62 and name HD1))

(segid “BrD” and resid 67 and name HD %)

3.700
3.400
1.800 peak
20912
weight
0.11000E+01 volume
0.30541E+02 ppm1
3.177
ppm2
6.893

ASSI {20922}

((segid “BrD” and resid 62 and name HD2))

(segid “BrD” and resid 67 and name HD %)

3.400
2.900
2.100 peak
20922
weight
0.11000E+01 volume
0.54284E+02 ppm1
2.634
ppm2
6.893

ASSI {20932}

((segid “BrD” and resid 62 and name HD2))

(segid “BrD” and resid 67 and name HE %)

3.100
2.400
2.400 peak
20932
weight
0.11000E+01 volume
0.91289E+02 ppm1
2.634
ppm2
7.315

ASSI {20952}

((segid “BrD” and resid 62 and name HB1))

((segid “BrD” and resid 62 and name HD1))

3.200
2.600
2.300 peak
20952
weight
0.11000E+01 volume
0.71708E+02 ppm1
2.641
ppm2
3.183

ASSI {20962}

((segid “BrD” and resid 62 and name HB2))

((segid “BrD” and resid 62 and name HG1))

3.000
2.200
2.200 peak
20962
weight
0.11000E+01 volume
0.10075E+03 ppm1
1.699
ppm2
2.325

ASSI {20972}

((segid “BrD” and resid 62 and name HG2))

((segid “BrD” and resid 62 and name HB1))

2.700
1.800
1.800 peak
20972
weight
0.11000E+01 volume
0.20830E+03 ppm1
2.641
ppm2
1.479

ASSI {21012}

((segid “BrD” and resid 62 and name HG2))

((segid “BrD” and resid 62 and name HD1))

3.100
2.400
2.400 peak
21012
weight
0.11000E+01 volume
0.87215E+02 ppm1
1.501
ppm2
3.182

ASSI {21022}

((segid “BrD” and resid 62 and name HG1))

((segid “BrD” and resid 62 and name HA))

2.900
2.100
2.100 peak
21022
weight
0.11000E+01 volume
0.13858E+03 ppm1
2.340
ppm2
4.474

ASSI {21162}

((segid “BrD” and resid 83 and name HA))

((segid “BrD” and resid 86 and name HG2))

4.800
4.800
0.700 peak
21162
weight
0.11000E+01 volume
0.66244E+01 ppm1
4.459
ppm2
0.766

ASSI {21512}

((segid “BrD” and resid 38 and name HB))

(segid “BrD” and resid 46 and name HD %)

3.400
2.900
2.100 peak
21512
weight
0.11000E+01 volume
0.54169E+02 ppm1
1.747
ppm2
5.745

ASSI {21522}

((segid “BrD” and resid 38 and name HB))

(segid “BrD” and resid 47 and name HE %)

4.500
4.500
1.000 peak
21522
weight
0.11000E+01 volume
0.90841E+01 ppm1
1.751
ppm2
7.259

ASSI {21532}

((segid “BrD” and resid 38 and name HB))

(segid “BrD” and resid 46 and name HE %)

4.500
4.500
1.000 peak
21532
weight
0.11000E+01 volume
0.94356E+01 ppm1
1.747
ppm2
6.689

ASSI {21602}

(segid “BrD” and resid 81 and name HG1 %)

((segid “BrD” and resid 34 and name HB2))

3.300
2.700
2.200 peak
21602
weight
0.11000E+01 volume
0.56657E+02 ppm1
1.056
ppm2
3.146

ASSI {21622}

(segid “BrD” and resid 81 and name HG1 %)

((segid “BrD” and resid 55 and name HA))

2.400
1.400
1.400 peak
21622
weight
0.11000E+01 volume
0.44267E+03 ppm1
1.056
ppm2
5.367

ASSI {21632}

(segid “BrD” and resid 81 and name HG1 %)

((segid “BrD” and resid 34 and name HA))

2.800
2.000
2.000 peak
21632
weight
0.11000E+01 volume
0.15411E+03 ppm1
1.056
ppm2
5.542

ASSI {21762}

(segid “BrD” and resid 81 and name HG2 %)

((segid “BrD” and resid 78 and name HA))

2.600
1.700
1.700 peak
21762
weight
0.11000E+01 volume
0.24983E+03 ppm1
0.760
ppm2
4.004

ASSI {21832}

(segid “BrD” and resid 50 and name HD1 %)

(segid “BrD” and resid 49 and name HG1 %)

2.900
2.100
2.100 peak
21832
weight
0.11000E+01 volume
0.14668E+03 ppm1
1.155
ppm2
1.645

ASSI {21842}

(segid “BrD” and resid 50 and name HD1 %)

(segid “BrD” and resid 49 and name HG2 %)

2.400
1.400
1.400 peak
21842
weight
0.11000E+01 volume
0.37404E+03 ppm1
1.155
ppm2
1.571

ASSI {21852}

((segid “BrD” and resid 49 and name HB))

(segid “BrD” and resid 88 and name HD %)

3.400
2.900
2.100 peak
21852
weight
0.11000E+01 volume
0.48521E+02 ppm1
2.634
ppm2
7.606

ASSI {21862}

((segid “BrD” and resid 49 and name HB))

(segid “BrD” and resid 88 and name HE %)

3.400
2.900
2.100 peak
21862
weight
0.11000E+01 volume
0.55049E+02 ppm1
2.634
ppm2
7.414

ASSI {21872}

((segid “BrD” and resid 49 and name HB))

((segid “BrD” and resid 46 and name HA))

3.700
3.400
1.800 peak
21872
weight
0.11000E+01 volume
0.31537E+02 ppm1
2.634
ppm2
4.143

ASSI {21912}

(segid “BrD” and resid 50 and name HD1 %)

((segid “BrD” and resid 87 and name HB2))

2.600
1.700
1.700 peak
21912
weight
0.11000E+01 volume
0.24085E+03 ppm1
1.155
ppm2
2.603

ASSI {21922}

(segid “BrD” and resid 50 and name HD1 %)

((segid “BrD” and resid 87 and name HB1))

2.400
2.400
1.400 peak
21922
weight
0.11000E+01 volume
0.36901E+03 ppm1
1.155
ppm2
2.778

ASSI {21932}

(segid “BrD” and resid 50 and name HD1 %)

((segid “BrD” and resid 87 and name HG1))

3.700
3.400
1.800 peak
21932
weight
0.11000E+01 volume
0.32396E+02 ppm1
1.155
ppm2
3.028

ASSI {21942}

(segid “BrD” and resid 50 and name HD1 %)

((segid “BrD” and resid 84 and name HB2))

2.700
1.800
1.800 peak
21942
weight
0.11000E+01 volume
0.22842E+03 ppm1
1.155
ppm2
3.272

ASSI {21962}

(segid “BrD” and resid 50 and name HD1 %)

((segid “BrD” and resid 84 and name HB1))

2.600
1.700
1.700 peak
21962
weight
0.11000E+01 volume
0.28478E+03 ppm1
1.155
ppm2
3.606

ASSI {21992}

(segid “BrD” and resid 50 and name HD1 %)

((segid “BrD” and resid 88 and name HA))

2.700
1.800
1.800 peak
21992
weight
0.11000E+01 volume
0.19153E+03 ppm1
1.155
ppm2
4.988

ASSI {22002}

(segid “BrD” and resid 50 and name HD1 %)

((segid “BrD” and resid 84 and name HA))

2.300
1.300
1.300 peak
22002
weight
0.11000E+01 volume
0.57384E+03 ppm1
1.155
ppm2
4.915

ASSI {22052}

((segid “BrD” and resid 50 and name HB))

(segid “BrD” and resid 46 and name HE %)

3.000
2.200
2.200 peak
22052
weight
0.11000E+01 volume
0.99146E+02 ppm1
1.797
ppm2
6.489

ASSI {22092}

(segid “BrD” and resid 50 and name HG2 %)

((segid “BrD” and resid 52 and name HA))

3.500
3.100
2.000 peak
22092
weight
0.11000E+01 volume
0.46395E+02 ppm1
1.006
ppm2
5.587

ASSI {22102}

(segid “BrD” and resid 50 and name HG2 %)

(segid “BrD” and resid 46 and name HD %)

3.700
3.400
1.800 peak
22102
weight
0.11000E+01 volume
0.30083E+02 ppm1
1.007
ppm2
5.745

ASSI {22152}

(segid “BrD” and resid 50 and name HG2 %)

(segid “BrD” and resid 47 and name HE %)

4.300
4.300
1.200 peak
22152
weight
0.11000E+01 volume
0.12530E+02 ppm1
1.007
ppm2
7.259

ASSI {22162}

(segid “BrD” and resid 50 and name HG2 %)

(segid “BrD” and resid 46 and name HE %)

2.500
1.600
1.600 peak
22162
weight
0.11000E+01 volume
0.31318E+03 ppm1
1.007
ppm2
6.689

ASSI {22172}

(segid “BrD” and resid 50 and name HG2 %)

((segid “BrD” and resid 84 and name HA))

2.900
2.100
2.100 peak
22172
weight
0.11000E+01 volume
0.14754E+03 ppm1
1.007
ppm2
4.915

ASSI {22192}

((segid “BrD” and resid 50 and name HG2 %)

((segid “BrD” and resid 49 and name HG2 %)

3.700
3.400
1.800 peak
22192
weight
0.11000E+01 volume
0.30274E+02 ppm1
1.006
ppm2
1.570

ASSI {22262}

((segid “BrD” and resid 50 and name HG12))

((segid “BrD” and resid 50 and name HA))

3.300
2.700
2.200 peak
22262
weight
0.11000E+01 volume
0.57888E+02 ppm1
0.809
ppm2
4.522

ASSI {22342}

(segid “BrD” and resid 69 and name HG2 %)

((segid “BrD” and resid 70 and name HA))

3.500
3.100
2.000 peak
22342
weight
0.11000E+01 volume
0.43395E+02 ppm1
1.427
ppm2
5.356

ASSI {22512}

(segid “BrD” and resid 49 and name HG1 %)

(segid “BrD” and resid 88 and name HE %)

2.300
1.300
1.300 peak
22517
weight
0.11000E+01 volume
0.52744E+03 ppm1
1.646
ppm2
7.419

ASSI {22522}

(segid “BrD” and resid 49 and name HG1 %)

(segid “BrD” and resid 88 and name HD %)

2.500
1.600
1.600 peak
22522
weight
0.11000E+01 volume
0.29406E+03 ppm1
1.646
ppm2
7.604

ASSI {22652}

((segid “BrD” and resid 7 and name HG1))

((segid “BrD” and resid 7 and name HA))

3.000
2.200
2.200 peak
22652
weight
0.11000E+01 volume
0.11329E+03 ppm1
2.880
ppm2
5.143

ASSI {22792}

((segid “BrD” and resid 104 and name HB1))

((segid “BrD” and resid 101 and name HA))

2.300
1.300
1.300 peak
24792
weight
0.11000E+01 volume
0.53105E+03 ppm1
2.537
ppm2
4.267

ASSI {22872}

((segid “BrD” and resid 6 and name HE1))

((segid “BrD” and resid 6 and name HA))

2.100
1.100
1.100 peak
22872
weight
0.11000E+01 volume
0.98321E+03 ppm1
3.610
ppm2
4.972

ASSI {22942}

((segid “BrD” and resid 44 and name HD2))

((segid “BrD” and resid 44 and name HA))

3.100
2.400
2.400 peak
22942
weight
0.11000E+01 volume
0.83098E+02 ppm1
4.114
ppm2
5.114

ASSI {23162}

((segid “BrD” and resid 8 and name HG1))

((segid “BrD” and resid 8 and name HA))

2.600
1.700
1.700 peak
23162
weight
0.11000E+01 volume
0.28012E+03 ppm1
2.635
ppm2
5.021

ASSI {23172}

((segid “BrD” and resid 11 and name HG1))

((segid “BrD” and resid 10 and name HA))

4.100
4.100
1.400 peak
23172
weight
0.11000E+01 volume
0.17156E+02 ppm1
2.635
ppm2
5.477

ASSI {23302}

((segid “BrD” and resid 9 and name HD1))

((segid “BrD” and resid 9 and name HA))

2.900
2.100
2.100 peak
23302
weight
0.11000E+01 volume
0.23154E+03 ppm1
3.768
ppm2
4.940

ASSI {23352}

((segid “BrD” and resid 9 and name HD1))

((segid “BrD” and resid 9 and name HB1))

2.400
1.400
1.400 peak
23352
weight
0.11000E+01 volume
0.39945E+03 ppm1
3.768
ppm2
2.434

ASSI {23362}

((segid “BrD” and resid 9 and name HD1))

((segid “BrD” and resid 9 and name HB2))

2.300
1.300
1.300 peak
23362
weight
0.11000E+01 volume
0.50335E+03 ppm1
3.768 pm2
2.385

ASSI {23542}

((segid “BrD” and resid 11 and name HA))

((segid “BrD” and resid 11 and name HD1))

2.600
1.700
1.700 peak
23542
weight
0.11000E+01 volume
0.23295E+03 ppm1
4.951
ppm2
4.459

ASSI {23552}

(segid “BrD” and resid 14 and name HD2 %)

((segid “BrD” and resid 11 and name HA))

2.500
1.600
1.600 peak
23552
weight
0.11000E+01 volume
0.34571E+03 ppm1
1.401
ppm2
4.947

ASSI {23692}

((segid “BrD” and resid 14 and name HB2))

(segid “BrD” and resid 18 and name HD1 %)

2.900
2.100
2.100 peak
23692
weight
0.11000E+01 volume
0.14113E+03 ppm1
2.143
ppm2
1.084

ASSI {23702}

((segid “BrD” and resid 14 and name HA))

(segid “BrD” and resid 17 and name HG2 %)

3.400
2.900
2.100 peak
23702
weight
0.11000E+01 volume
0.49626E+02 ppm1
4.656
ppm2
1.750

ASSI {23722}

((segid “BrD” and resid 14 and name HG))

(segid “BrD” and resid 18 and name HD2 %)

3.200
2.600
2.300 peak
23722
weight
0.11000E+01 volume
0.69871E+02 ppm1
2.044
ppm2
0.415

ASSI {23752}

((segid “BrD” and resid 14 and name HA))

((segid “BrD” and resid 17 and name HB))

2.100
1.100
1.100 peak
23752
weight
0.11000E+01 volume
0.89711E+03 ppm1
4.656
ppm2
4.854

ASSI {23852}

(segid “BrD” and resid 14 and name HD1 %)

((segid “BrD” and resid 11 and name HA))

2.200
1.200
1.200 peak
23852
weight
0.11000E+01 volume
0.75160E+03 ppm1
1.402
ppm2
4.947

ASSI {23952}

((segid “BrD” and resid 18 and name HB2))

((segid “BrD” and resid 15 and name HA))

3.200
3.600
2.300 peak
23952
weight
0.11000E+01 volume
0.79651E+02 ppm1
0.911
ppm2
4.630

ASSI {23962}

((segid “BrD” and resid 18 and name HB1))

((segid “BrD” and resid 15 and name HA))

3.100
2.400
2.400 peak
23962
weight
0.11000E+01 volume
0.98332E+02 ppm1
2.144
ppm2
4.626

ASSI {24042}

(segid “BrD” and resid 18 and name HD2 %)

((segid “BrD” and resid 17 and name HB))

2.900
2.100
2.100 peak
24042
weight
0.11000E+01 volume
0.13399E+03 ppm1
0.414
ppm2
4.860

ASSI {24052}

(segid “BrD” and resid 18 and name HD2 %)

(segid “BrD” and resid 74 and name HD %)

2.500
1.600
1.600 peak
24052
weight
0.11000E+01 volume
0.29789E+03 ppm1
0.415
ppm2
6.998

ASSI {24062}

(segid “BrD” and resid 18 and name HD2 %)

(segid “BrD” and resid 74 and name HE %)

2.700
1.800
1.800 peak
24062
weight
0.11000E+01 volume
0.22219E+03 ppm1
0.415
ppm2
7.534

ASSI {24072}

(segid “BrD” and resid 18 and name HD2 %)

((segid “BrD” and resid 74 and name HB1))

3.200
2.600
2.300 peak
24072
weight
0.11000E+01 volume
0.70185E+02 ppm1
0.419
ppm2
3.565

ASSI {24082}

(segid “BrD” and resid 18 and name HD2 %)

((segid “BrD” and resid 74 and name HB2))

2.900
2.100
2.100 peak
24082
weight
0.11000E+01 volume
0.13658E+03 ppm1
0.415
ppm2
2.995

ASSI {24092}

(segid “BrD” and resid 18 and name HD2 %)

(segid “BrD” and resid 63 and name HD1 %)

3.200
2.600
2.300 peak
24092
weight
0.11000E+01 volume
0.72579E+02 ppm1
0.414
ppm2
1.648

ASSI {24132}

(segid “BrD” and resid 18 and name HD2 %)

((segid “BrD” and resid 74 and name HA))

3.400
2.900
2.100 peak
24132
weight
0.11000E+01 volume
0.52592E+02 ppm1
0.414
ppm2
4.378

ASSI {24162}

(segid “BrD” and resid 18 and name HD1 %)

(segid “BrD” and resid 74 and name HE %)

3.000
2.200
2.200 peak
24162
weight
0.11000E+01 volume
0.10145E+03 ppm1
1.058
ppm2
7.536

ASSI {24182}

(segid “BrD” and resid 18 and name HD1 %)

(segid “BrD” and resid 74 and name HD %)

2.600
1.700
1.700 peak
24182
weight
0.11000E+01 volume
0.27877E+03 ppm1
1.056
ppm2
6.998

ASSI {24212}

(segid “BrD” and resid 18 and name HD1 %)

((segid “BrD” and resid 74 and name HA))

3.200
2.600
2.300 peak
24212
weight
0.11000E+01 volume
0.78587E+02 ppm1
1.056
ppm2
4.378

ASSI {24522}

(segid “BrD” and resid 63 and name HD1 %)

((segid “BrD” and resid 19 and name HA)

2.600
1.700
1.700 peak
24522
weight
0.11000E+01 volume
0.26998E+03 ppm1
1.647
ppm2
4.297

ASSI {24662}

(segid “BrD” and resid 63 and name HD2 %)

(segid “BrD” and resid 18 and name HD1 %)

2.700
1.800
1.800 peak
24662
weight
0.11000E+01 volume
0.19359E+03 ppm1
1.498
ppm2
1.090

ASSI {24672}

(segid “BrD” and resid 63 and name HD2 %)

((segid “BrD” and resid 18 and name HB2))

5.500
5.500
0.000 peak
24672
weight
0.11000E+01 volume
0.20842E+01 ppm1
1.498
ppm2
0.928

ASSI {24742}

((segid “BrD” and resid 19 and name HB2))

((segid “BrD” and resid 19 and name HE1))

4.000
4.000
1.500 peak
24742
weight
0.11000E+01 volume
0.20066E+02 ppm1
1.989
ppm2
3.525

ASSI {24752}

((segid “BrD” and resid 19 and name HB1))

((segid “BrD” and resid 19 and name HE1))

3.300
2.700
2.200 peak
24752
weight
0.11000E+01 volume
0.65557E+02 ppm1
2.290
ppm2
3.525

ASSI {24762}

((segid “BrD” and resid 19 and name HG1))

((segid “BrD” and resid 16 and name HA))

2.900
2.100
2.100 peak
24762
weight
0.11000E+01 volume
0.12763E+03 ppm1
1.894
ppm2
4.508

ASSI {24812}

((segid “BrD” and resid 19 and name HD1))

((segid “BrD” and resid 16 and name HA))

2.300
1.300
1.300 peak
24812
weight
0.11000E+01 volume
0.50116E+03 ppm1
2.192
ppm2
4.507

ASSI {24872}

((segid “BrD” and resid 23 and name HG1))

((segid “BrD” and resid 20 and name HA))

3.100
2.400
2.400 peak
24872
weight
0.11000E+01 volume
0.91712E+02 ppm1
3.124
ppm2
4.893

ASSI {24902}

((segid “BrD” and resid 24 and name HG1))

((segid “BrD” and resid 21 and name HA))

3.200
2.600
2.300 peak
24902
weight
0.11000E+01 volume
0.67606E+02 ppm1
3.469
ppm2
4.370

ASSI {24912}

((segid “BrD” and resid 24 and name HG2))

((segid “BrD” and resid 21 and name HA))

2.600
2.700
1.700 peak
24912
weight
0.11000E+01 volume
0.26410E+03 ppm1
3.076
ppm2
4.370

ASSI {24932}

((segid “BrD” and resid 24 and name HA))

((segid “BrD” and resid 24 and name HB1))

2.200
1.200
1.200 peak
24932
weight
0.11000E+01 volume
0.62910E+03 ppm1
4.784
ppm2
3.074

ASSI {25432}

((segid “BrD” and resid 85 and name HB1))

((segid “BrD” and resid 82 and name HA))

3.100
2.400
2.400 peak
25432
weight
0.11000E+01 volume
0.87929E+02 ppm1
3.917
ppm2
4.753

ASSI {25552}

((segid “BrD” and resid 101 and name HG12))

((segid “BrD” and resid 101 and name HB))

2.300
1.300
1.300 peak
25552
weight
0.11000E+01 volume
0.65437E+03 ppm1
2.797
ppm2
2.538

ASSI {25612}

(segid “BrD” and resid 21 and name HG2 %)

((segid “BrD” and resid 18 and name HA))

3.000
2.200
2.200 peak
25612
weight
0.11000E+01 volume
0.11187E+03 ppm1
1.599
ppm2
3.890

ASSI {26032}

(segid “BrD” and resid 110 and name HD1 %)

((segid “BrD” and resid 75 and name HG1))

3.400
2.900
2.100 peak
26032
weight
0.11000E+01 volume
0.51048E+02 ppm1
1.155
ppm2
3.524

ASSI {26172}

(segid “BrD” and resid 110 and name HG2 %)

(segid “BrD” and resid 18 and name HD2 %)

4.400
4.400
1.100 peak
26172
weight
0.11000E+01 volume
0.11733E+02 ppm1
1.254
ppm2
0.408

ASSI {26182}

(segid “BrD” and resid 110 and name HD1 %)

(segid “BrD” and resid 18 and name HD2 %)

3.000
2.200
2.200 peak
26182
weight
0.1100E+01 volume
0.11735E+03 ppm1
1.153
ppm2
0.410

ASSI {26302}

(segid “BrD” and resid 116 and name HD1 %)

((segid “BrD” and resid 116 and name HA))

2.500
1.600
1.600 peak
26302
weight
0.11000E+01 volume
0.31414E+03 ppm1
1.401
ppm2
4.826

ASSI {26562}

((segid “BrD” and resid 103 and name HA))

(segid “BrD” and resid 106 and name HD %)

3.100
2.400
2.400 peak
26562
weight
0.11000E+01 volume
0.97052E+02 ppm1
3.768
ppm2
7.514

ASSI {26592}

((segid “BrD” and resid 103 and name HB1))

((segid “BrD” and resid 100 and name HA))

2.700
1.800
1.800 peak
26592
weight
0.11000E+01 volume
0.20226E+03 ppm1
2.338
ppm2
4.946

ASSI {26642}

((segid “BrD” and resid 103 and name HB2))

((segid “BrD” and resid 103 and name HG2))

2.000
1.000
1.000 peak
26642
weight
0.11000E+01 volume
0.14101E+04 ppm1
1.891
ppm2
2.520

ASSI {26652}

((segid “BrD” and resid 103 and name HB2))

((segid “BrD” and resid 103 and name HG1))

2.200
1.200
1.200 peak
26652
weight
0.11000E+01 volume
0.62174E+03 ppm1
1.893
ppm2
2.598

ASSI {26662}

((segid “BrD” and resid 103 and name HG2))

((segid “BrD” and resid 100 and name HA))

3.500
3.100
2.000 peak
26662
weight
0.11000E+01 volume
0.45243E+02 ppm1
2.519
ppm2
4.947

ASSI {26672}

((segid “BrD” and resid 103 and name HG1))

((segid “BrD” and resid 100 and name HA))

3.900
3.800
1.600 peak
26672
weight
0.11000E+01 volume
0.23440E+02 ppm1
2.598
ppm2
4.947

ASSI {26722}

((segid “BrD” and resid 94 and name HG1))

((segid “BrD” and resid 32 and name HH2))

2.900
2.100
2.100 peak
26722
weight
0.11000E+01 volume
0.14855E+03 ppm1
3.129
ppm2
7.788

ASSI {26782}

((segid “BrD” and resid 94 and name HB1))

((segid “BrD” and resid 32 and name HZ2))

2.500
1.600
1.600 peak
26782
weight
0.11000E+01 volume
0.35938E+03 ppm1
2.735
ppm2
7.998

ASSI {26792}

((segid “BrD” and resid 94 and name HB1))

((segid “BrD” and resid 32 and name HH2))

3.000
2.200
2.200 peak
26792
weight
0.11000E+01 volume
0.10089E+03 ppm1
2.733
ppm2
7.785

ASSI {26842}

((segid “BrD” and resid 94 and name HG1))

((segid “BrD” and resid 94 and name HB1))

2.200
1.200
1.200 peak
26842
weight
0.11000E+01 volume
0.72439E+03 ppm1
3.123
ppm2
2.731

ASSI {26862}

((segid “BrD” and resid 87 and name HG2))

((segid “BrD” and resid 86 and name HD1))

3.600
3.200
1.900 peak
26862
weight
0.11000E+01 volume
0.34874E+02 ppm1
2.782
ppm2
1.900

ASSI {26882}

((segid “BrD” and resid 87 and name HB1))

((segid “BrD” and resid 87 and name HG1))

2.400
1.400
1.400 peak
26882
weight
0.11000E+01 volume
0.47090E+03 ppm1
2.779
ppm2
3.021

ASSI {27152}

((segid “BrD” and resid 80 and name HD2))

((segid “BrD” and resid 80 and name HA))

2.400
1.400
1.400 peak
27152
weight
0.11000E+01 volume
0.41973E+03 ppm1
3.912
ppm2
4.678

ASSI {27162}

((segid “BrD” and resid 80 and name HD1))

((segid “BrD” and resid 80 and name HA))

2.600
1.700
1.700 peak
27162
weight
0.11000E+01 volume
0.27730E+03 ppm1
3.962
ppm2
4.677

ASSI {27212}

((segid “BrD” and resid 77 and name HB1))

((segid “BrD” and resid 74 and name HA))

2.800
2.000
2.000 peak
27212
weight
0.11000E+01 volume
0.14302E+01 ppm1
1.325
ppm2
4.378

ASSI {27242}

((segid “BrD” and resid 80 and name HB2))

((segid “BrD” and resid 80 and name HD1))

2.900
2.100
2.100 peak
2.7242
weight
0.11000E+01 volume
0.12614E+03 ppm1
2.536
ppm2
3.955

ASSI {27252}

((segid “BrD” and resid 80 and name HB2))

((segid “BrD” and resid 80 and name HD2))

2.800
2.000
2.000 peak
27252
weight
0.11000E+01 volume
0.14981E+03 ppm1
2.536
ppm2
3.890

ASSI {27312}

((segid “BrD” and resid 56 and name HG))

((segid “BrD” and resid 34 and name HA))

5.500
5.500
0.000 peak
27312
weight
0.11000E+01 volume
0.47641E+00 ppm1
2.338
ppm2
5.542

ASSI {27352}

((segid “BrD” and resid 55 and name HB1))

((segid “BrD” and resid 55 and name HA))

2.200
1.200
1.200 peak
27352
weight
0.11000E+01 volume
0.72273E+03 ppm1
2.979
ppm2
5.366

ASSI {27412}

(segid “BrD” and resid 81 and name HG1 %)

((segid “BrD” and resid 34 and name HB1))

3.100
2.400
2.400 peak
27412
weight
0.11000E+01 volume
0.93003E+02 ppm1
1.058
ppm2
4.106

ASSI {27512}

(segid “BrD” and resid 22 and name HD2 %)

((segid “BrD” and resid 22 and name HG))

1.900
0.900
0.900 peak
27512
weight
0.11000E+01 volume
0.14735E+04 ppm1
1.599
ppm2
2.362

ASSI {27522}

(segid “BrD” and resid 22 and name HD2 %)

((segid “BrD” and resid 22 and name HB2))

2.200
1.200
1.200 peak
27522
weight
0.11000E+01 volume
0.70123E+03 ppm1
1.599
ppm2
2.286

ASSI {27682}

(segid “BrD” and resid 73 and name HD2 %)

((segid “BrD” and resid 73 and name HB2))

2.900
2.100
2.100 peak
27682
weight
0.11000E+01 volume
0.12667E+03 ppm1
1.600
ppm2
2.483

ASSI {27922}

(segid “BrD” and resid 78 and name HD1 %)

(segid “BrD” and resid 82 and name HD %)

3.600
3.200
1.900 peak
27922
weight
0.11000E+01 volume
0.39776E+02 ppm1
0.760
ppm2
7.259

ASSI {27972}

(segid “BrD” and resid 78 and name HD2 %)

(segid “BrD” and resid 82 and name HD %)

3.400
2.900
2.100 peak
27972
weight
0.11000E+01 volume
0.49710E+02 ppm1
0.662
ppm2
7.259

ASSI {28242}

(segid “BrD” and resid 56 and name HD1 %)

((segid “BrD” and resid 34 and name HB1))

3.000
2.200
2.200 peak
28242
weight
0.11000E+01 volume
0.10505E+03 ppm1
1.549
ppm2
4.110

ASSI {28282}

(segid “BrD” and resid 56 and name HD2 %)

((segid “BrD” and resid 34 and name HA))

3.800
3.600
1.700 peak
28282
weight
0.11000E+01 volume
0.25930E+02 ppm1
1.253
ppm2
5.540

ASSI {28312}

(segid “BrD” and resid 56 and name HD2 %)

((segid “BrD” and resid 34 and name HB1))

3.400
2.900
2.100 peak
28312
weight
0.11000E+01 volume
0.48455E+02 ppm1
1.253
ppm2
4.110

ASSI {28362}

(segid “BrD” and resid 56 and name HD2 %)

((segid “BrD” and resid 34 and name HB2))

3.200
2.600
2.300 peak
28362
weight
0.11000E+01 volume
0.68625E+02 ppm1
1.254
ppm2
3.134

ASSI {28672}

(segid “BrD” and resid 102 and name HD1 %)

((segid “BrD” and resid 102 and name HA))

2.100
1.100
1.100 peak
28672
weight
0.11000E+01 volume
0.89519E+03 ppm1
1.303
ppm2
4.282

ASSI {28712}

(segid “BrD” and resid 102 and name HD2 %)

((segid “BrD” and resid 102 and name HB2))

2.000
1.000
1.000 peak
28712
weight
0.11000E+01 volume
0.12274E+04 ppm1
1.303
ppm2
1.832

ASSI {28802}

((segid “BrD” and resid 115 and name HG))

((segid “BrD” and resid 115 and name HA))

2.400
1.400
1.400 peak
28802
weight
0.11000E+01 volume
0.40182E+03 ppm1
2.143
ppm2
4.828

ASSI {28962}

(segid “BrD” and resid 56 and name HD1 %)

((segid “BrD” and resid 34 and name HA))

3.200
2.600
2.300 peak
28962
weight
0.11000E+01 volume
0.68400E+02 ppm1
1.544
ppm2
5.540

ASSI {28982}

((segid “BrD” and resid 59 and name HG2))

((segid “BrD” and resid 56 and name HA))

2.400
1.400
1.400 peak
28982
weight
0.11000E+01 volume
0.37484E+03 ppm1
3.137
ppm2
4.636

ASSI {29062}

(segid “BrD” and resid 59 and name HE %)

((segid “BrD” and resid 56 and name HA))

3.100
2.400
2.400 peak
29062
weight
0.11000E+01 volume
0.84530E+02 ppm1
1.847
ppm2
4.636

ASSI {29122}

(segid “BrD” and resid 59 and name HE %)

(segid “BrD” and resid 74 and name HE %)

2.400
1.400
1.400 peak
29122
weight
0.11000E+01 volume
0.44730E+03 ppm1
1.548
ppm2
7.535

ASSI {29182}

(segid “BrD” and resid 54 and name HE %)

((segid “BrD” and resid 58 and name H$$))

3.000
2.200
2.200 peak
29182
weight
0.11000E+01 volume
0.12060E+03 ppm1
2.536
ppm2
4.696

ASSI {29282}

((segid “BrD” and resid 54 and name HB1))

((segid “BrD” and resid 54 and name HG1))

2.600
2.000
2.000 peak
29162
weight
0.11000E+01 volume
0.16180E+03 ppm1
2.545
ppm2
3.304

ASSI {29312}

((segid “BrD” and resid 44 and name HB2))

((segid “BrD” and resid 44 and name HD2))

3.500
3.100
2.000 peak
29312
weight
0.11000E+01 volume
0.45332E+02 ppm1
2.634
ppm2
4.126

ASSI {29342}

((segid “BrD” and resid 44 and name HG2))

((segid “BrD” and resid 43 and name HA))

3.600
3.200
1.900 peak
29342
weight
0.11000E+01 volume
0.36619E+02 ppm1
2.645
ppm2
5.542

ASSI {29362}

((segid “BrD” and resid 44 and name HD1))

((segid “BrD” and resid 44 and name HA))

3.200
2.600
2.300 peak
29362
weight
0.11000E+01 volume
0.69346E+02 ppm1
4.310
ppm2
5.114

ASSI {29422}

((segid “BrD” and resid 91 and name HB1))

((segid “BrD” and resid 91 and name HD2))

2.600
1.700
1.700 peak
29422
weight
0.11000E+01 volume
0.26299E+03 ppm1
2.978
ppm2
4.407

ASSI {29432}

((segid “BrD” and resid 91 and name HB2))

((segid “BrD” and resid 91 and name HD2))

2.800
2.000
2.000 peak
29432
weight
0.11000E+01 volume
0.15191E+03 ppm1
2.730
ppm2
4.407

ASSI {29492}

((segid “BrD” and resid 79 and name HG1))

((segid “BrD” and resid 76 and name HA))

2.400
1.400
1.400 peak
29492
weight
0.11000E+01 volume
0.46894E+03 ppm1
3.033
ppm2
4.680

ASSI {29612}

((segid “BrD” and resid 70 and name HA))

(segid “BrD” and resid 70 and name HG1 %)

4.000
4.000
1.500 peak
29612
weight
0.11000E+01 volume
0.20014E+02 ppm1
5.346
ppm2
1.547

ASSI {29932}

((segid “BrD” and resid 66 and name HB2))

((segid “BrD” and resid 66 and name HD2))

2.700
1.800
1.800 peak
29932
weight
0.11000E+01 volume
0.20564E+03 ppm1
2.641
ppm2
3.633

ASSI {29942}

((segid “BrD” and resid 66 and name HB1))

((segid “BrD” and resid 66 and name HD2))

2.600
1.700
1.700 peak
29942
weight
0.11000E+01 volume
0.23040E+03 ppm1
2.701
ppm2
3.636

ASSI {29952}

((segid “BrD” and resid 66 and name HB2))

((segid “BrD” and resid 66 and name HD1))

2.600
1.700
1.700 peak
29952
weight
0.11000E+01 volume
0.23393E+03 ppm1
2.633
ppm2
3.670

ASSI {29962}

((segid “BrD” and resid 66 and name HB1))

((segid “BrD” and resid 66 and name HD1))

2.700
1.800
1.800 peak
29962
weight
0.11000E+01 volume
0.22124E+03 ppm1
2.701
ppm2
3.669

ASSI {30032}

((segid “BrD” and resid 51 and name HA))

((segid “BrD” and resid 52 and name HA))

4.100
4.100
1.400 peak
30032
weight
0.11000E+01 volume
0.17278E+02 ppm1
4.459
ppm2
5.505

ASSI {30052}

((segid “BrD” and resid 86 and name HD1))

((segid “BrD” and resid 86 and name HA))

3.500
3.100
2.000 peak
30052
weight
0.11000E+01 volume
0.45207E+02 ppm1
1.895
ppm2
4.810

ASSI {30162}

((segid “BrD” and resid 64 and name HA))

(segid “BrD” and resid 15 and name HE %)

2.400
1.400
1.400 peak
30162
weight
0.11000E+01 volume
0.39656E+03 ppm1
4.950
ppm2
7.405

ASSI {30202}

(segid “BrD” and resid 64 and name HE1 %)

((segid “BrD” and resid 64 and name HA))

2.300
1.300
1.300 peak
30202
weight
0.11000E+01 volume
0.49260E+03 ppm1
3.597
ppm2
4.939

ASSI {30342}

((segid “BrD” and resid 86 and name HB1))

(segid “BrD” and resid 96 and name HD %)

2.700
1.800
1.800 peak
30342
weight
0.11000E+01 volume
0.18798E+03 ppm1
2.337
ppm2
7.722

ASSI {30352}

((segid “BrD” and resid 86 and name HB1))

(segid “BrD” and resid 96 and name HE %)

2.700
1.800
1.800 peak
30352
weight
0.1100E+01 volume
0.21345E+03 ppm1
2.338
ppm2
7.603

ASSI {30392}

((segid “BrD” and resid 86 and name HE1))

((segid “BrD” and resid 86 and name HA))

3.100
2.400
2.400 peak
30392
weight
0.11000E+01 volume
0.90505E+02 ppm1
3.080
ppm2
4.808

ASSI {30402}

((segid “BrD” and resid 86 and name HE1))

((segid “BrD” and resid 86 and name HB1))

2.200
1.200
1.200 peak
30402
weight
0.11000E+01 volume
0.64111E+03 ppm1
3.079
ppm2
2.370

ASSI {30412}

((segid “BrD” and resid 86 and name HE1))

((segid “BrD” and resid 86 and name HG1))

2.900
2.100
2.100 peak
30412
weight
0.11000E+01 volume
0.14017E+03 ppm1
3.079
ppm2
1.896

ASSI {30512}

((segid “BrD” and resid 109 and name HE1))

((segid “BrD” and resid 109 and name HA))

2.900
2.100
2.100 peak
30512
weight
0.11000E+01 volume
0.12187E+03 ppm1
3.176
ppm2
4.639

ASSI {30522}

((segid “BrD” and resid 109 and name HD1))

((segid “BrD” and resid 109 and name HA))

1.900
0.900
0.900 peak
30522
weight
0.11000E+01 volume
0.17943E+04 ppm1
1.994
ppm2
4.639

ASSI {30622}

((segid “BrD” and resid 109 and name HB2))

((segid “BrD” and resid 106 and name HA))

2.400
1.400
1.400 peak
30622
weight
0.11000E+01 volume
0.44758E+03 ppm1
2.334
ppm2
4.575

ASSI {30632}

((segid “BrD” and resid 109 and name HB2))

((segid “BrD” and resid 106 and name HA))

2.700
1.800
1.800 peak
30632
weight
0.11000E+01 volume
0.21060E+03 ppm1
2.339 pm2
4.573

ASSI {30732}

((segid “BrD” and resid 97 and name HG2))

((segid “BrD” and resid 97 and name HA))

2.400
1.400
1.400 peak
30732
weight
0.11000E+01 volume
0.42305E+03 ppm1
2.143
ppm2
4.800

ASSI {30802}

((segid “BrD” and resid 104 and name HD1))

((segid “BrD” and resid 104 and name HA))

1.700
0.700
0.700 peak
30802
weight
0.11000E+01 volume
0.32351E+04 ppm1
2.289
ppm2
4.671

ASSI {30862}

((segid “BrD” and resid 111 and name HG1))

((segid “BrD” and resid 111 and name HA))

2.000
1.600
1.600 peak
30862
weight
0.11000E+01 volume
0.32568E+03 ppm1
2.000
ppm2
4.670

ASSI {30872}

((segid “BrD” and resid 111 and name HD1))

((segid “BrD” and resid 111 and name HA))

2.500
1.600
1.600 peak
30872
weight
0.11000E+01 volume
0.34175E+03 ppm1
2.240
ppm2
4.656

ASSI {30912}

((segid “BrD” and resid 111 and name HE1))

((segid “BrD” and resid 111 and name HA))

2.200
1.200
1.200 peak
30912
weight
0.11000E+01 volume
0.72636E+03 ppm1
3.520
ppm2
4.656

ASSI {31022}

((segid “BrD” and resid 72 and name HD1))

((segid “BrD” and resid 72 and name HE2))

2.200
1.200
1.200 peak
31022
weight
0.11000E+01 volume
0.72521E+03 ppm1
2.287
ppm2
3.654

ASSI {31032}

((segid “BrD” and resid 72 and name HD1))

((segid “BrD” and resid 72 and name HE1))

2.300
1.300
1.300 peak
31032
weight
0.11000E+01 volume
0.50216E+03 ppm1
2.267
ppm2
3.744

ASSI {31042}

((segid “BrD” and resid 72 and name HB1))

((segid “BrD” and resid 72 and name HE1))

2.200
1.200
1.200 peak
31042
weight
0.11000E+01 volume
0.79378E+03 ppm1
2.387
ppm2
3.744

ASSI {31052}

((segid “BrD” and resid 72 and name HB1))

((segid “BrD” and resid 72 and name HE2))

1.900
0.900
0.900 peak
31052
weight
0.11000E+01 volume
0.15518E+04 ppm1
2.386
ppm2
3.652

ASSI {1632}

(segid “BrD” and resid 110 and name HD1 %)

((segid “BrD” and resid 78 and name HB1))

2.100
2.100
2.400 peak
1632
weight
0.10000E+01 volume
0.10163E+04 ppm1
1.154
ppm2
1.309

ASSI {4042}

((segid “BrD” and resid 79 and name HG1))

((segid “BrD” and resid 80 and name HG1))

3.700
3.400
1.800 peak
4042
weight
0.10000E+01 volume
0.30439E+02 ppm1
3.029
ppm2
2.351

ASSI {4882}

((segid “BrD” and resid 19 and name HD1))

(segid “BrD” and resid 63 and name HD2 %)

2.700
1.800
1.800 peak
4882
weight
0.10000E+01 volume
0.22363E+03 ppm1
2.191
ppm2
1.495

ASSI {4902}

((segid “BrD” and resid 97 and name HB1))

(segid “BrD” and resid 101 and name HD1 %)

3.000
2.200
2.200 peak
4902
weight
0.10000E+01 volume
0.10809E+03 ppm1
2.683
ppm2
1.580

ASSI {4992}

((segid “BrD” and resid 37 and name HG2))

((segid “BrD” and resid 55 and name HA))

4.200
4.200
1.300 peak
4992
weight
0.10000E+01 volume
0.14817E+02 ppm1
2.586
ppm2
5.380

ASSI {6092}

((segid “BrD” and resid 115 and name HG))

(segid “BrD” and resid 110 and name HG2 %)

3.700
3.400
1.800 peak
6092
weight
0.10000E+01 volume
0.29496E+02 ppm1
2.140
ppm2
1.222

ASSI {6222}

(segid “BrD” and resid 22 and name HD2 %)

(segid “BrD” and resid 56 and name HD2 %)

2.300
1.300
1.300 peak
6272
weight
0.10000E+01 volume
0.52799E+03 ppm1
1.599
ppm2
1.246

ASSI {6602}

(segid “BrD” and resid 31 and name HB %)

(segid “BrD” and resid 56 and name HD1 %)

2.500
1.600
1.600 peak
6602
weight
0.10000E+01 volume
0.34161E+03 ppm1
2.291
ppm2
1.539

ASSI {6792}

(segid “BrD” and resid 99 and name HB %)

((segid “BrD” and resid 82 and name HA))

3.000
2.200
2.200 peak
6792
weight
0.10000E+01 volume
0.12038E+03 ppm1
2.190
ppm2
4.752

ASSI {6832}

(segid “BrD” and resid 99 and name HB %)

((segid “BrD” and resid 86 and name HG2))

3.000
2.200
2.200 peak
6832
weight
0.10000E+01 volume
0.11935E+03 ppm1
2.191
ppm2
0.765

ASSI {6852}

(segid “BrD” and resid 113 and name HB %)

(segid “BrD” and resid 110 and name HG2 %)

2.800
2.000
2.000 peak
6852
weight
0.10000E+01 volume
0.15622E+03 ppm1
1.991
ppm2
1.221

ASSI {6862}

(segid “BrD” and resid 113 and name HB %)

(segid “BrD” and resid 18 and name HD1 %)

4.900
4.900
0.600 peak
6862
weight
0.10000E+01 volume
0.56980E+01 ppm1
1.991
ppm2
1.066

ASSI {6902}

((segid “BrD” and resid 31 and name HA))

((segid “BrD” and resid 33 and name HD1))

3.300
2.700
2.200 peak
6902
weight
0.10000E+01 volume
0.60152E+02 ppm1
5.000
ppm2
2.794

ASSI {6952}

(segid “BrD” and resid 25 and name HG2 %)

(segid “BrD” and resid 31 and name HB %)

2.500
1.600
1.600 peak
6952
weight
0.10000E+01 volume
0.32952E+03 ppm1
1.650
ppm2
2.320

ASSI {6982}

(segid “BrD” and resid 25 and name HG2 %)

(segid “BrD” and resid 56 and name HD2 %)

2.500
1.600
1.600 peak
6982
weight
0.10000E+01 volume
0.36117E+03 ppm1
1.646
ppm2
1.252

ASSI {7362}

(segid “BrD” and resid 25 and name HG2 %)

((segid “BrD” and resid 102 and name HG))

2.900
2.100
2.100 peak
7362
weight
0.10000E+01 volume
0.13044E+03 ppm1
1.647
ppm2
2.157

ASSI {7412}

((segid “BrD” and resid 46 and name HA))

(segid “BrD” and resid 49 and name HG1 %)

3.400
2.900
2.100 peak
7412
weight
0.10000E+01 volume
0.55913E+02 ppm1
4.164
ppm2
1.645

ASSI {7422}

((segid “BrD” and resid 46 and name HA))

(segid “BrD” and resid 43 and name HB %)

3.600
3.200
1.900 peak
7422
weight
0.10000E+01 volume
0.39252E+02 ppm1
4.164
ppm2
1.710

ASSI {7442}

((segid “BrD” and resid 68 and name HA))

(segid “BrD” and resid 63 and name HD1 %)

3.700
3.400
1.000 peak
7442
weight
0.10000E+01 volume
0.32100E+02 ppm1
5.146
ppm2
1.653

ASSI {7462}

((segid “BrD” and resid 68 and name HB2))

(segid “BrD” and resid 10 and name HD1 %)

3.100
2.400
2.400 peak
7462
weight
0.10000E+01 volume
0.95501E+02 ppm1
3.522
ppm2
1.083

ASSI {7472}

((segid “BrD” and resid 68 and name HB1))

(segid “BrD” and resid 10 and name HD1 %)

3.100
2.400
2.400 peak
7472
weight
0.10000E+01 volume
0.06786E+02 ppm1
3.669
ppm2
1.084

ASSI {8082}

((segid “BrD” and resid 98 and name HA))

((segid “BrD” and resid 30 and name HB2))

2.900
2.100
2.100 peak
8082
weight
0.10000E+01 volume
0.14301E+03 ppm1
4.803
ppm2
4.530

ASSI {8132}

(segid “BrD” and resid 63 and name HD1 %)

((segid “BrD” and resid 15 and name HA))

2.800
2.000
2.000 peak
8132
weight
0.10000E+01 volume
0.17717E+03 ppm1
1.646
ppm2
4.624

ASSI {8252}

((segid “BrD” and resid 109 and name HG1))

((segid “BrD” and resid 109 and name HD1))

2.700
1.500
1.600 peak
8252
weight
0.10000E+01 volume
0.20695E+03 ppm1
1.401
ppm2
1.989

ASSI {8282}

((segid “BrD” and resid 16 and name HA))

((segid “BrD” and resid 21 and name HG12))

3.300
2.700
2.200 peak
8282
weight
0.10000E+01 volume
0.61204E+02 ppm1
3.866
ppm2
1.640

ASSI {8362}

((segid “BrD” and resid 18 and name HG))

(segid “BrD” and resid 14 and name HD2 %)

3.100
2.400
2.400 peak
8362
weight
0.10000E+01 volume
0.89516E+02 ppm1
2.290
ppm2
1.415

OR {8362}

((segid “BrD” and resid 18 and name HG))

(segid “BrD” and resid 14 and name HD1 %)

ASSI {8422}

(segid “BrD” and resid 18 and name HD1 %)

((segid “BrD” and resid 14 and name HG))

2.700
1.800
1.800 peak
8422
weight
0.10000E+01 volume
0.21908E+02 ppm1
1.052
ppm2
2.070

ASSI {8432}

(segid “BrD” and resid 18 and name HD1 %)

((segid “BrD” and resid 15 and name HA))

2.700
1.800
1.800 peak
8432
weight
0.10000E+01 volume
0.20923E+03 ppm1
1.057
ppm2
4.626

ASSI {8512}

(segid “BrD” and resid 22 and name HD2 %)

(segid “BrD” and resid 78 and name HD2 %)

3.300
2.700
2.200 peak
8512
weight
0.10000E+01 volume
0.62220E+02 ppm1
1.599
ppm2
0.677

ASSI {8522}

(segid “BrD” and resid 22 and name HD2 %)

(segid “BrD” and resid 59 and name HE %)

2.900
2.100
2.100 peak
8522
weight
0.10000E+01 volume
0.12491E+03 ppm1
1.599
ppm2
1.871

ASSI {8532}

(segid “BrD” and resid 22 and name HD1 %)

((segid “BrD” and resid 60 and name HA))

2.600
1.700
1.700 peak
8532
weight
0.10000E+01 volume
0.23265E+03 ppm1
1.645
ppm2
4.809

ASSI {8582}

((segid “BrD” and resid 22 and name HB2))

(segid “BrD” and resid 63 and name HD2 %)

2.600
1.700
1.700 peak
8582
weight
0.10000E+01 volume
0.24738E+03 ppm1
2.286
ppm2
1.494

ASSI {8612}

((segid “BrD” and resid 56 and name HB1))

((segid “BrD” and resid 35 and name HA))

2.600
2.000
2.000 peak
8612
weight
0.10000E+01 volume
0.17130E+03 ppm1
2.685
ppm2
4.900

ASSI {8632}

(segid “BrD” and resid 56 and name HD1 %)

(segid “BrD” and resid 81 and name HG2 %)

3.800
3.600
1.700 peak
8632
weight
0.10000E+01 volume
0.24706E+02 ppm1
1.547
ppm2
0.758

ASSI {8642}

((segid “BrD” and resid 116 and name HG12))

((segid “BrD” and resid 116 and name HG11))

2.000
1.000
1.000 peak
8642
weight
0.10000E+01 volume
0.13013E+04 ppm1
1.540
ppm2
1.921

ASSI {8702}

(segid “BrD” and resid 56 and name HD2 %)

(segid “BrD” and resid 81 and name HG1 %)

2.400
1.400
1.400 peak
8702
weight
0.10000E+01 volume
0.46717E+03 ppm1
1.254
ppm2
1.080

ASSI {8832}

(segid “BrD” and resid 78 and name HD1 %)

((segid “BrD” and resid 18 and name HB2))

4.100
4.100
1.400 peak
8832
weight
0.10000E+01 volume
0.15698E+02 ppm1
0.761
ppm2
0.924

ASSI {8862}

(segid “BrD” and resid 76 and name HD2 %)

(segid “BrD” and resid 18 and name HD2 %)

3.000
2.200
2.200 peak
8862
weight
0.10000E+01 volume
0.10893E+03 ppm1
0.662
ppm2
0.427

ASSI {8942}

((segid “BrD” and resid 102 and name HA))

(segid “BrD” and resid 101 and name HG2 %)

3.100
2.400
2.400 peak
8942
weight
0.10000E+01 volume
0.83720E+02 ppm1
4.263
ppm2
1.612

ASSI {9102}

((segid “BrD” and resid 21 and name HG12))

(segid “BrD” and resid 102 and name HD2 %)

3.700
3.400
1.800 peak
9102
weight
0.10000E+01 volume
0.31128E+02 ppm1
1.648
ppm2
1.320

OR {9102}

(segid “BrD” and resid 21 and name HG2 %)

(segid “BrD” and resid 102 and name HD1 %)

ASSI {9122}

(segid “BrD” and resid 21 and name HG2 %)

(segid “BrD” and resid 110 and name HD1 %)

2.900
3.100
2.100 peak
9122
weight
0.10000E+01 volume
0.12723E+03 ppm1
1.600
ppm2
1.143

ASSI {9132}

(segid “BrD” and resid 21 and name HG2 %)

(segid “BrD” and resid 78 and name HD2 %)

3.400
2.900
2.100 peak
9132
weight
0.10000E+01 volume
0.52384E+02 ppm1
1.596
ppm2
0.670

ASSI {9172}

(segid “BrD” and resid 21 and name HD1 %)

(segid “BrD” and resid 17 and name HG2 %)

2.500
1.600
1.600 peak
9172
weight
0.10000E+01 volume
0.33280E+03 ppm1
1.205
ppm2
1.748

ASSI {9402}

(segid “BrD” and resid 21 and name HG2 %)

((segid “BrD” and resid 106 and name HA))

2.600
1.700
1.700 peak
9402
weight
0.10000E+01 volume
0.25016E+03 ppm1
1.597
ppm2
4.536

ASSI {9412}

(segid “BrD” and resid 101 and name HG2 %)

((segid “BrD” and resid 30 and name HB1))

2.800
2.000
2.000 peak
5412
weight
0.10000E+01 volume
0.17182E+03 ppm1
1.598
ppm2
4.928

ASSI {9462}

((segid “BrD” and resid 110 and name HB))

((segid “BrD” and resid 115 and name HB1))

3.000
2.200
2.200 peak
9462
weight
0.10000E+01 volume
0.11040E+03 ppm1
3.338
ppm2
2.182

ASSI {9502}

(segid “BrD” and resid 110 and name HG2 %)

((segid “BrD” and resid 115 and name HB1))

2.500
1.600
1.600 peak
9502
weight
0.10000E+01 volume
0.34762E+03 ppm1
1.252
ppm2
2.182

ASSI {9512}

(segid “BrD” and resid 110 and name HG2 %)

((segid “BrD” and resid 116 and name HG12))

2.500
1.600
1.600 peak
9512
weight
0.10000E+01 volume
0.33973E+03 ppm1
1.253
ppm2
1.586

ASSI {9572}

(segid “BrD” and resid 110 and name HD1 %)

(segid “BrD” and resid 78 and name HD1 %)

3.800
3.600
1.700 peak
9572
weight
0.10000E+01 volume
0.27664E+02 ppm1
1.154
ppm2
0.750

ASSI {9602}

(segid “BrD” and resid 110 and name HD1 %)

(segid “BrD” and resid 78 and name HD2 %)

3.400
2.900
2.100 peak
9602
weight
0.10000E+01 volume
0.49420E+02 ppm1
1.154
ppm2
0.676

ASSI {9622}

(segid “BrD” and resid 116 and name HG2 %)

(segid “BrD” and resid 110 and name HG2 %)

2.800
2.000
2.000 peak
9622
weight
0.10000E+01 volume
0.18357E+03 ppm1
1.401
ppm2
1.271

ASSI {9632}

(segid “BrD” and resid 116 and name HD1 %)

(segid “BrD” and resid 110 and name HD1 %)

2.100
1.100
1.100 peak
9632
weight
0.10000E+01 volume
0.89032E+03 ppm1
1.399
ppm2
1.152

ASSI {9992}

((segid “BrD” and resid 54 and name HB2))

((segid “BrD” and resid 59 and name HB2))

2.700
1.800
1.800 peak
9992
weight
0.10000E+01 volume
0.19570E+03 ppm1
1.947
ppm2
2.490

ASSI {10032}

((segid “BrD” and resid 54 and name HA))

((segid “BrD” and resid 59 and name HB2))

3.000
2.200
2.200 peak
10032
weight
0.10000E+01 volume
0.99741E+02 ppm1
5.541
ppm2
2.401

ASSI {10142}

((segid “BrD” and resid 70 and name HB2))

((segid “BrD” and resid 73 and name HB1))

4.100
4.100
1.400 peak
10142
weight
0.10000E+01 volume
0.17505E+02 ppm1
4.360
ppm2
2.597

ASSI {10172}

((segid “BrD” and resid 52 and name HB2))

((segid “BrD” and resid 80 and name HG1))

4.200
4.200
1.300 peak
10172
weight
0.10000E+01 volume
0.15368E+02 ppm1
3.522
ppm2
2.345

ASSI {10512}

((segid “BrD” and resid 61 and name HG1))

((segid “BrD” and resid 60 and name HB2))

2.700
1.800
1.800 peak
10512
weight
0.10000E+01 volume
0.19616E+03 ppm1
2.980
ppm2
4.588

ASSI {10832}

((segid “BrD” and resid 30 and name HB1))

(segid “BrD” and resid 102 and name HD1 %)

3.600
3.200
1.900 peak
10632
weight
0.10000E+01 volume
0.34957E+02 ppm1
4.907
ppm2
1.329

ASSI {10842}

((segid “BrD” and resid 30 and name HB2))

(segid “BrD” and resid 102 and name HD1 %)

3.200
2.600
2.300 peak
10842
weight
0.10000E+01 volume
0.80809E+02 ppm1
4.510
ppm2
1.320

ASSI {10912}

((segid “BrD” and resid 93 and name HB1))

((segid “BrD” and resid 91 and name HG1))

3.700
3.400
1.800 peak
10912
weight
0.10000E+01 volume
0.12594E+02 ppm1
5.000
ppm2
2.798

ASSI {10922}

((segid “BrD” and resid 93 and name HB2))

((segid “BrD” and resid 91 and name HG1))

3.700
3.400
1.800 peak
10922
weight
0.10000E+01 volume
0.31695E+02 ppm1
4.755
ppm2
2.799

ASSI {10962}

((segid “BrD” and resid 44 and name HA))

((segid “BrD” and resid 41 and name HA))

4.600
4.600
0.900 peak
10962
weight
0.10000E+01 volume
0.78869E+01 ppm1
5.099
ppm2
4.654

ASSI {11342}

((segid “BrD” and resid 19 and name HG1))

(segid “BrD” and resid 63 and name HD2 %)

3.100
2.400
2.400 peak
11342
weight
0.10000E+01 volume
0.91996E+02 ppm1
1.889
ppm2
1.493

ASSI {11372}

((segid “BrD” and resid 26 and name HA))

(segid “BrD” and resid 31 and name HB %)

2.200
1.200
1.200 peak
11372
weight
0.10000E+01 volume
0.67300E+03 ppm1
4.509
ppm2
2.311

ASSI {11382}

((segid “BrD” and resid 26 and name HA))

(segid “BrD” and resid 35 and name HE %)

2.400
2.000
2.000 peak
11382
weight
0.10000E+01 volume
0.18352E+03 ppm1
4.509
ppm2
2.783

ASSI {11502}

((segid “BrD” and resid 86 and name HE1))

((segid “BrD” and resid 83 and name HA))

2.900
2.100
2.100 peak
11502
weight
0.10000E+01 volume
0.14787E+03 ppm1
3.080
ppm2
4.460

ASSI {11572}

((segid “BrD” and resid 109 and name HB1))

(segid “BrD” and resid 21 and name HG2 %)

3.500
3.100
2.000 peak
21572
weight
0.10000E+01 volume
0.46116E+02 ppm1
2.334
ppm2
2.587

ASSI {11642}

((segid “BrD” and resid 6 and name HB2))

((segid “BrD” and resid 7 and name HG1))

3.100
2.400
2.400 peak
11642
weight
0.10000E+01 volume
0.90515E+02 ppm1
2.291
ppm2
2.876

ASSI {11752}

((segid “BrD” and resid 55 and name HB1))

((segid “BrD” and resid 37 and name HA))

2.800
2.000
2.000 peak
11752
weight
0.10000E+01 volume
0.16032E+03 ppm1
2.979
ppm2
4.860

ASSI {11832}

((segid “BrD” and resid 91 and name HA))

((segid “BrD” and resid 92 and name HB2))

3.500
3.100
2.000 peak
11832
weight
0.10000E+01 volume
0.43713E+02 ppm1
5.347
ppm2
2.571

ASSI {12292}

(segid “BrD” and resid 81 and name HG2 %)

((segid “BrD” and resid 56 and name HG))

3.300
2.700
2.200 peak
12292
weight
0.10000E+01 volume
0.58134E+02 ppm1
0.761
ppm2
2.323

ASSI {12502}

((segid “BrD” and resid 54 and name HG1))

((segid “BrD” and resid 59 and name HB2))

4.000
4.000
1.500 peak
12502
weight
0.10000E+01 volume
0.18992E+02 ppm1
3.288
ppm2
2.467

ASSI {12632}

(segid “BrD” and resid 59 and name HE %)

((segid “BrD” and resid 77 and name HB1))

2.500
1.600
1.600 peak
12632
weight
0.10000E+01 volume
0.30644E+03 ppm1
1.848
ppm2
3.321

ASSI {12732}

((segid “BrD” and resid 71 and name HA))

(segid “BrD” and resid 18 and name HD1 %)

3.700
3.400
1.800 peak
12732
weight
0.10000E+01 volume
0.29522E+02 ppm1
4.608
ppm2
1.084

ASSI {12752}

((segid “BrD” and resid 71 and name HA))

(segid “BrD” and resid 18 and name HD2 %)

3.300
2.700
2.200 peak
12752
weight
0.10000E+01 volume
0.66213E+02 ppm1
4.607
ppm2
0.403

ASSI {12872}

((segid “BrD” and resid 62 and name HD1))

((segid “BrD” and resid 59 and name HB2))

3.500
3.100
2.000 peak
12872
weight
0.10000E+01 volume
0.44554E+02 ppm1
3.177
ppm2
2.484

ASSI {13092}

((segid “BrD” and resid 54 and name HD1))

(segid “BrD” and resid 81 and name HD1 %)

3.400
2.900
2.100 peak
13092
weight
0.10000E+01 volume
0.51686E+02 ppm1
3.288
ppm2
1.075

ASSI {13112}

((segid “BrD” and resid 73 and name HB2))

((segid “BrD” and resid 68 and name HA))

3.000
2.200
2.200 peak
13112
weight
0.10000E+01 volume
0.10760E+03 ppm1
2.486
ppm2
5.142

ASSI {13122}

((segid “BrD” and resid 73 and name HB1))

((segid “BrD” and resid 68 and name HA))

2.900
2.100
2.100 peak
13122
weight
0.10000E+01 volume
0.13268E+03 ppm1
2.583
ppm2
5.141

ASSI {13232}

((segid “BrD” and resid 46 and name HB1))

(segid “BrD” and resid 38 and name HG2 %)

3.500
3.100
2.000 peak
13232
weight
0.10000E+01 volume
0.45934E+02 ppm1
3.275
ppm2
0.790

ASSI {13282}

((segid “BrD” and resid 56 and name HA)

(segid “BrD” and resid 22 and name HD2 %)

3.200
2.400
2.400 peak
13282
weight
0.10000E+01 volume
0.86016E+02 ppm1
4.607
ppm2
1.637

OR {13282}

((segid “BrD” and resid 56 and name HA))

(segid “BrD” and resid 22 and name HD1 %)

ASSI {13$$}

((segid “BrD” and resid 116 and name HG12))

(segid “BrD” and resid 110 and name HD1 %)

2.700
1.800
1.800 peak
13312
weight
0.10000E+01 volume
0.18778E+03 ppm1
1.548
ppm2
1.145

ASSI {13332}

(segid “BrD” and resid $$ and name HD1 %)

((segid “BrD” and resid 43 and name HB2))

2.500
1.400
1.400 peak
13332
weight
0.10000E+01 volume
0.34390E+03 ppm1
1.648
ppm2
2.516

ASSI {13412}

(segid “BrD” and resid 25 and name HG1 %)

(segid “BrD” and resid 56 and name HD2 %)

2.900
2.100
2.100 peak
13412
weight
0.10000E+01 volume
0.12726E+03 ppm1
1.795
ppm2
1.252

ASSI {13572}

((segid “BrD” and resid 49 and name HB))

((segid “BrD” and resid 50 and name HG11))

5.500
5.500
0.000 peak
13572
weight
0.10000E+01 volume
0.27123E+01 ppm1
2.634
ppm2
1.417

ASSI {13582}

((segid “BrD” and resid 49 and name HB))

(segid “BrD” and resid 50 and name HD1 %)

4.000
4.000
1.500 peak
13582
weight
0.10000E+01 volume
0.18896E+02 ppm1
2.634
ppm2
1.148

ASSI {13682}

(segid “BrD” and resid 54 and name HE %)

((segid “BrD” and resid 57 and name HG1))

3.600
3.200
1.900 peak
13682
weight
0.10000E+01 volume
0.37432E+02 ppm1
2.537
ppm2
2.101

ASSI {13732}

((segid “BrD” and resid 63 and name HA))

((segid “BrD” and resid 68 and name HB1))

3.500
3.100
2.000 peak
13732
weight
0.10000E+01 volume
0.44471E+02 ppm1
5.296
ppm2
3.662

ASSI {13752}

(segid “BrD” and resid 63 and name HD2 %)

((segid “BrD” and resid 19 and name HB2))

2.700
1.800
2.800 peak
13752
weight
0.10000E+01 volume
0.20264E+03 ppm1
1.498
ppm2
1.996

ASSI {13772}

((segid “BrD” and resid 64 and name HA))

(segid “BrD” and resid 63 and name HD2 %)

4.000
4.000
1.500 peak
13772
weight
0.10000E+01 volume
0.18294E+02 ppm1
4.951
ppm2
1.488

ASSI {13792}

(segid “BrD” and resid 49 and name HG1 %)

(segid “BrD” and resid 50 and name HG2 %)

3.800
3.600
1.700 peak
13792
weight
0.10000E+01 volume
0.26015E+02 ppm1
1.646
ppm2
1.009

ASSI {13812}

((segid “BrD” and resid 76 and name HA))

((segid “BrD” and resid 80 and name HB2))

4.200
4.200
1.300 peak
13812
weight
0.10000E+01 volume
0.14558E+02 ppm1
4.656
ppm2
2.508

ASSI {13832}

((segid “BrD” and resid 56 and name HB1))

((segid “BrD” and resid 34 and name HB2))

3.100
2.400
2.400 peak
13832
weight
0.10000E+01 volume
0.92421E+02 ppm1
2.685
ppm2
3.159

ASSI {13842}

((segid “BrD” and resid 67 and name HB2))

((segid “BrD” and resid 62 and name HA))

3.400
2.900
2.100 peak
13842
weight
0.10000E+01 volume
0.56015E+02 ppm1
2.636
ppm2
4.483

ASSI {13862}

(segid “BrD” and resid 69 and name HG2 %)

(segid “BrD” and resid 18 and name HD1 %)

3.600
3.200
1.900 peak
13862
weight
0.10000E+01 volume
0.35688E+02 ppm1
1.425
ppm2
1.030

ASSI {13872}

(segid “BrD” and resid 69 and name HG2 %)

((segid “BrD” and resid 18 and name HB2))

5.500
5.500
0.000 peak
13872
weight
0.10000E+01 volume
0.14355E+01 ppm1
1.425
ppm2
0.880

ASSI {13892}

((segid “BrD” and resid 12 and name HA))

(segid “BrD” and resid 14 and name HD2 %)

3.000
2.200
2.200 peak
13892
weight
0.10000E+01 volume
0.11539E+03 ppm1
5.298
ppm2
1.382

OR {13892}

((segid “BrD” and resid 12 and name HA))

(segid “BrD” and resid 14 and name HD1 %)

ASSI {13982}

((segid “BrD” and resid 74 and name HA))

((segid “BrD” and resid 68 and name HB2))

3.600
3.200
1.900 peak
13982
weight
0.10000E+01 volume
0.36366E+02 ppm1
4.360
ppm2
3.499

ASSI {14032}

(segid “BrD” and resid 76 and name HB %)

((segid “BrD” and resid 80 and name HG1))

2.800
2.000
2.000 peak
14032
weight
0.10000E+01 volume
0.17944E+03 ppm1
2.091
ppm2
2.344

ASSI {14052}

(segid “BrD” and resid 14 and name HD1 %)

((segid “BrD” and resid 70 and name HA))

2.700
1.800
1.800 peak
14052
weight
0.10000E+01 volume
0.21486E+03 ppm1
1.402
ppm2
5.362

ASSI {14112}

((segid “BrD” and resid 14 and name HA))

(segid “BrD” and resid 113 and name HB %)

3.100
2.400
2.400 peak
14112
weight
0.10000E+01 volume
0.82177E+02 ppm1
4.655
ppm2
1.987

ASSI {14212}

((segid “BrD” and resid 98 and name HB2))

((segid “BrD” and resid 30 and name HB1))

3.700
3.400
1.800 peak
14212
weight
0.10000E+01 volume
0.32251E+02 ppm1
1.667
ppm2
4.933

ASSI {14222}

((segid “BrD” and resid 99 and name HA))

((segid “BrD” and resid 102 and name HG))

3.400
2.900
2.100 peak
14222
weight
0.10000E+01 volume
0.54061E+02 ppm1
4.459
ppm2
2.136

ASSI {14242}

((segid “BrD” and resid 99 and name HA))

((segid “BrD” and resid 82 and name HB2))

3.000
2.200
2.200 peak
14242
weight
0.10000E+01 volume
0.10335E+03 ppm1
4.457
ppm2
3.581

ASSI {14262}

((segid “BrD” and resid 31 and name HA))

((segid “BrD” and resid 33 and name HD2))

3.300
2.700
2.200 peak
14$$
weight
0.10000E+01 volume
0.413$$E+03 ppm1
6.000
ppm2
2.318

ASSI {14272}

(segid “BrD” and resid 31 and name HB %)

((segid “BrD” and resid 25 and name HA))

3.000
2.200
2.200 peak
14272
weight
0.10000E+01 volume
0.10586E+03 ppm1
2.289
ppm2
4.437

ASSI {14292}

((segid “BrD” and resid 110 and name HB))

(segid “BrD” and resid 115 and name HD1 %)

5.500
5.500
0.000 peak
14292
weight
0.10000E+01 volume
0.49615E+00 ppm1
2.338
ppm2
2.318

ASSI {14302}

(segid “BrD” and resid 63 and name HD2 %)

((segid “BrD” and resid 22 and name HB1))

2.500
1.600
1.600 peak
14302
weight
0.10000E+01 volume
0.30120E+03 ppm1
1.498
ppm2
2.695

ASSI {14332}

((segid “BrD” and resid 103 and name HA))

((segid “BrD” and resid 102 and name HB2))

3.500
3.100
2.000 peak
14332
weight
0.10000E+01 volume
0.41084E+02 ppm1
3.769
ppm2
1.830

ASSI {14352}

((segid “BrD” and resid 106 and name HA))

((segid “BrD” and resid 109 and name HG1))

4.000
4.000
1.500 peak
14352
weight
0.10000E+01 volume
0.19913E+02 ppm1
4.555
ppm2
1.435

ASSI {14382}

((segid “BrD” and resid 15 and name HA))

((segid “BrD” and resid 14 and name HG))

3.800
3.600
1.700 peak
14382
weight
0.10000E+01 volume
0.25435E+02 ppm1
4.606
ppm2
2.042

ASSI {14442}

((segid “BrD” and resid 110 and name HA))

((segid “BrD” and resid 115 and name HB1))

2.800
2.000
2.000 peak
14442
weight
0.10000E+01 volume
0.18018E+03 ppm1
4.411
ppm2
2.181

OR {14442}

((segid “BrD” and resid 110 and name HA))

((segid “BrD” and resid 115 and name HG))

ASSI {14452}

(segid “BrD” and resid 110 and name HG2 %)

(segid “BrD” and resid 115 and name HD1 %)

2.600
1.700
1.700 peak
14452
weight
0.10000E+01 volume
0.23487E+03 ppm1
1.254
ppm2
1.330

ASSI {14512}

((segid “BrD” and resid 111 and name HG1))

(segid “BrD” and resid 110 and name HG2 %)

3.600
3.200
1.900 peak
14512
weight
0.10000E+01 volume
0.36391E+02 ppm1
1.989
ppm2
1.278

ASSI {14652}

((segid “BrD” and resid 18 and name HA))

((segid “BrD” and resid 21 and name HG11))

3.700
3.400
1.800 peak
14652
weight
0.10000E+01 volume
0.30202E+02 ppm1
3.866
ppm2
2.351

ASSI {14672}

(segid “BrD” and resid 18 and name HD1 %)

((segid “BrD” and resid 63 and name HG))

3.100
2.400
2.400 peak
14672
weight
0.10000E+01 volume
0.91159E+02 ppm1
1.057
ppm2
2.467

ASSI {14702}

(segid “BrD” and resid 21 and name HD1 %)

(segid “BrD” and resid 63 and name HD2 %)

2.300
2.300
2.200 peak
14702
weight
0.10000E+01 volume
0.60922E+03 ppm1
1.205
ppm2
1.458

ASSI {14752}

(segid “BrD” and resid 54 and name HE %)

(segid “BrD” and resid 81 and name HG1 %)

3.700
3.400
1.800 peak
14752
weight
0.10000E+01 volume
0.28669E+02 ppm1
2.535
ppm2
1.075

ASSI {14762}

((segid “BrD” and resid 51 and name HA))

((segid “BrD” and resid 53 and name HD1))

5.500
5.500
0.000 peak
14762
weight
0.10000E+01 volume
0.89215E+01 ppm1
4.460
ppm2
4.222

ASSI {14782}

((segid “BrD” and resid 36 and name HA))

((segid “BrD” and resid 57 and name HB1))

2.300
1.300
1.300 peak
14782
weight
0.10000E+01 volume
0.60416E+03 ppm1
5.446
ppm2
2.986

ASSI {15012}

((segid “BrD” and resid 46 and name HB1))

(segid “BrD” and resid 38 and name HG1 %)

4.000
4.000
1.500 peak
15012
weight
0.10000E+01 volume
0.20055E+02 ppm1
3.275
ppm2
1.075

ASSI {15032}

((segid “BrD” and resid 46 and name HB1))

(segid “BrD” and resid 47 and name HD %)

4.500
4.500
1.000 peak
15032
weight
0.10000E+01 volume
0.96365E+01 ppm1
3.276
ppm2
7.934

ASSI {15042}

((segid “BrD” and resid 46 and name HB2))

(segid “BrD” and resid 47 and name HD %)

3.200
2.600
2.300 peak
15042
weight
0.10000E+01 volume
0.71990E+02 ppm1
3.077
ppm2
7.933

ASSI {15052}

((segid “BrD” and resid 46 and name HA))

(segid “BrD” and resid 49 and name HG2 %)

3.600
3.200
1.900 peak
15052
weight
0.10000E+01 volume
0.38868E+02 ppm1
4.165
ppm2
1.571

ASSI {15092}

((segid “BrD” and resid 28 and name HB2))

(segid “BrD” and resid 31 and name HB %)

2.800
2.000
2.000 peak
15092
weight
0.10000E+01 volume
0.15966E+03 ppm1
3.374
ppm2
2.312

ASSI {15182}

((segid “BrD” and resid 67 and name HB1))

((segid “BrD” and resid 62 and name HB2))

4.000
4.000
1.500 peak
15182
weight
0.10000E+01 volume
0.19603E+02 ppm1
3.572
ppm2
1.693

ASSI {15192}

((segid “BrD” and resid 67 and name HB1))

((segid “BrD” and resid 62 and name HG2))

4.400
4.400
1.100 peak
15192
weight
0.10000E+01 volume
0.11033E+02 ppm1
3.572
ppm2
1.474

ASSI {15402}

((segid “BrD” and resid 82 and name HB2))

(segid “BrD” and resid 99 and name HB %)

3.000
2.200
2.200 peak
15402
weight
0.10000E+01 volume
0.10651E+03 ppm1
3.572
ppm2
2.206

ASSI {15412}

((segid “BrD” and resid 82 and name HB1))

(segid “BrD” and resid 99 and name HB %)

2.900
2.100
2.100 peak
15412
weight
0.10000E+01 volume
0.12753E+03 ppm1
3.672
ppm2
2.206

ASSI {15552}

((segid “BrD” and resid 82 and name HB2))

((segid “BrD” and resid 103 and name HB2))

3.700
3.400
1.800 peak
15552
weight
0.10000E+01 volume
0.31328E+02 ppm1
3.573
ppm2
1.897

ASSI {15592}

((segid “BrD” and resid 107 and name HB1))

((segid “BrD” and resid 103 and name HG2))

3.100
2.400
2.400 peak
15592
weight
0.10000E+01 volume
0.86957E+02 ppm1
3.670
ppm2
2.540

ASSI {15712}

((segid “BrD” and resid 107 and name HB1))

(segid “BrD” and resid 107 and name HD %)

2.200
1.200
1.200 peak
15712
weight
0.10000E+01 volume
0.63746E+03 ppm1
3.673
ppm2
7.827

ASSI {15812}

((segid “BrD” and resid 15 and name HA))

((segid “BrD” and resid 18 and name HA))

3.300
2.700
2.200 peak
15812
weight
0.10000E+01 volume
0.67333E+02 ppm1
4.606
ppm2
3.900

ASSI {15882}

((segid “BrD” and resid 15 and name HB1))

(segid “BrD” and resid 63 and name HD1 %)

4.000
4.000
1.500 peak
15882
weight
0.10000E+01 volume
0.19033E+02 ppm1
3.815
ppm2
1.652

ASSI {15932}

((segid “BrD” and resid 82 and name HB1))

((segid “BrD” and resid 107 and name HZ))

2.600
1.700
1.700 peak
15932
weight
0.10000E+01 volume
0.26167E+03 ppm1
3.670
ppm2
8.022

ASSI {16052}

((segid “BrD” and resid 68 and name HA))

((segid “BrD” and resid 73 and name HG))

4.000
4.000
1.500 peak
16052
weight
0.10000E+01 volume
0.20921E+02 ppm1
5.148
ppm2
2.367

ASSI {16062}

((segid “BrD” and resid 68 and name HB2))

(segid “BrD” and resid 74 and name HD %)

3.600
3.200
1.900 peak
16062
weight
0.10000E+01 volume
0.38285E+02 ppm1
3.522
ppm2
6.998

ASSI {16112}

((segid “BrD” and resid 68 and name HB1))

((segid “BrD” and resid 62 and name HD1))

4.500
4.500
1.000 peak
16112
weight
0.10000E+01 volume
0.90000E+01 ppm1
3.669
ppm2
3.148

ASSI {16122}

((segid “BrD” and resid 68 and name HB2))

((segid “BrD” and resid 62 and name HD1))

3.500
3.100
2.000 peak
16122
weight
0.10000E+01 volume
0.43825E+02 ppm1
3.522
ppm2
3.149

ASSI {16132}

((segid “BrD” and resid 68 and name HB1))

((segid “BrD” and resid 63 and name HB1))

3.600
3.200
1.900 peak
16132
weight
0.10000E+01 volume
0.35724E+02 ppm1
3.669
ppm2
2.883

ASSI {16152}

((segid “BrD” and resid 68 and name HB2))

((segid “BrD” and resid 63 and name HB1))

3.500
3.100
2.000 peak
16152
weight
0.10000E+01 volume
0.44106E+02 ppm1
3.522
ppm2
2.884

ASSI {16162}

((segid “BrD” and resid 68 and name HB2))

((segid “BrD” and resid 62 and name HB1))

4.100
4.100
1.400 peak
16162
weight
0.10000E+01 volume
0.16622E+02 ppm1
3.522
ppm2
2.605

ASSI {16212}

((segid “BrD” and resid 88 and name HA))

(segid “BrD” and resid 49 and name HG2 %)

3.200
2.600
2.300 peak
16212
weight
0.10000E+01 volume
0.71276E+02 ppm1
4.999
ppm2
1.571

ASSI {16312}

((segid “BrD” and resid 88 and name HB1))

(segid “BrD” and resid 95 and name HD %)

3.500
3.100
2.000 peak
16312
weight
0.10000E+01 volume
0.47079E+02 ppm1
3.524
ppm2
7.496

ASSI {16382}

((segid “BrD” and resid 19 and name HE1))

(segid “BrD” and resid 63 and name HD2 %)

3.500
3.100
2.000 peak
16382
weight
0.10000E+01 volume
0.45471E+02 ppm1
3.522
ppm2
1.495

ASSI {16422}

((segid “BrD” and resid 66 and name HD2))

(segid “BrD” and resid 69 and name HG1 %)

4.900
4.900
0.600 peak
16422
weight
0.10000E+01 volume
0.59473E+01 ppm1
3.621
ppm2
1.562

ASSI {16432}

((segid “BrD” and resid 66 and name HD2))

(segid “BrD” and resid 63 and name HD1 %)

4.700
4.700
0.800 peak
16432
weight
0.10000E+01 volume
0.72449E+01 ppm1
3.620
ppm2
1.645

ASSI {16492}

((segid “BrD” and resid 96 and name HA))

((segid “BrD” and resid 86 and name HA))

2.200
1.200
1.200 peak
16492
weight
0.10000E+01 volume
0.78759E+03 ppm1
4.409
ppm2
4.802

ASSI {16502}

((segid “BrD” and resid 96 and name HA))

((segid “BrD” and resid 86 and name HG2))

4.100
4.100
1.400 peak
16502
weight
0.10000E+01 volume
0.17647E+02 ppm1
4.409
ppm2
0.75$$

ASSI {16612}

((segid “BrD” and resid 96 and name HB2))

(segid “BrD” and resid 96 and name HE %)

3.400
2.900
2.100 peak
16612
weight
0.10000E+01 volume
0.47985E+02 ppm1
3.134
ppm2
7.633

ASSI {16662}

((segid “BrD” and resid 96 and name HB1))

(segid “BrD” and resid 99 and name HB %)

4.200
4.200
1.300 peak
16662
weight
0.10000E+01 volume
0.14266E+02 ppm1
4.008
ppm2
2.227

ASSI {$$}

((segid “BrD” and resid 96 and name HB2))

(segid “BrD” and resid 99 and name HB %)

4.200
4.200
1.300 peak
16672
weight
0.10000E+01 volume
0.13986E+02 ppm1
3.125
ppm2
2.209

ASSI {16682}

((segid “BrD” and resid 52 and name HA))

((segid “BrD” and resid 53 and name HG1))

4.300
4.300
1.200 peak
16682
weight
0.10000E+01 volume
0.11894E+02 ppm1
5.589
ppm2
2.819

OR {16682}

((segid “BrD” and resid 52 and name HA))

((segid “BrD” and resid 53 and name HB1))

ASSI {16792}

((segid “BrD” and resid 95 and name HB2))

((segid “BrD” and resid 85 and name HA))

2.700
1.800
1.800 peak
16792
weight
0.10000E+01 volume
0.22870E+03 ppm1
3.375
ppm2
4.995

ASSI {16842}

((segid “BrD” and resid 15 and name HB2))

((segid “BrD” and resid 15 and name HA))

2.200
1.200
1.200 peak
16842
weight
0.10000E+01 volume
0.62256E+03 ppm1
1.677
ppm2
4.618

ASSI {16862}

((segid “BrD” and resid 106 and name HA))

(segid “BrD” and resid 82 and name HE %)

4.100
4.100
1.400 peak
16882
weight
0.10000E+01 volume
0.17840E+02 ppm1
4.557
ppm2
7.039

OR {16882}

((segid “BrD” and resid 106 and name HA))

((segid “BrD” and resid 82 and name HZ))

ASSI {16892}

((segid “BrD” and resid 106 and name HA))

(segid “BrD” and resid 106 and name HD %)

2.200
1.200
1.200 peak
16892
weight
0.10000E+01 volume
0.63095E+03 ppm1
4.556
ppm2
7.511

ASSI {16902}

((segid “BrD” and resid 106 and name HA))

(segid “BrD” and resid 106 and name HE %)

3.000
2.200
2.200 peak
16902
weight
0.10000E+01 volume
0.10621E+03 ppm1
4.558
ppm2
7.634

ASSI {16932}

((segid “BrD” and resid 57 and name HA))

((segid “BrD” and resid 36 and name HA))

5.500
5.500
0.000 peak
16932
weight
0.10000E+01 volume
0.15155E+01 ppm1
4.804
ppm2
5.444

ASSI {16972}

((segid “BrD” and resid 106 and name HB2))

(segid “BrD” and resid 82 and name HE %)

3.000
2.200
2.200 peak
16972
weight
0.10000E+01 volume
0.99455E+02 ppm1
3.676
ppm2
7.053

ASSI {17032}

((segid “BrD” and resid 62 and name HA))

((segid “BrD” and resid 67 and name HB1))

2.400
1.400
1.400 peak
17032
weight
0.10000E+01 volume
0.47084E+03 ppm1
4.462
ppm2
3.576

ASSI {17072}

((segid “BrD” and resid 95 and name HA))

((segid “BrD” and resid 32 and name HH2))

2.800
2.000
2.000 peak
17072
weight
0.10000E+01 volume
0.16966E+01 ppm1
4.462
ppm2
7.790

ASSI {17192}

((segid “BrD” and resid 20 and name HA))

((segid “BrD” and resid 23 and name HG2))

2.400
1.400
1.400 peak
17192
weight
0.10000E+01 volume
0.43323E+03 ppm1
4.903
ppm2
3.069

ASSI {17342}

((segid “BrD” and resid 97 and name HA))

(segid “BrD” and resid 96 and name HD %)

2.800
2.000
2.000 peak
17342
weight
0.10000E+01 volume
0.15398E+03 ppm1
4.807
ppm2
7.719

ASSI {17352}

((segid “BrD” and resid 34 and name HB2))

(segid “BrD” and resid 102 and name HD1 %)

3.900
3.800
1.600 peak
17352
weight
0.10000E+01 volume
0.22025E+02 ppm1
3.127
ppm2
1.319

OR {17352}

((segid “BrD” and resid 34 and name HB2))

(segid “BrD” and resid 102 and name HD2 %)

ASSI {17372}

((segid “BrD” and resid 34 and name HB1))

(segid “BrD” and resid 102 and name HD1 %)

4.300
4.300
1.200 peak
17372
weight
0.10000E+01 volume
0.12013E+02 ppm1
4.114
ppm2
1.317

OR {17372}

((segid “BrD” and resid 34 and name HB1))

(segid “BrD” and resid 102 and name HD2 %)

ASSI {17452}

((segid “BrD” and resid 34 and name HB2))

(segid “BrD” and resid 34 and name HE %)

3.800
3.600
1.700 peak
17452
weight
0.10000E+01 volume
0.24806E+02 ppm1
3.122
ppm2
7.774

ASSI {17502}

((segid “BrD” and resid 34 and name HA))

((segid “BrD” and resid 35 and name HA))

4.600
4.600
0.900 peak
17502
weight
0.10000E+01 volume
0.61169E+01 ppm1
5.544
ppm2
4.907

ASSI {17562}

(segid “BrD” and resid 81 and name HG2 %)

((segid “BrD” and resid 34 and name HZ))

3.500
3.100
2.000 peak
17562
weight
0.10000E+01 volume
0.45996E+02 ppm1
0.759
ppm2
7.903

ASSI {17572}

(segid “BrD” and resid 81 and name HG2 %)

(segid “BrD” and resid 34 and name HD %)

2.500
1.600
1.600 peak
17572
weight
0.10000E+01 volume
0.32265E+03 ppm1
0.761
ppm2
7.706

ASSI {17632}

(segid “BrD” and resid 81 and name HG2 %)

(segid “BrD” and resid 82 and name HD %)

2.300
1.300
1.300 peak
17632
weight
0.10000E+01 volume
0.40682E+03 ppm1
0.763
ppm2
7.263

ASSI {17642}

(segid “BrD” and resid 81 and name HG2 %)

(segid “BrD” and resid 82 and name HE %)

2.800
2.000
2.000 peak
17642
weight
0.10000E+01 volume
0.15950E+03 ppm1
0.760
ppm2
7.063

ASSI {17712}

((segid “BrD” and resid 33 and name HG1))

((segid “BrD” and resid 95 and name HA))

3.000
2.200
2.200 peak
17712
weight
0.10000E+01 volume
0.11633E+03 ppm1
0.859
ppm2
4.452

ASSI {17732}

((segid “BrD” and resid 33 and name HG1))

((segid “BrD” and resid 98 and name HB1))

3.400
2.900
2.100 peak
17732
weight
0.10000E+01 volume
0.51004E+02 ppm1
0.859
ppm2
4.020

ASSI {17742}

((segid “BrD” and resid 33 and name HG1))

((segid “BrD” and resid 98 and name HB2))

3.100
2.400
2.400 peak
17742
weight
0.10000E+01 volume
0.94735E+02 ppm1
0.859
ppm2
3.654

ASSI {17762}

((segid “BrD” and resid 33 and name HG2))

((segid “BrD” and resid 95 and name HA))

3.400
2.900
2.100 peak
17762
weight
0.10000E+01 volume
0.53516E+02 ppm1
−0.324
ppm2
4.444

ASSI {17782}

((segid “BrD” and resid 33 and name HD1))

(segid “BrD” and resid 31 and name HB %)

3.500
3.100
2.000 peak
17782
weight
0.10000E+01 volume
0.42246E+02 ppm1
2.782
ppm2
2.304

ASSI {17902}

((segid “BrD” and resid 33 and name HD2))

(segid “BrD” and resid 34 and name HD %)

3.900
3.800
1.600 peak
17902
weight
0.10000E+01 volume
0.21155E+02 ppm1
2.190
ppm2
7.707

ASSI {17952}

((segid “BrD” and resid 33 and name HB1))

((segid “BrD” and resid 95 and name HA))

3.800
3.600
1.700 peak
17952
weight
0.10000E+01 volume
0.26579E+02 ppm1
1.055
ppm2
4.443

ASSI {17962}

((segid “BrD” and resid 33 and name HB2))

((segid “BrD” and resid 95 and name HA))

3.900
3.800
1.600 peak
17962
weight
0.10000E+01 volume
0.22889E+02 ppm1
−0.176
ppm2
4.444

ASSI {17982}

((segid “BrD” and resid 33 and name HB2))

(segid “BrD” and resid 34 and name HD %)

3.700
3.400
1.800 peak
17982
weight
0.10000E+01 volume
0.30273E+02 ppm1
−0.174
ppm2
7.699

ASSI {18012}

((segid “BrD” and resid 75 and name HG1))

((segid “BrD” and resid 71 and name HA))

3.200
2.600
2.300 peak
18012
weight
0.10000E+01 volume
0.74474E+02 ppm1
3.524
ppm2
4.662

ASSI {18052}

((segid “BrD” and resid 59 and name HG1))

((segid “BrD” and resid 59 and name HB2))

2.600
1.700
1.700 peak
18052
weight
0.10000E+01 volume
0.28930E+03 ppm1
3.227
ppm2
2.482

OR {18052}

((segid “BrD” and resid 59 and name HG2))

((segid “BrD” and resid 59 and name HB2))

ASSI {18102}

((segid “BrD” and resid 75 and name HG2))

(segid “BrD” and resid 115 and name HD1 %)

4.400
4.400
1.100 peak
18102
weight
0.10000E+01 volume
0.10857E+02 ppm1
3.226
ppm2
1.327

ASSI {18112}

((segid “BrD” and resid 59 and name HG2))

(segid “BrD” and resid 22 and name HD1 %)

4.100
4.100
1.400 peak
18112
weight
0.10000E+01 volume
0.16621E+02 ppm1
3.226
ppm2
1.661

OR {18112}

((segid “BrD” and resid 59 and name HG1))

(segid “BrD” and resid 22 and name HD1 %)

ASSI {18122}

((segid “BrD” and resid 75 and name HG1))

((segid “BrD” and resid 115 and name HB1))

3.500
3.100
2.000 peak
14122
weight
0.10000E+01 volume
0.47142E+02 ppm1
3.522
ppm2
2.165

ASSI {18142}

((segid “BrD” and resid 75 and name HG1))

(segid “BrD” and resid 113 and name HB %)

3.900
3.800
1.600 peak
18142
weight
0.10000E+01 volume
0.23045E+02 ppm1
3.523
ppm2
1.996

ASSI {18282}

(segid “BrD” and resid 35 and name HE %)

((segid “BrD” and resid 60 and name HB1))

2.800
2.000
2.000 peak
18282
weight
0.10000E+01 volume
0.18338E+03 ppm1
2.782
ppm2
4.972

ASSI {18302}

(segid “BrD” and resid 35 and name HE %)

((segid “BrD” and resid 59 and name HG2))

3.400
2.900
2.100 peak
18302
weight
0.10000E+01 volume
0.50813E+02 ppm1
2.782
ppm2
3.248

OR {18302}

(segid “BrD” and resid 35 and name HE %)

((segid “BrD” and resid 59 and name HG1))

ASSI {18312}

(segid “BrD” and resid 35 and name HE %)

((segid “BrD” and resid 34 and name HB2))

3.000
2.200
2.200 peak
18312
weight
0.10000E+01 volume
0.11214E+03 ppm1
2.782
ppm2
3.101

ASSI {18352}

(segid “BrD” and resid 35 and name HE %)

(segid “BrD” and resid 56 and name HD1 %)

2.800
2.000
2.000 peak
18352
weight
0.10000E+01 volume
0.15609E+03 ppm1
2.782
ppm2
1.539

ASSI {18362}

(segid “BrD” and resid 35 and name HE %)

((segid “BrD” and resid 57 and name HB1))

2.400
1.400
1.400 peak
18362
weight
0.10000E+01 volume
0.43055E+03 ppm1
2.782
ppm2
2.938

ASSI {18382}

(segid “BrD” and resid 35 and name HE %)

((segid “BrD” and resid 26 and name HB1))

2.500
1.600
1.600 peak
18382
weight
0.10000E+01 volume
0.29206E+03 ppm1
2.781
ppm2
2.460

ASSI {18492}

((segid “BrD” and resid 59 and name HG1))

(segid “BrD” and resid 74 and name HE %)

5.000
5.000
0.500 peak
18492
weight
0.10000E+01 volume
0.50782E+01 ppm1
3.226
ppm2
7.552

OR {18492}

((segid “BrD” and resid 59 and name HG2))

(segid “BrD” and resid 74 and name HE %)

ASSI {18542}

(segid “BrD” and resid 75 and name HE %)

((segid “BrD” and resid 17 and name HB))

3.000
2.200
2.200 peak
18542
weight
0.10000E+01 volume
0.10304E+03 ppm1
2.634
ppm2
4.826

ASSI {18642}

(segid “BrD” and resid 75 and name HE %)

((segid “BrD” and resid 110 and name HA))

3.400
2.900
2.100 peak
18642
weight
0.10000E+01 volume
0.51911E+03 ppm1
2.634
ppm2
4.427

ASSI {18662}

(segid “BrD” and resid 75 and name HE %)

((segid “BrD” and resid 74 and name HB1))

2.900
2.100
2.100 peak
18662
weight
0.10000E+01 volume
0.13576E+03 ppm1
2.634
ppm2
3.597

ASSI {18682}

(segid “BrD” and resid 75 and name HE %)

((segid “BrD” and resid 74 and name HB2))

3.000
2.200
2.200 peak
18682
weight
0.10000E+01 volume
0.11929E+03 ppm1
2.634
ppm2
3.003

ASSI {18722}

(segid “BrD” and resid 75 and name HE %)

((segid “BrD” and resid 75 and name HB1))

3.700
3.400
1.800 peak
18722
weight
0.10000E+01 volume
0.33115E+02 ppm1
2.634
ppm2
2.906

ASSI {18732}

(segid “BrD” and resid 75 and name HE %)

((segid “BrD” and resid 75 and name HB2))

2.100
2.100
2.400 peak
18732
weight
0.10000E+01 volume
0.10446E+04 ppm1
2.634
ppm2
2.824

ASSI {18762}

(segid “BrD” and resid 75 and name HE %)

(segid “BrD” and resid 75 and name HD2 %)

4.900
4.900
0.600 peak
18762
weight
0.10000E+01 volume
0.60943E+01 ppm1
2.634
ppm2
0.676

ASSI {18772}

(segid “BrD” and resid 75 and name HE %)

(segid “BrD” and resid 14 and name HD1 %)

2.600
1.700
1.700 peak
18772
weight
0.10000E+01 volume
0.27797E+03 ppm1
2.634
ppm2
1.425

OR {18772}

(segid “BrD” and resid 75 and name HE %)

(segid “BrD” and resid 14 and name HD2 %)

ASSI {18782}

(segid “BrD” and resid 75 and name HE %)

(segid “BrD” and resid 115 and name HD1 %)

2.800
2.000
2.000 peak
18782
weight
0.10000E+01 volume
0.15408E+03 ppm1
2.634
ppm2
1.327

ASSI {18812}

(segid “BrD” and resid 75 and name HE %)

((segid “BrD” and resid 116 and name HG12))

3.600
3.200
1.900 peak
18812
weight
0.10000E+01 volume
0.36651E+02 ppm1
2.634
ppm2
1.547

ASSI {18862}

(segid “BrD” and resid 75 and name HE %)

((segid “BrD” and resid 116 and name HG11))

4.600
4.600
0.900 peak
18862
weight
0.10000E+01 volume
0.79723E+01 ppm1
2.635
ppm2
1.914

ASSI {18872}

(segid “BrD” and resid 75 and name HE %)

(segid “BrD” and resid 59 and name HE %)

3.500
3.100
2.000 peak
18872
weight
0.10000E+01 volume
0.40230E+02 ppm1
2.635
ppm2
1.865

ASSI {18882}

(segid “BrD” and resid 75 and name HE %)

(segid “BrD” and resid 113 and name HB %)

2.700
1.800
1.800 peak
18882
weight
0.10000E+01 volume
0.22570E+03 ppm1
2.634
ppm2
1.986

ASSI {18892}

(segid “BrD” and resid 75 and name HE %)

((segid “BrD” and resid 18 and name HG))

2.400
1.400
1.400 peak
18892
weight
0.10000E+01 volume
0.37764E+03 ppm1
2.636
ppm2
2.250

ASSI {18902}

(segid “BrD” and resid 75 and name HE %)

((segid “BrD” and resid 115 and name HB1))

2.400
1.600
1.600 peak
18902
weight
0.10000E+01 volume
0.35880E+03 ppm1
2.635
ppm2
2.199

ASSI {18932}

(segid “BrD” and resid 75 and name HE %)

((segid “BrD” and resid 14 and name HB1))

3.700
3.400
1.800 peak
18932
weight
0.10000E+01 volume
0.29255E+02 ppm1
2.636
ppm2
2.444

ASSI {18952}

((segid “BrD” and resid 57 and name HB2))

((segid “BrD” and resid 37 and name HD1))

3.200
2.600
2.300 peak
18952
weight
0.10000E+01 volume
0.68763E+02 ppm1
2.847
ppm2
4.289

ASSI {18992}

((segid “BrD” and resid 57 and name HB2))

((segid “BrD” and resid 36 and name HA))

3.700
3.400
1.800 peak
18992
weight
0.10000E+01 volume
0.28694E+02 ppm1
2.842
ppm2
5.444

ASSI {19072}

((segid “BrD” and resid 31 and name HA))

((segid “BrD” and resid 34 and name HZ))

3.100
2.400
2.400 peak
19072
weight
0.10000E+01 volume
0.98899E+02 ppm1
5.001
ppm2
7.893

ASSI {19092}

((segid “BrD” and resid 31 and name HA))

((segid “BrD” and resid 30 and name HA))

2.800
2.000
2.000 peak
19092
weight
0.10000E+01 volume
0.15610E+03 ppm1
5.001
ppm2
5.428

ASSI {19172}

((segid “BrD” and resid 43 and name HA))

(segid “BrD” and resid 88 and name HE %)

3.300
2.700
2.200 peak
19172
weight
0.10000E+01 volume
0.58244E+03 ppm1
6.847
ppm2
7.417

ASSI {19182}

((segid “BrD” and resid 43 and name HA))

((segid “BrD” and resid 44 and name HG1))

2.900
2.100
2.100 peak
19182
weight
0.10000E+01 volume
0.12258E+03 ppm1
5.544
ppm2
3.735

ASSI {19192}

((segid “BrD” and resid 43 and name HA))

((segid “BrD” and resid 44 and name HG2))

3.100
2.400
2.400 peak
19192
weight
0.10000E+01 volume
0.97301E+02 ppm1
5.544
ppm2
2.646

OR {19192}

((segid “BrD” and resid 43 and name HA))

((segid “BrD” and resid 44 and name HB2))

ASSI {19202}

((segid “BrD” and resid 43 and name HA))

(segid “BrD” and resid 38 and name HG2 %)

3.500
3.100
2.000 peak
19202
weight
0.10000E+01 volume
0.42319E+02 ppm1
5.544
ppm2
0.799

ASSI {19212}

(segid “BrD” and resid 43 and name HB %)

((segid “BrD” and resid 42 and name HG1))

3.600
3.200
1.900 peak
19212
weight
0.10000E+01 volume
0.35927E+02 ppm1
1.697
ppm2
2.898

ASSI {19242}

(segid “BrD” and resid 43 and name HB %)

(segid “BrD” and resid 50 and name HD1 %)

5.400
5.400
0.100 peak
19242
weight
0.10000E+01 volume
0.31463E+01 ppm1
1.697
ppm2
1.148

ASSI {19272}

(segid “BrD” and resid 43 and name HB %)

((segid “BrD” and resid 39 and name HG1))

3.300
2.700
2.200 peak
39272
weight
0.10000E+01 volume
0.60793E+02 ppm1
1.697
ppm2
2.032

ASSI {19282}

(segid “BrD” and resid 43 and name HB %)

((segid “BrD” and resid 38 and name HB))

3.000
2.200
2.200 peak
19282
weight
0.10000E+01 volume
0.12013E+03 ppm1
1.697
ppm2
1.790

ASSI {19312}

(segid “BrD” and resid 31 and name HB %)

(segid “BrD” and resid 25 and name HG1 %)

3.200
2.600
2.300 peak
19312
weight
0.10000E+01 volume
0.68019E+02 ppm1
2.289
ppm2
1.832

ASSI {19352}

(segid “BrD” and resid 31 and name HB %)

((segid “BrD” and resid 35 and name HB1))

3.400
2.900
2.100 peak
19352
weight
0.10000E+01 volume
0.48169E+02 ppm1
2.289
ppm2
2.841

ASSI {19362}

(segid “BrD” and resid 31 and name HB %)

((segid “BrD” and resid 28 and name HB1))

2.400
1.400
1.400 peak
19362
weight
0.10000E+01 volume
0.37768E+03 ppm1
2.289
ppm2
3.581

ASSI {19372}

(segid “BrD” and resid 31 and name HB %)

((segid “BrD” and resid 35 and name HG1))

2.500
1.600
1.600 peak
19372
weight
0.10000E+01 volume
0.30400E+ 03 ppm1
2.289
ppm2
3.427

ASSI {19382}

(segid “BrD” and resid 31 and name HB %)

((segid “BrD” and resid 34 and name HB2))

4.200
4.200
1.300 peak
19382
weight
0.10000E+01 volume
0.14651E+02 ppm1
2.289
ppm2
3.134

ASSI {19392}

(segid “BrD” and resid 31 and name HB %)

((segid “BrD” and resid 28 and name HA))

3.100
2.400
2.400 peak
19392
weight
0.10000E+01 volume
0.87183E+02 ppm1
2.289
ppm2
4.582

ASSI {19422}

(segid “BrD” and resid 31 and name HB %)

(segid “BrD” and resid 34 and name HE %)

3.500
3.100
2.000 peak
19422
weight
0.10000E+01 volume
0.44223E+02 ppm1
2.289
ppm2
7.803

ASSI {19482}

(segid “BrD” and resid 76 and name HB %)

((segid “BrD” and resid 79 and name HB2))

3.300
2.700
2.200 peak
19482
weight
0.10000E+01 volume
0.66817E+02 ppm1
2.092
ppm2
2.662

ASSI {19492}

(segid “BrD” and resid 76 and name HB %)

((segid “BrD” and resid 80 and name HB2))

2.800
2.000
2.000 peak
19492
weight
0.10000E+01 volume
0.15977E+03 ppm1
2.092
ppm2
2.564

OR {19492}

(segid “BrD” and resid 76 and name HB %)

((segid “BrD” and resid 80 and name HB1))

ASSI {19502}

(segid “BrD” and resid 76 and name HB %)

((segid “BrD” and resid 80 and name HB2))

2.700
1.800
1.800 peak
19502
weight
0.10000E+01 volume
0.21436E+03 ppm1
2.092
ppm2
2.507

ASSI {19522}

(segid “BrD” and resid 76 and name HB %)

((segid “BrD” and resid 77 and name HA))

2.800
2.000
2.000 peak
19522
weight
0.10000E+01 volume
0.15327E+03 ppm1
2.092
ppm2
4.963

ASSI {19552}

(segid “BrD” and resid 76 and name HB %)

((segid “BrD” and resid 51 and name HB2))

2.500
1.600
1.600 peak
19552
weight
0.10000E+01 volume
0.32487E+03 ppm1
2.092
ppm2
1.763

OR {19552}

(segid “BrD” and resid 76 and name HB %)

((segid “BrD” and resid 51 and name HG2))

ASSI {19572}

(segid “BrD” and resid 76 and name HB %)

(segid “BrD” and resid 116 and name HG2 %)

3.600
3.200
1.900 peak
19572
weight
0.10000E+01 volume
0.35020E+02 ppm1
2.092
ppm2
1.432

ASSI {19582}

(segid “BrD” and resid 73 and name HD2 %)

((segid “BrD” and resid 68 and name HA))

2.000
2.000
2.000 peak
19582
weight
0.10000E+01 volume
0.16601E+02 ppm1
1.600
ppm2
5.143

ASSI {19632}

((segid “BrD” and resid 76 and name HA))

((segid “BrD” and resid 80 and name HG1))

3.100
2.400
2.400 peak
19632
weight
0.10000E+01 volume
0.95067E+02 ppm1
4.656
ppm2
2.327

ASSI {19642}

(segid “BrD” and resid 99 and name HB %)

((segid “BrD” and resid 34 and name HZ))

2.200
2.200
2.300 peak
19642
weight
0.10000E+01 volume
0.65240E+03 ppm1
2.190
ppm2
7.903

ASSI {19652}

(segid “BrD” and resid 99 and name HB %)

(segid “BrD” and resid 34 and name HE %)

2.300
1.300
1.300 peak
19652
weight
0.10000E+01 volume
0.50164E+03 ppm1
2.190
ppm2
7.781

ASSI {19672}

(segid “BrD” and resid 99 and name HB %)

(segid “BrD” and resid 82 and name HD1)

2.500
1.600
1.600 peak
19672
weight
0.10000E+01 volume
0.36039E+03 ppm1
2.190
ppm2
7.259

ASSI {19692}

(segid “BrD” and resid 99 and name HB %)

((segid “BrD” and resid 85 and name HA))

3.100
2.400
2.400 peak
19692
weight
0.10000E+01 volume
0.92786E+02 ppm1
2.190
ppm2
5.005

ASSI {19702}

(segid “BrD” and resid 99 and name HB %)

((segid “BrD” and resid 100 and name HA))

3.000
2.200
2.200 peak
19702
weight
0.10000E+01 volume
0.10441E+03 ppm1
2.190
ppm2
4.948

ASSI {19752}

(segid “BrD” and resid 99 and name HB %)

((segid “BrD” and resid 103 and name HG1))

3.000
2.200
2.200 peak
19752
weight
0.10000E+01 volume
0.10256E+03 ppm1
2.190
ppm2
2.613

ASSI {19772}

(segid “BrD” and resid 76 and name HB %)

((segid “BrD” and resid 79 and name HB1))

3.500
3.100
2.000 peak
19772
weight
0.10000E+01 volume
0.45000E+02 ppm1
2.092
ppm2
2.784

ASSI {19792}

((segid “BrD” and resid 99 and name HA))

((segid “BrD” and resid 34 and name HZ))

2.600
1.700
1.700 peak
19792
weight
0.10000E+01 volume
0.26558E+03 ppm1
4.459
ppm2
7.901

ASSI {19802}

((segid “BrD” and resid 99 and name HA))

(segid “BrD” and resid 34 and name HE %)

2.700
1.800
1.800 peak
19802
weight
0.10000E+01 volume
0.21467E+03 ppm1
4.459
ppm2
7.771

ASSI {19812}

((segid “BrD” and resid 99 and name HA))

(segid “BrD” and resid 82 and name HE %)

3.200
2.600
2.300 peak
19812
weight
0.10000E+01 volume
0.71395E+02 ppm1
4.457
ppm2
7.073

ASSI {19822}

((segid “BrD” and resid 99 and name HA))

(segid “BrD” and resid 82 and name HD %)

2.800
2.000
2.000 peak
19822
weight
0.10000E+01 volume
0.15492E+03 ppm1
4.459
ppm2
7.259

ASSI {19832}

((segid “BrD” and resid 99 and name HA))

((segid “BrD” and resid 100 and name HA))

2.800
2.000
2.000 peak
19832
weight
0.10000E+01 volume
0.16591E+03 ppm1
4.458
ppm2
4.950

ASSI {19842}

((segid “BrD” and resid 99 and name HA))

((segid “BrD” and resid 103 and name HB2))

2.600
1.700
1.700 peak
19842
weight
0.10000E+01 volume
0.24667E+03 ppm1
4.458
ppm2
1.922

ASSI {19882}

((segid “BrD” and resid 113 and name HA))

(segid “BrD” and resid 110 and name HG2 %)

3.600
3.200
1.900 peak
19882
weight
0.10000E+01 volume
0.35803E+02 ppm1
4.903
ppm2
1.222

ASSI {19902}

((segid “BrD” and resid 113 and name HA))

((segid “BrD” and resid 112 and name HB1))

3.400
2.900
2.100 peak
19902
weight
0.10000E+01 volume
0.48759E+02 ppm1
4.903
ppm2
2.670

ASSI {19912}

((segid “BrD” and resid 113 and name HA))

((segid “BrD” and resid 110 and name HA))

3.500
3.100
2.000 peak
19912
weight
0.10000E+01 volume
0.44605E+02 ppm1
4.903
ppm2
4.419

ASSI {19922}

((segid “BrD” and resid 113 and name HA))

((segid “BrD” and resid 14 and name HA))

3.100
2.400
2.400 peak
19922
weight
0.10000E+01 volume
0.84488E+02 ppm1
4.903
ppm2
4.663

ASSI {19962}

((segid “BrD” and resid 113 and name HA))

(segid “BrD” and resid 115 and name HD1 %)

4.000
4.000
1.500 peak
19962
weight
0.10000E+01 volume
0.18572E+02 ppm1
4.899
ppm2
1.313

ASSI {19992}

(segid “BrD” and resid 113 and name HB %)

((segid “BrD” and resid 14 and name HB1))

3.300
2.700
2.200 peak
19992
weight
0.10000E+01 volume
0.60405E+02 ppm1
1.991
ppm2
2.442

ASSI {20032}

(segid “BrD” and resid 113 and name HB %)

((segid “BrD” and resid 14 and name HG))

2.100
2.100
2.400 peak
20032
weight
0.10000E+01 volume
0.86636E+03 ppm1
1.994
ppm2
2.059

ASSI {20042}

(segid “BrD” and resid 113 and name HB %)

(segid “BrD” and resid 18 and name HD2 %)

4.200
4.200
1.300 peak
20042
weight
0.10000E+01 volume
0.14101E+02 ppm1
1.993
ppm2
0.408

ASSI {20052}

(segid “BrD” and resid 113 and name HB %)

(segid “BrD” and resid 115 and name HD1 %)

2.400
1.400
1.400 peak
20052
weight
0.10000E+01 volume
0.47259E+03 ppm1
1.993
ppm2
1.319

ASSI {20072}

((segid “BrD” and resid 110 and name HA))

(segid “BrD” and resid 115 and name HD1 %)

$$
1.600
1.600 peak
20072
weight
0.10000E+01 volume
0.33630E+03 ppm1
4.409
ppm2
1.319

ASSI {20192}

((segid “BrD” and resid 17 and name HB))

(segid “BrD” and resid 115 and name HD1 %)

3.200
2.600
2.300 peak
20192
weight
0.10000E+01 volume
0.76060E+02 ppm1
4.854
ppm2
1.327

ASSI {20212}

((segid “BrD” and resid 17 and name HA))

(segid “BrD” and resid 21 and name HD1 %)

4.600
4.600
0.900 peak
20212
weight
0.10000E+01 volume
0.88717E+01 ppm1
4.542
ppm2
1.224

ASSI {20242}

(segid “BrD” and resid 17 and name HG2 %)

(segid “BrD” and resid 75 and name HE %)

2.600
1.700
1.700 peak
20242
weight
0.10000E+01 volume
0.27619E+03 ppm1
1.747
ppm2
2.619

ASSI {20252}

(segid “BrD” and resid 17 and name HG2 %)

((segid “BrD” and resid 21 and name HB))

3.000
2.200
2.200 peak
20252
weight
0.10000E+01 volume
0.10098E+03 ppm1
1.747
ppm2
2.507

ASSI {20272}

(segid “BrD” and resid 17 and name HG2 %)

((segid “BrD” and resid 115 and name HB1))

3.500
3.100
2.000 peak
20272
weight
0.10000E+01 volume
0.46134E+02 ppm1
1.747
ppm2
2.214

ASSI {20292}

(segid “BrD” and resid 17 and name HG2 %)

((segid “BrD” and resid 109 and name HB2))

2.600
1.700
1.700 peak
20292
weight
0.10000E+01 volume
0.25743E+03 ppm1
1.747
ppm2
2.149

ASSI {20302}

(segid “BrD” and resid 17 and name HG2 %)

((segid “BrD” and resid 18 and name HB2))

4.600
4.600
0.900 peak
20302
weight
0.10000E+01 volume
0.84610E+01 ppm1
1.747
ppm2
0.904

ASSI {20312}

((segid “BrD” and resid 41 and name HB))

((segid “BrD” and resid 39 and name HD1))

3.300
2.700
2.200 peak
20312
weight
0.10000E+01 volume
0.67487E+02 ppm1
4.903
ppm2
2.271

ASSI {20332}

((segid “BrD” and resid 41 and name HA))

((segid “BrD” and resid 44 and name HD2))

3.500
3.100
2.000 peak
20332
weight
0.10000E+01 volume
0.42717E+02 ppm1
4.656
ppm2
4.143

ASSI {20382}

((segid “BrD” and resid 41 and name HA))

((segid “BrD” and resid 44 and name HD1))

2.900
2.100
2.100 peak
20382
weight
0.10000E+01 volume
0.13674E+03 ppm1
4.656
ppm2
4.308

ASSI {20532}

(segid “BrD” and resid 41 and name HG2 %)

((segid “BrD” and resid 42 and name HA))

3.400
2.900
2.100 peak
20532
weight
0.10000E+01 volume
0.51387E+02 ppm1
1.845
ppm2
5.062

ASSI {20542}

(segid “BrD” and resid 41 and name HG2 %)

((segid “BrD” and resid 39 and name HD1))

2.600
1.700
1.700 peak
20542
weight
0.10000E+01 volume
0.28354E+03 ppm1
1.844
ppm2
2.019

ASSI {20562}

(segid “BrD” and resid 41 and name HG2 %)

((segid “BrD” and resid 39 and name HD1))

2.900
2.100
2.100 peak
20562
weight
0.10000E+01 volume
0.13596E+03 ppm1
1.844
ppm2
2.296

ASSI {20572}

(segid “BrD” and resid 41 and name HG2 %)

((segid “BrD” and resid 39 and name HB1))

3.200
2.600
2.300 peak
20572
weight
0.10000E+01 volume
0.75085E+02 ppm1
1.845
ppm2
2.466

ASSI {20592}

((segid “BrD” and resid 112 and name HG2))

((segid “BrD” and resid 112 and name HA))

2.400
1.400
1.400 peak
20592
weight
0.10000E+01 volume
0.44748E+03 ppm1
2.832
ppm2
4.585

ASSI {20712}

((segid “BrD” and resid 67 and name HA))

((segid “BrD” and resid 68 and name HA))

2.800
2.000
2.000 peak
20712
weight
0.10000E+01 volume
0.17530E+03 ppm1
4.656
ppm2
5.111

ASSI {20802}

(segid “BrD” and resid 25 and name HG2 %)

(segid “BrD” and resid 82 and name HE %)

2.900
2.100
2.100 peak
20802
weight
0.10000E+01 volume
0.13726E+03 ppm1
1.648
ppm2
7.026

OR {20802}

(segid “BrD” and resid 25 and name HG2 %)

((segid “BrD” and resid 82 and name HZ))

ASSI {20812}

(segid “BrD” and resid 58 and name HG2 %)

(segid “BrD” and resid 68 and name HE %)

3.200
2.600
2.300 peak
20812
weight
0.10000E+01 volume
0.69885E+02 ppm1
1.651
ppm2
7.920

ASSI {20852}

(segid “BrD” and resid 25 and name HG2 %)

((segid “BrD” and resid 31 and name HA))

3.400
2.900
2.100 peak
20852
weight
0.10000E+01 volume
0.55839E+02 ppm1
1.649
ppm2
4.980

ASSI {20862}

((segid “BrD” and resid 62 and name HD1))

((segid “BrD” and resid 62 and name HB2))

2.900
2.100
2.100 peak
20862
weight
0.10000E+01 volume
0.12367E+03 ppm1
3.175
ppm2
1.710

ASSI {20872}

((segid “BrD” and resid 62 and name HD2))

((segid “BrD” and resid 62 and name HB2))

3.000
2.200
2.200 peak
20872
weight
0.10000E+01 volume
0.11189E+03 ppm1
2.633
ppm2
1.711

ASSI {20992}

((segid “BrD” and resid 62 and name HB1))

(segid “BrD” and resid 68 and name HE %)

3.100
2.400
2.400 peak
20992
weight
0.10000E+01 volume
0.97455E+02 ppm1
2.638
ppm2
7.905

ASSI {21082}

(segid “BrD” and resid 83 and name $$)

((segid “BrD” and resid 87 and name HG2))

3.000
2.200
2.200 peak
21082
weight
0.10000E+01 volume
0.11102E+03 ppm1
1.895
ppm2
2.784

ASSI {21142}

((segid “BrD” and resid 83 and name HB))

((segid “BrD” and resid 80 and name HG1))

3.400
2.900
2.100 peak
21142
weight
0.10000E+01 volume
0.55703E+02 ppm1
4.803
ppm2
2.360

ASSI {21192}

(segid “BrD” and resid 83 and name HG2 %)

((segid “BrD” and resid 87 and name HG1))

2.100
1.100
1.100 peak
21192
weight
0.10000E+01 volume
0.10489E+04 ppm1
1.895
ppm2
3.028

ASSI {21202}

(segid “BrD” and resid 83 and name HG2 %)

((segid “BrD” and resid 87 and name HB2))

3.400
2.900
2.100 peak
21202
weight
0.10000E+01 volume
0.47826E+02 ppm1
1.899
ppm2
2.597

ASSI {21292}

(segid “BrD” and resid 25 and name HG1 %)

(segid “BrD” and resid 106 and name HD %)

2.500
2.500
2.000 peak
21292
weight
0.10000E+01 volume
0.35912E+03 ppm1
1.795
ppm2
7.515

ASSI {21322}

(segid “BrD” and resid 25 and name HG1 %)

(segid “BrD” and resid 82 and name HE %)

3.500
3.100
2.000 peak
21322
weight
0.10000E+01 volume
0.43989E+02 ppm1
1.795
ppm2
7.026

OR {21322}

(segid “BrD” and resid 25 and name HG1 %)

((segid “BrD” and resid 82 and name HZ))

ASSI {21392}

((segid “BrD” and resid 25 and name HB))

(segid “BrD” and resid 102 and name HD1 %)

3.600
3.200
1.900 peak
21392
weight
0.10000E+01 volume
0.35593E+02 ppm1
2.979
ppm2
1.327

OR {21392}

((segid “BrD” and resid 25 and name HB))

(segid “BrD” and resid 102 and name HD2 %)

ASSI {21402}

((segid “BrD” and resid 25 and name HB))

(segid “BrD” and resid 78 and name HD2 %)

4.400
4.400
1.100 peak
21402
weight
0.10000E+01 volume
0.11302E+02 ppm1
2.979
ppm2
0.676

ASSI {21422}

(segid “BrD” and resid 25 and name HG1 %)

((segid “BrD” and resid 102 and name HG))

3.500
3.100
2.000 peak
21422
weight
0.10000E+01 volume
0.43674E+02 ppm1
1.795
ppm2
2.157

ASSI {21452}

(segid “BrD” and resid 25 and name HG1 %)

((segid “BrD” and resid 104 and name HB1))

4.300
4.300
1.200 peak
21452
weight
0.10000E+01 volume
0.11856E+02 ppm1
1.796
ppm2
3.907

ASSI {21462}

(segid “BrD” and resid 25 and name HG1 %)

((segid “BrD” and resid 21 and name HA))

2.700
1.800
1.800 peak
21462
weight
0.10000E+01 volume
0.21023E+03 ppm1
1.797
ppm2
4.369

ASSI {21472}

(segid “BrD” and resid 25 and name HG1 %)

((segid “BrD” and resid 102 and name HA))

3.400
2.900
2.100 peak
21472
weight
0.10000E+01 volume
0.48930E+02 ppm1
1.796
ppm2
4.297

ASSI {21562}

(segid “BrD” and resid 81 and name HG2 %)

((segid “BrD” and resid 82 and name HA))

2.900
2.100
2.100 peak
21562
weight
0.10000E+01 volume
0.12612E+03 ppm1
0.760
ppm2
4.753

ASSI {21582}

(segid “BrD” and resid 38 and name HG1 %)

((segid “BrD” and resid 37 and name HA))

3.300
2.700
2.200 peak
21582
weight
0.10000E+01 volume
0.64039E+02 ppm1
1.056
ppm2
4.859

ASSI {21672}

(segid “BrD” and resid 81 and name HG1 %)

(segid “BrD” and resid 34 and name HD %)

3.400
2.900
2.100 peak
21672
weight
0.10000E+01 volume
0.52778E+02 ppm1
1.056
ppm2
7.706

ASSI {21702}

(segid “BrD” and resid 38 and name HG2 %)

((segid “BrD” and resid 41 and name HA))

4.900
4.900
0.600 peak
21702
weight
0.10000E+01 volume
0.56291E+01 ppm1
0.808
ppm2
4.646

ASSI {21732}

(segid “BrD” and resid 81 and name HG2 %)

(segid “BrD” and resid 56 and name HD2 %)

2.600
1.700
1.700 peak
21732
weight
0.10000E+01 volume
0.28103E+03 ppm1
0.760
ppm2
1.236

ASSI {21742}

(segid “BrD” and resid 81 and name HG2 %)

(segid “BrD” and resid 102 and name HD1 %)

3.900
3.800
1.600 peak
21742
weight
0.10000E+01 volume
0.21895E+02 ppm1
0.760
ppm2
1.319

OR {21742}

(segid “BrD” and resid 81 and name HG2 %)

(segid “BrD” and resid 102 and name HD2 %)

ASSI {21752}

(segid “BrD” and resid 81 and name HG2 %)

((segid “BrD” and resid 84 and name HB2))

3.000
2.200
2.200 peak
21752
weight
0.10000E+01 volume
0.11571E+03 ppm1
0.763
ppm2
3.296

ASSI {21772}

((segid “BrD” and resid 81 and name HB))

(segid “BrD” and resid 78 and name HD2 %)

3.200
2.600
2.300 peak
21772
weight
0.10000E+01 volume
0.80152E+02 ppm1
2.042
ppm2
0.683

ASSI {21802}

((segid “BrD” and resid 81 and name HA))

((segid “BrD” and resid 80 and name HB1))

3.900
3.800
1.600 peak
21802
weight
0.10000E+01 volume
0.23614E+02 ppm1
3.719
ppm2
2.564

OR {21802}

((segid “BrD” and resid 81 and name HA))

((segid “BrD” and resid 80 and name HB2))

ASSI {21812}

((segid “BrD” and resid 81 and name HA))

((segid “BrD” and resid 80 and name HB1))

3.600
3.200
1.900 peak
21812
weight
0.10000E+01 volume
0.37077E+02 ppm1
3.719
ppm2
2.597

ASSI {21902}

((segid “BrD” and resid 49 and name HA))

(segid “BrD” and resid 50 and name HD1 %)

4.100
4.100
1.400 peak
21902
weight
0.10000E+01 volume
0.17504E+02 ppm1
4.656
ppm2
1.140

ASSI {21952}

(segid “BrD” and resid 50 and name HD1 %)

((segid “BrD” and resid 68 and name HB1))

2.400
1.400
1.400 peak
21952
weight
0.10000E+01 volume
0.36864E+03 ppm1
1.155
ppm2
3.535

ASSI {21972}

(segid “BrD” and resid 50 and name HD1 %)

((segid “BrD” and resid 46 and name HA))

4.100
4.100
1.400 peak
21972
weight
0.10000E+01 volume
0.16984E+02 ppm1
1.155
ppm2
4.151

ASSI {22022}

(segid “BrD” and resid 50 and name HD1 %)

(segid “BrD” and resid 88 and name HD %)

3.100
2.400
2.400 peak
22022
weight
0.10000E+01 volume
0.52494E+02 ppm1
1.155
ppm2
7.606

ASSI {22042}

((segid “BrD” and resid 50 and name HB))

((segid “BrD” and resid 51 and name HB1))

4.800
4.800
0.700 peak
22042
weight
0.10000E+01 volume
0.67010E+01 ppm1
1.797
ppm2
1.966

OR {22042}

((segid “BrD” and resid 50 and name HB))

((segid “BrD” and resid 51 and name HG1))

ASSI {22132}

((segid “BrD” and resid 50 and name HA))

(segid “BrD” and resid 49 and name HG2 %)

2.500
1.600
1.600 peak
22132
weight
0.10000E+01 volume
0.30657E+03 ppm1
4.506
ppm2
1.570

ASSI {22142}

((segid “BrD” and resid 50 and name HA))

(segid “BrD” and resid 49 and name HG1 %)

3.800
3.600
1.700 peak
22142
weight
0.10000E+01 volume
0.27941E+02 ppm1
4.506
ppm2
1.646

ASSI {22212}

(segid “BrD” and resid 50 and name HG2 %)

((segid “BrD” and resid 51 and name HB1))

4.000
4.000
1.500 peak
22212
weight
0.10000E+01 volume
0.20287E+02 ppm1
1.007
ppm2
1.954

ASSI {22222}

((segid “BrD” and resid 84 and name HA))

(segid “BrD” and resid 83 and name HG2 %)

4.100
4.100
1.400 peak
22222
weight
0.10000E+01 volume
0.17290E+02 ppm1
4.903
ppm2
1.913

ASSI {22232}

((segid “BrD” and resid 84 and name HA))

((segid “BrD” and resid 87 and name HG1))

3.500
3.100
2.000 peak
22232
weight
0.10000E+01 volume
0.41523E+02 ppm1
4.904
ppm2
3.010

ASSI {22242}

((segid “BrD” and resid 84 and name HA))

((segid “BrD” and resid 88 and name HB1))

3.100
2.400
2.400 peak
22242
weight
0.10000E+01 volume
0.82426E+02 ppm1
4.904
ppm2
3.533

ASSI {22322}

(segid “BrD” and resid 69 and name HG1 %)

((segid “BrD” and resid 66 and name HA))

2.800
2.000
2.000 peak
22322
weight
0.10000E+01 volume
0.17920E+03 ppm1
1.551
ppm2
4.989

ASSI {22332}

(segid “BrD” and resid 69 and name HG1 %)

((segid “BrD” and resid 68 and name HA))

5.000
5.000
0.500 peak
22332
weight
0.10000E+01 volume
0.51283E+01 ppm1
1.551
ppm2
5.141

ASSI {22372}

(segid “BrD” and resid 69 and name HG2 %)

((segid “BrD” and resid 66 and name HB1))

4.000
4.000
1.800 peak
22372
weight
0.10000E+01 volume
0.19974E+02 ppm1
1.425
ppm2
2.726

ASSI {22382}

(segid “BrD” and resid 69 and name HG2 %)

((segid “BrD” and resid 11 and name HB2))

3.100
2.400
2.400 peak
22382
weight
0.10000E+01 volume
0.94687E+02 ppm1
1.425
ppm2
2.612

ASSI {22452}

(segid “BrD” and resid 69 and name HG2 %)

(segid “BrD” and resid 63 and name HD1 %)

2.400
1.400
1.400 peak
22452
weight
0.10000E+01 volume
0.42940E+03 ppm1
1.425
ppm2
1.659

ASSI {22482}

(segid “BrD” and resid 49 and name HG2 %)

((segid “BrD” and resid 50 and name HG12))

4.000
4.000
1.500 peak
22482
weight
0.10000E+01 volume
0.18478E+02 ppm1
1.548
ppm2
0.808

ASSI {22492}

(segid “BrD” and resid 49 and name HG2 %)

((segid “BrD” and resid 87 and name HA))

4.900
4.900
0.600 peak
22492
weight
0.10000E+01 volume
0.59811E+01 ppm1
1.549
ppm2
4.854

ASSI {22552}

(segid “BrD” and resid 49 and name HG1 %)

((segid “BrD” and resid 50 and name HG12))

4.800
4.800
0.700 peak
22552
weight
0.10000E+01 volume
0.66665E+01 ppm1
1.647
ppm2
0.835

ASSI {22592}

((segid “BrD” and resid 57 and name HG2))

((segid “BrD” and resid 36 and name HA))

3.500
3.100
2.000 peak
22592
weight
0.10000E+01 volume
0.41488E+02 ppm1
2.016
ppm2
5.446

ASSI {22612}

((segid “BrD” and resid 42 and name HA))

(segid “BrD” and resid 43 and name HB %)

4.300
4.300
1.200 peak
22612
weight
0.10000E+01 volume
0.12059E+02 ppm1
5.050
ppm2
1.710

ASSI {22632}

((segid “BrD” and resid 42 and name HA))

((segid “BrD” and resid 44 and name HD1))

4.200
4.200
1.300 peak
22632
weight
0.10000E+01 volume
0.14713E+02 ppm1
5.051
ppm2
4.337

ASSI {22642}

((segid “BrD” and resid 42 and name HA))

((segid “BrD” and resid 43 and name HA))

4.000
4.000
1.500 peak
22642
weight
0.10000E+01 volume
0.19305E+02 ppm1
5.051
ppm2
5.550

ASSI {22682}

((segid “BrD” and resid 117 and name HA))

((segid “BrD” and resid 116 and name HA))

3.200
2.600
2.300 peak
22682
weight
0.10000E+01 volume
0.76840E+02 ppm1
5.148
ppm2
4.826

ASSI {22722}

((segid “BrD” and resid 117 and name HA))

(segid “BrD” and resid 116 and name HD1 %)

4.300
4.300
1.200 peak
22722
weight
0.10000E+01 volume
0.13070E+02 ppm1
5.149
ppm2
1.409

OR {22722}

((segid “BrD” and resid 117 and name HA))

(segid “BrD” and resid 116 and name HG2 %)

ASSI {22732}

((segid “BrD” and resid 7 and name HB1))

((segid “BrD” and resid 8 and name HD2))

2.800
2.000
2.000 peak
22732
weight
0.10000E+01 volume
0.18127E+03 ppm1
2.636
ppm2
4.287

ASSI {22742}

((segid “BrD” and resid 37 and name HA))

((segid “BrD” and resid 38 and name HA))

3.900
3.800
1.600 peak
22742
weight
0.10000E+01 volume
0.21223E+02 ppm1
4.853
ppm2
4.167

ASSI {22752}

((segid “BrD” and resid 37 and name HA))

((segid “BrD” and resid 38 and name HB))

5.500
5.500
0.000 peak
22752
weight
0.10000E+01 volume
0.13492E+00 ppm1
4.853
ppm2
1.759

ASSI {22852}

((segid “BrD” and resid 59 and name HB2))

(segid “BrD” and resid 56 and name HD2 %)

3.100
2.700
2.200 peak
22852
weight
0.10000E+01 volume
0.58772E+02 ppm1
2.486
ppm2
1.246

ASSI {22882}

((segid “BrD” and resid 8 and name HD2))

((segid “BrD” and resid 8 and name HA))

3.300
2.700
2.200 peak
22882
weight
0.10000E+01 volume
0.65959E+02 ppm1
4.261
ppm2
5.021

ASSI {22892}

((segid “BrD” and resid 8 and name HD1))

((segid “BrD” and resid 8 and name HA))

2.800
2.000
2.000 peak
22892
weight
0.10000E+01 volume
0.15205E+03 ppm1
4.407
ppm2
5.019

ASSI {22932}

((segid “BrD” and resid 37 and name HD1))

((segid “BrD” and resid 37 and name HA))

3.000
2.200
2.200 peak
22932
weight
0.10000E+01 volume
0.11242E+03 ppm1
4.261
ppm2
4.859

ASSI {22952}

((segid “BrD” and resid 44 and name HD2))

((segid “BrD” and resid 42 and name HA))

3.600
3.200
1.900 peak
22952
weight
0.10000E+01 volume
0.34019E+02 ppm1
4.114
ppm2
5.046

ASSI {22962}

((segid “BrD” and resid 91 and name HD2))

((segid “BrD” and resid 93 and name HB2))

3.000
2.200
2.200 peak
22962
weight
0.10000E+01 volume
0.11249E+03 ppm1
4.409
ppm2
4.745

ASSI {22992}

((segid “BrD” and resid 11 and name HD1))

((segid “BrD” and resid 11 and name HB1))

2.500
1.600
1.600 peak
22992
weight
0.10000E+01 volume
0.33828E+03 ppm1
4.457
ppm2
2.945

ASSI {23012}

((segid “BrD” and resid 6 and name HD1))

((segid “BrD” and resid 6 and name HB1))

3.300
2.700
2.200 peak
23012
weight
0.10000E+01 volume
0.56548E+02 ppm1
4.409
ppm2
2.849

ASSI {23022}

((segid “BrD” and resid 44 and name HD1))

((segid “BrD” and resid 44 and name HG1))

2.100
1.100
1.100 peak
23022
weight
0.10000E+01 volume
0.84503E+03 ppm1
4.321
ppm2
2.727

ASSI {23062}

((segid “BrD” and resid 37 and name HD1))

((segid “BrD” and resid 37 and name HB2))

3.200
2.600
2.300 peak
23062
weight
0.10000E+01 volume
0.60384E+02 ppm1
4.261
ppm2
2.287

ASSI {23082}

((segid “BrD” and resid 91 and name HD1))

((segid “BrD” and resid 91 and name HG1))

2.600
1.700
1.700 peak
23082
weight
0.10000E+01 volume
0.26120E+03 ppm1
4.557
ppm2
2.784

ASSI {23092}

((segid “BrD” and resid 44 and name HD2))

((segid “BrD” and resid 44 and name HG1))

2.300
1.300
1.300 peak
23092
weight
0.10000E+01 volume
0.51719E+03 ppm1
4.114
ppm2
2.735

ASSI {23102}

((segid “BrD” and resid 44 and name HD2))

((segid “BrD” and resid 44 and name HG2))

2.300
1.300
1.300 peak
23102
weight
0.10000E+01 volume
0.54971E+03 ppm1
4.114
ppm2
2.654

ASSI {23112}

((segid “BrD” and resid 11 and name HD1))

((segid “BrD” and resid 11 and name HG1))

2.600
1.700
1.700 peak
23112
weight
0.10000E+01 volume
0.26059E+03 ppm1
4.454
ppm2
2.648

ASSI {23122}

((segid “BrD” and resid 44 and name HD2))

((segid “BrD” and resid 44 and name HB1))

2.700
1.800
1.800 peak
23122
weight
0.10000E+01 volume
0.21568E+03 ppm1
4.124
ppm2
2.973

ASSI {23202}

((segid “BrD” and resid 44 and name HG2))

((segid “BrD” and resid 41 and name HA))

3.200
2.600
2.300 peak
23202
weight
0.10000E+01 volume
0.75568E+02 ppm1
2.635
ppm2
4.666

ASSI {23242}

((segid “BrD” and resid 11 and name HG1))

(segid “BrD” and resid 69 and name HG1 %)

1.200
2.600
2.300 peak
23242
weight
0.10000E+01 volume
0.73085E+02 ppm1
2.635
ppm2
1.547

ASSI {23272}

((segid “BrD” and resid 11 and name HG1))

(segid “BrD” and resid 14 and name HD2 %)

3.500
3.100
2.000 peak
23272
weight
0.10000E+01 volume
0.45861E+02 ppm1
2.635
ppm2
1.376

OR {23272}

((segid “BrD” and resid 11 and name HG1))

(segid “BrD” and resid 14 and name HD1 %)

ASSI {23292}

((segid “BrD” and resid 91 and name HG1))

((segid “BrD” and resid 89 and name HA))

4.600
4.600
0.900 peak
23292
weight
0.10000E+01 volume
0.80378E+01 ppm1
2.784
ppm2
5.646

ASSI {23372}

((segid “BrD” and resid 9 and name HD1))

(segid “BrD” and resid 14 and name HD1 %)

3.700
3.400
1.800 peak
23372
weight
0.10000E+01 volume
0.32266E+02 ppm1
3.768
ppm2
1.425

OR {23372}

((segid “BrD” and resid 9 and name HD1))

(segid “BrD” and resid 14 and name HD2 %)

ASSI {23402}

((segid “BrD” and resid 100 and name HA))

((segid “BrD” and resid 86 and name HE1))

1.500
3.100
2.000 peak
23402
weight
0.10000E+01 volume
0.44085E+02 ppm1
4.952
ppm2
3.093

ASSI {23422}

((segid “BrD” and resid 9 and name HB2))

((segid “BrD” and resid 8 and name HA))

3.000
2.200
2.200 peak
23422
weight
0.10000E+01 volume
0.11322E+03 ppm1
2.388
ppm2
5.029

ASSI {23472}

((segid “BrD” and resid 6 and name HA))

((segid “BrD” and resid 6 and name HG1))

1.900
0.900
0.900 peak
23472
weight
0.10000E+01 volume
0.18609E+04 ppm1
4.952
ppm2
2.214

ASSI {23572}

((segid “BrD” and resid 11 and name HB2))

((segid “BrD” and resid 10 and name HA))

3.600
3.200
1.900 peak
23572
weight
0.10000E+01 volume
0.38586E+02 ppm1
2.585
ppm2
5.477

ASSI {23592}

((segid “BrD” and resid 12 and name HA))

((segid “BrD” and resid 11 and name HA))

4.600
4.600
0.900 peak
23592
weight
0.10000E+01 volume
0.79375E+01 ppm1
5.297
ppm2
4.948

ASSI {23602}

((segid “BrD” and resid 29 and name HG1))

((segid “BrD” and resid 27 and name HA))

3.900
3.800
1.600 peak
23602
weight
0.10000E+01 volume
0.21350E+02 ppm1
2.978
ppm2
5.022

ASSI {23632}

((segid “BrD” and resid 13 and name HB1))

((segid “BrD” and resid 113 and name HA))

2.700
1.800
1.800 peak
23632
weight
0.10000E+01 volume
0.21427E+03 ppm1
2.733
ppm2
4.920

ASSI {23642}

((segid “BrD” and resid 13 and name HG2))

((segid “BrD” and resid 113 and name HA))

3.200
2.600
2.300 peak
23642
weight
0.10000E+01 volume
0.71312E+02 ppm1
2.978
ppm2
4.920

ASSI {23652}

((segid “BrD” and resid 13 and name HB1))

((segid “BrD” and resid 12 and name HB2))

2.900
2.100
2.100 peak
23652
weight
0.10000E+01 volume
0.14282E+03 ppm1
2.732
ppm2
3.358

ASSI {23672}

((segid “BrD” and resid 14 and name HA))

(segid “BrD” and resid 18 and name HD2 %)

3.300
2.700
2.200 peak
23672
weight
0.10000E+01 volume
0.64900E+02 ppm1
4.654
ppm2
0.409

ASSI {23712}

((segid “BrD” and resid 111 and name HA))

(segid “BrD” and resid 110 and name HG2 %)

2.400
1.400
1.400 peak
23712
weight
0.10000E+01 volume
0.44849E+03 ppm1
4.656
ppm2
1.246

ASSI {23732}

((segid “BrD” and resid 14 and name HB2))

(segid “BrD” and resid 14 and name HD2 %)

2.200
1.200
1.200 peak
23732
weight
0.10000E+01 volume
0.70287E+03 ppm1
2.142
ppm2
1.402

OR {23732}

((segid “BrD” and resid 14 and name HB2))

(segid “BrD” and resid 14 and name HD1 %)

ASSI {23762}

(segid “BrD” and resid 14 and name HD2 %)

((segid “BrD” and resid 70 and name HA))

3.100
2.400
2.400 peak
23762
weight
0.10000E+01 volume
0.94978E+02 ppm1
1.401
ppm2
5.359

ASSI {23802}

(segid “BrD” and resid 14 and name HD2 %)

((segid “BrD” and resid 15 and name HB1))

3.800
3.600
1.700 peak
23802
weight
0.10000E+01 volume
0.26555E+02 ppm1
1.401
ppm2
3.785

ASSI {23842}

(segid “BrD” and resid 14 and name HD2 %)

(segid “BrD” and resid 75 and name HE %)

2.600
1.700
1.700 peak
23842
weight
0.10000E+01 volume
0.23698E+03 ppm1
1.401
ppm2
2.619

ASSI {23882}

((segid “BrD” and resid 18 and name HA))

((segid “BrD” and resid 17 and name HB))

3.500
3.100
2.000 peak
23882
weight
0.10000E+01 volume
0.41356E+02 ppm1
3.867
ppm2
4.867

ASSI {23922}

((segid “BrD” and resid 18 and name HB1))

(segid “BrD” and resid 63 and name HD2 %)

3.900
3.800
1.600 peak
23922
weight
0.10000E+01 volume
0.21833E+02 ppm1
2.144
ppm2
1.492

ASSI {23972}

((segid “BrD” and resid 18 and name HB2))

(segid “BrD” and resid 74 and name HE %)

3.200
2.400
2.300 peak
23972
weight
0.10000E+01 volume
0.77951E+02 ppm1
0.911
ppm2
7.513

ASSI {23982}

((segid “BrD” and resid 18 and name HB2))

(segid “BrD” and resid 74 and name HD %)

3.700
3.400
1.800 peak
23982
weight
0.10000E+01 volume
0.32246E+02 ppm1
0.911
ppm2
7.014

ASSI {24022}

((segid “BrD” and resid 18 and name HG))

(segid “BrD” and resid 115 and name HD1 %)

4.500
4.500
2.000 peak
24022
weight
0.10000E+01 volume
0.94731E+01 ppm1
2.290
ppm2
1.317

ASSI {24032}

(segid “BrD” and resid 18 and name HD2 %)

((segid “BrD” and resid 75 and name HA))

3.400
2.900
2.100 peak
24032
weight
0.10000E+01 volume
0.52852E+02 ppm1
0.415
ppm2
4.541

ASSI {24202}

(segid “BrD” and resid 18 and name HD1 %)

((segid “BrD” and resid 17 and name HB))

3.900
3.800
1.600 peak
24202
weight
0.10000E+01 volume
0.21965E+02 ppm1
1.056
ppm2
4.859

ASSI {24232}

(segid “BrD” and resid 18 and name HD1 %)

((segid “BrD” and resid 15 and name HB1))

3.700
3.400
1.800 peak
24232
weight
0.10000E+01 volume
0.32596E+02 ppm1
1.056
ppm2
3.401

ASSI {24262}

(segid “BrD” and resid 18 and name HD1 %)

(segid “BrD” and resid 78 and name HD2 %)

3.500
3.100
2.000 peak
24262
weight
0.10000E+01 volume
0.41978E+02 ppm1
1.056
ppm2
0.676

ASSI {24272}

(segid “BrD” and resid 18 and name HD1 %)

((segid “BrD” and resid 69 and name HA))

3.400
2.900
2.100 peak
24272
weight
0.10000E+01 volume
0.49516E+02 ppm1
1.057
ppm2
4.692

ASSI {24302}

((segid “BrD” and resid 63 and name HA))

((segid “BrD” and resid 68 and name HB2))

3.300
2.700
2.200 peak
24302
weight
0.10000E+01 volume
0.61304E+02 ppm1
5.294
ppm2
3.557

ASSI {24452}

((segid “BrD” and resid 63 and name HG))

((segid “BrD” and resid 68 and name HB2))

3.400
2.900
2.100 peak
24452
weight
0.10000E+01 volume
0.51423E+02 ppm1
2.437
ppm2
3.516

ASSI {24462}

((segid “BrD” and resid 63 and name HG))

((segid “BrD” and resid 15 and name HA))

2.500
2.500
2.000 peak
24462
weight
0.10000E+01 volume
0.29838E+03 ppm1
2.437
ppm2
4.645

ASSI {24482}

(segid “BrD” and resid 63 and name HD1 %)

((segid “BrD” and resid 18 and name HA))

3.600
3.200
1.900 peak
24482
weight
0.10000E+01 volume
0.38413E+02 ppm1
1.645
ppm2
3.878

ASSI {24512}

(segid “BrD” and resid 63 and name HD1 %)

((segid “BrD” and resid 68 and name HB2))

2.900
2.100
2.100 peak
24512
weight
0.10000E+01 volume
0.12238E+03 ppm1
1.649
ppm2
3.527

ASSI {24542}

(segid “BrD” and resid 63 and name HD1 %)

(segid “BrD” and resid 74 and name HD %)

3.200
2.600
2.300 peak
24542
weight
0.10000E+01 volume
0.76917E+02 ppm1
1.648
ppm2
7.006

ASSI {24682}

((segid “BrD” and resid 19 and name HA))

(segid “BrD” and resid 22 and name HD2 %)

3.100
2.400
2.400 peak
24682
weight
0.10000E+01 volume
0.84277E+02 ppm1
4.311
ppm2
1.588

ASSI {24702}

((segid “BrD” and resid 19 and name HA))

((segid “BrD” and resid 19 and name HE1))

3.100
2.400
2.400 peak
24702
weight
0.10000E+01 volume
0.84024E+02 ppm1
4.310
ppm2
3.544

ASSI {24782}

((segid “BrD” and resid 19 and name HG1))

(segid “BrD” and resid 15 and name HE %)

3.300
2.700
2.200 peak
24782
weight
0.10000E+01 volume
0.57590E+02 ppm1
1.895
ppm2
7.487

ASSI {24832}

((segid “BrD” and resid 19 and name HD1))

(segid “BrD” and resid 15 and name HE %)

2.400
1.400
1.400 peak
24832
weight
0.10000E+01 volume
0.37891E+03 ppm1
2.191
ppm2
7.469

ASSI {24842}

((segid “BrD” and resid 19 and name HD1))

(segid “BrD” and resid 63 and name HD1 %)

2.200
2.200
2.300 peak
24842
weight
0.10000E+01 volume
0.74438E+03 ppm1
2.191
ppm2
1.654

ASSI {24882}

((segid “BrD” and resid 23 and name HG1))

((segid “BrD” and resid 19 and name HG1))

2.600
1.700
1.700 peak
24882
weight
0.10000E+01 volume
0.24553E+03 ppm1
3.124
ppm2
1.888

ASSI {24892}

((segid “BrD” and resid 23 and name HG2))

((segid “BrD” and resid 19 and name HG1))

2.500
1.600
1.600 peak
24892
weight
0.10000E+01 volume
0.29588E+03 ppm1
3.068
ppm2
1.888

ASSI {25012}

((segid “BrD” and resid 21 and name HB))

(segid “BrD” and resid 106 and name HD %)

2.400
1.400
1.400 peak
25012
weight
0.10000E+01 volume
0.42303E+03 ppm1
2.486
ppm2
7.519

ASSI {25022}

((segid “BrD” and resid 21 and name HG12))

(segid “BrD” and resid 106 and name HD %)

4.300
4.300
1.200 peak
25022
weight
0.10000E+01 volume
0.12393E+02 ppm1
1.648
ppm2
7.511

ASSI {25072}

((segid “BrD” and resid 21 and name HG12))

(segid “BrD” and resid 17 and name HG2 %)

2.800
2.000
2.000 peak
25072
weight
0.10000E+01 volume
0.15768E+03 ppm1
1.648
ppm2
1.746

ASSI {25082}

((segid “BrD” and resid 21 and name HG11))

(segid “BrD” and resid 17 and name HG2 %)

2.200
1.200
1.200 peak
25082
weight
0.10000E+01 volume
0.65857E+03 ppm1
2.336
ppm2
1.746

ASSI {25092}

((segid “BrD” and resid 21 and name HG11))

(segid “BrD” and resid 102 and name HD2 %)

3.800
3.600
1.700 peak
25092
weight
0.10000E+01 volume
0.25380E+02 ppm1
2.338
ppm2
1.322

OR {25092}

((segid “BrD” and resid 21 and name HG11))

(segid “BrD” and resid 102 and name HD1 %)

ASSI {25102}

((segid “BrD” and resid 21 and name HG12))

((segid “BrD” and resid 20 and name HB1))

3.300
2.700
2.200 peak
25102
weight
0.10000E+01 volume
0.61127E+02 ppm1
1.648
ppm2
4.647

ASSI {25132}

((segid “BrD” and resid 62 and name HG1))

((segid “BrD” and resid 62 and name HG2))

2.200
1.200
1.200 peak
25132
weight
0.10000E+01 volume
0.61439E+03 ppm1
2.336
ppm2
1.498

ASSI {25192}

(segid “BrD” and resid 21 and name HD1 %)

(segid “BrD” and resid 102 and name HD2 %)

2.800
2.000
2.000 peak
25192
weight
0.10000E+01 volume
0.17249E+03 ppm1
1.205
ppm2
1.312

ASSI {25202}

(segid “BrD” and resid 21 and name HD1 %)

((segid “BrD” and resid 18 and name HB2))

3.400
2.900
2.100 peak
25202
weight
0.10000E+01 volume
0.54202E+02 ppm1
1.205
ppm2
0.902

ASSI {25272}

(segid “BrD” and resid 21 and name HG2 %)

(segid “BrD” and resid 106 and name HE %)

2.800
2.000
2.000 peak
25272
weight
0.10000E+01 volume
0.17480E+03 ppm1
1.599
ppm2
7.638

ASSI {25302}

(segid “BrD” and resid 21 and name HG2 %)

((segid “BrD” and resid 82 and name HZ))

3.500
3.100
2.000 peak
25302
weight
0.10000E+01 volume
0.42795E+02 ppm1
1.599
ppm2
6.998

ASSI {25312}

(segid “BrD” and resid 101 and name HG2 %)

((segid “BrD” and resid 30 and name HA))

3.500
3.100
2.000 peak
25312
weight
0.10000E+01 volume
0.43138E+02 ppm1
1.599
ppm2
5.444

ASSI {25322}

((segid “BrD” and resid 101 and name HA))

((segid “BrD” and resid 100 and name HA))

3.400
2.900
2.100 peak
25322
weight
0.10000E+01 volume
0.52950E+02 ppm1
4.261
ppm2
4.948

ASSI {25332}

((segid “BrD” and resid 101 and name HA))

((segid “BrD” and resid 100 and name HB1))

3.100
2.400
2.400 peak
25332
weight
0.10000E+01 volume
0.82741E+02 ppm1
4.261
ppm2
3.475

ASSI {25342}

((segid “BrD” and resid 101 and name HB))

((segid “BrD” and resid 30 and name HB2))

3.200
2.600
2.300 peak
25342
weight
0.10000E+01 volume
0.74692E+02 ppm1
2.536
ppm2
4.525

ASSI {25352}

((segid “BrD” and resid 101 and name HB))

((segid “BrD” and resid 30 and name HB1))

2.900
2.100
2.100 peak
25352
weight
0.10000E+01 volume
0.14018E+03 ppm1
2.536
ppm2
4.932

ASSI {25362}

((segid “BrD” and resid 101 and name HB))

(segid “BrD” and resid 102 and name HD1 %)

3.500
3.100
2.000 peak
25362
weight
0.10000E+01 volume
0.47210E+02 ppm1
2.536
ppm2
1.311

ASSI {25382}

((segid “BrD” and resid 98 and name HA))

(segid “BrD” and resid 102 and name HD1 %)

5.100
5.100
0.400 peak
25382
weight
0.10000E+01 volume
0.46968E+01 ppm1
4.804
ppm2
1.311

ASSI {25402}

((segid “BrD” and resid 98 and name HA))

((segid “BrD” and resid 30 and name HA))

3.300
2.700
2.200 peak
25402
weight
0.10000E+01 volume
0.66772E+02 ppm1
4.804
ppm2
5.444

ASSI {25412}

((segid “BrD” and resid 98 and name HA))

(segid “BrD” and resid 34 and name HE %)

3.700
3.400
1.800 peak
25412
weight
0.10000E+01 volume
0.30316E+02 ppm1
4.804
ppm2
7.779

ASSI {25422}

((segid “BrD” and resid 98 and name HB1))

((segid “BrD” and resid 30 and name HB2))

2.900
2.100
2.100 peak
25422
weight
0.10000E+01 volume
0.12678E+03 ppm1
4.013
ppm2
4.933

ASSI {25442}

((segid “BrD” and resid 98 and name HB1))

((segid “BrD” and resid 30 and name HB2))

3.300
2.700
2.200 peak
25442
weight
0.10000E+01 volume
0.62906E+02 ppm1
4.015
ppm2
4.533

ASSI {25452}

((segid “BrD” and resid 85 and name HB2))

(segid “BrD” and resid 99 and name HB %)

2.500
1.600
1.600 peak
25452
weight
0.10000E+01 volume
0.29534E+03 ppm1
1.620
ppm2
2.206

ASSI {25462}

((segid “BrD” and resid 85 and name HB1))

(segid “BrD” and resid 99 and name HB %)

2.800
2.000
2.000 peak
25462
weight
0.10000E+01 volume
0.15410E+03 ppm1
3.916
ppm2
2.206

ASSI {25502}

((segid “BrD” and resid 98 and name HB2))

((segid “BrD” and resid 34 and name HZ))

2.900
2.100
2.100 peak
25502
weight
0.10000E+01 volume
0.12121E+03 ppm1
3.470
ppm2
7.893

ASSI {25512}

((segid “BrD” and resid 85 and name HB2))

(segid “BrD” and resid 34 and name HE %)

2.400
1.400
1.400 peak
25512
weight
0.10000E+01 volume
0.45042E+03 ppm1
3.620
ppm2
7.779

ASSI {25522}

((segid “BrD” and resid 85 and name HB1))

(segid “BrD” and resid 34 and name HE %)

2.500
1.600
1.600 peak
25522
weight
0.10000E+01 volume
0.32323E+03 ppm1
3.917
ppm2
7.778

ASSI {25562}

(segid “BrD” and resid 101 and name HD1 %)

((segid “BrD” and resid 30 and name HB2))

3.500
3.100
2.000 peak
25562
weight
0.10000E+01 volume
0.41073E+02 ppm1
1.551
ppm2
4.532

ASSI {25572}

(segid “BrD” and resid 101 and name HD1 %)

((segid “BrD” and resid 30 and name HB1))

3.000
2.200
2.200 peak
25572
weight
0.10000E+01 volume
0.10658E+03 ppm1
1.549
ppm2
4.932

ASSI {25582}

(segid “BrD” and resid 21 and name HG2 %)

(segid “BrD” and resid 18 and name HD2 %)

3.600
3.200
1.900 peak
25582
weight
0.10000E+01 volume
0.38225E+02 ppm1
1.599
ppm2
0.408

ASSI {25642}

(segid “BrD” and resid 21 and name HG2 %)

((segid “BrD” and resid 24 and name HG2))

3.600
3.200
1.900 peak
25642
weight
0.10000E+01 volume
0.38422E+02 ppm1
1.599
ppm2
3.069

ASSI {25652}

(segid “BrD” and resid 21 and name HG2 %)

((segid “BrD” and resid 109 and name HE2))

4.000
4.000
1.500 peak
25652
weight
0.10000E+01 volume
0.20266E+02 ppm1
1.599
ppm2
3.012

ASSI {25722}

(segid “BrD” and resid 21 and name HG2 %)

((segid “BrD” and resid 109 and name HB2))

2.700
1.800
1.800 peak
25722
weight
0.10000E+01 volume
0.18743E+03 ppm1
1.599
ppm2
2.157

ASSI {25752}

(segid “BrD” and resid 101 and name HD1 %)

((segid “BrD” and resid 102 and name HB1))

3.100
2.400
2.400 peak
25752
weight
0.10000E+01 volume
0.84468E+02 ppm1
1.549
ppm2
1.970

ASSI {25812}

((segid “BrD” and resid 110 and name HB))

(segid “BrD” and resid 116 and name HD1 %)

2.300
1.300
1.300 peak
25812
weight
0.10000E+01 volume
0.55301E+03 ppm1
2.338
ppm2
1.410

ASSI {25822}

(segid “BrD” and resid 110 and name HG1 %)

(segid “BrD” and resid 78 and name HD2 %)

4.000
4.000
1.500 peak
25822
weight
0.10000E+01 volume
0.19996E+02 ppm1
1.697
ppm2
0.676

ASSI {25842}

(segid “BrD” and resid 110 and name HD1 %)

((segid “BrD” and resid 75 and name HA))

3.100
2.400
2.400 peak
25842
weight
0.10000E+01 volume
0.86474E+02 ppm1
1.154
ppm2
4.511

ASSI {25852}

(segid “BrD” and resid 110 and name HG2 %)

((segid “BrD” and resid 114 and name HA1))

4.200
4.200
1.300 peak
25852
weight
0.10000E+01 volume
0.14960E+02 ppm1
1.254
ppm2
4.569

ASSI {25952}

(segid “BrD” and resid 110 and name HG2 %)

(segid “BrD” and resid 107 and name HD %)

3.200
2.600
4.300 peak
25952
weight
0.10000E+01 volume
0.71378E+02 ppm1
1.251
ppm2
7.789

ASSI {26002}

(segid “BrD” and resid 110 and name HD1 %)

(segid “BrD” and resid 106 and name HE %)

2.500
1.600
1.600 peak
26002
weight
0.10000E+01 volume
0.29658E+03 ppm1
1.155
ppm2
7.638

ASSI {26012}

(segid “BrD” and resid 110 and name HD1 %)

(segid “BrD” and resid 106 and name HD %)

2.700
1.800
1.800 peak
26012
weight
0.10000E+01 volume
0.22034E+03 ppm1
1.155
ppm2
7.529

ASSI {26082}

(segid “BrD” and resid 110 and name HD1 %)

((segid “BrD” and resid 114 and name HB1))

2.300
1.300
1.300 peak
26082
weight
0.10000E+01 volume
0.31139E+03 ppm1
1.154
ppm2
2.182

ASSI {26092}

(segid “BrD” and resid 110 and name HG2 %)

((segid “BrD” and resid 111 and name HB1))

3.400
2.900
3.100 peak
26092
weight
0.10000E+01 volume
0.52641E+02 ppm1
3.254
ppm2
2.493

ASSI {26122}

(segid “BrD” and resid 110 and name HG2 %)

(segid “BrD” and resid 116 and name HG1 %)

3.700
3.400
1.800 peak
26122
weight
0.10000E+01 volume
0.30456E+02 ppm1
1.254
ppm2
1.918

ASSI {26132}

(segid “BrD” and resid 110 and name HD1 %)

(segid “BrD” and resid 116 and name HG1 %)

3.300
2.700
2.200 peak
26132
weight
0.10000E+01 volume
0.58180E+02 ppm1
1.154
ppm2
1.918

ASSI {26142}

(segid “BrD” and resid 110 and name HD1 %)

(segid “BrD” and resid 113 and name HB %)

2.400
1.400
1.400 peak
26142
weight
0.10000E+01 volume
0.40630E+03 ppm1
1.154
ppm2
1.978

ASSI {26212}

(segid “BrD” and resid 116 and name HG2 %)

((segid “BrD” and resid 117 and name HA))

4.200
4.200
1.300 peak
26212
weight
0.10000E+01 volume
0.13762E+02 ppm1
1.401
ppm2
5.168

ASSI {26222}

(segid “BrD” and resid 116 and name HG2 %)

((segid “BrD” and resid 79 and name HB2))

3.200
2.600
2.300 peak
26222
weight
0.10000E+01 volume
0.79045E+02 ppm1
1.401
ppm2
2.662

ASSI {26242}

(segid “BrD” and resid 116 and name HG2 %)

((segid “BrD” and resid 115 and name HB1))

3.800
3.600
1.700 peak
26242
weight
0.10000E+01 volume
0.25845E+02 ppm1
1.401
ppm2
2.175

ASSI {26252}

(segid “BrD” and resid 116 and name HG2 %)

(segid “BrD” and resid 116 and name HG1 %)

2.700
1.800
1.800 peak
26252
weight
0.10000E+01 volume
0.22212E+03 ppm1
1.401
ppm2
1.906

ASSI {26262}

(segid “BrD” and resid 116 and name HG2 %)

(segid “BrD” and resid 110 and name HD1 %)

2.400
2.400
2.100 peak
26262
weight
0.10000E+01 volume
0.45578E+03 ppm1
1.401
ppm2
1.140

ASSI {26322}

(segid “BrD” and resid 116 and name HD1 %)

((segid “BrD” and resid 107 and name HA))

3.200
2.600
2.300 peak
26322
weight
0.10000E+01 volume
0.76194E+02 ppm1
1.401
ppm2
4.427

ASSI {26372}

(segid “BrD” and resid 116 and name HD1 %)

((segid “BrD” and resid 75 and name HG1))

3.200
2.600
2.300 peak
26372
weight
0.10000E+01 volume
0.79388E+02 ppm1
1.401
ppm2
3.508

ASSI {26382}

(segid “BrD” and resid 116 and name HD1 %)

((segid “BrD” and resid 79 and name HB2))

3.400
2.900
2.100 peak
26382
weight
0.10000E+01 volume
0.54400E+02 ppm1
1.401
ppm2
2.662

ASSI {26402}

(segid “BrD” and resid 116 and name HD1 %)

((segid “BrD” and resid 110 and name HG11))

2.600
1.700
1.700 peak
26402
weight
0.10000E+01 volume
0.24061E+03 ppm1
1.401
ppm2
1.718

ASSI {26412}

(segid “BrD” and resid 116 and name HD1 %)

((segid “BrD” and resid 110 and name HG12))

2.100
1.100
1.100 peak
26412
weight
0.10000E+01 volume
0.93798E+03 ppm1
1.401
ppm2
1.637

ASSI {26432}

(segid “BrD” and resid 116 and name HD1 %)

((segid “BrD” and resid 78 and name HB2))

2.400
2.400
2.100 peak
26432
weight
0.10000E+01 volume
0.39159E+03 ppm1
1.399
ppm2
1.078

ASSI {26472}

(segid “BrD” and resid 116 and name HD1 %)

(segid “BrD” and resid 78 and name HD2 %)

4.900
4.900
0.600 peak
26472
weight
0.10000E+01 volume
0.55118E+01 ppm1
1.399
ppm2
0.680

ASSI {26482}

(segid “BrD” and resid 116 and name HD1 %)

(segid “BrD” and resid 110 and name HG2 %)

2.000
1.000
1.000 peak
26482
weight
0.10000E+01 volume
0.13707E+04 ppm1
1.399
ppm2
1.237

ASSI {26502}

(segid “BrD” and resid 63 and name HD2 %)

((segid “BrD” and resid 60 and name HA))

2.300
1.300
1.300 peak
26502
weight
0.10000E+01 volume
0.60749E+03 ppm1
1.501
ppm2
4.828

ASSI {26522}

((segid “BrD” and resid 116 and name HB))

((segid “BrD” and resid 115 and name HB1))

4.400
4.400
1.100 peak
26522
weight
0.10000E+01 volume
0.11059E+02 ppm1
2.432
ppm2
2.200

ASSI {26532}

((segid “BrD” and resid 116 and name HB))

(segid “BrD” and resid 110 and name HG2 %)

3.600
3.200
1.900 peak
26532
weight
0.10000E+01 volume
0.35446E+02 ppm1
2.409
ppm2
1.263

ASSI {26542}

((segid “BrD” and resid 116 and name HB))

(segid “BrD” and resid 110 and name HD1 %)

3.300
2.700
2.200 peak
26542
weight
0.10000E+01 volume
0.65125E+02 ppm1
2.409
ppm2
1.149

ASSI {26682}

((segid “BrD” and resid 103 and name HG2))

((segid “BrD” and resid 104 and name HA))

3.300
2.700
2.200 peak
26682
weight
0.10000E+01 volume
0.56609E+02 ppm1
2.519
ppm2
4.679

ASSI {26692}

((segid “BrD” and resid 94 and name HG1))

((segid “BrD” and resid 93 and name HB1))

5.400
5.400
0.100 peak
26692
weight
0.10000E+01 volume
0.32972E+01 ppm1
3.127
ppm2
5.038

OR {26692}

((segid “BrD” and resid 94 and name HG1))

((segid “BrD” and resid 93 and name HA))

ASSI {26702}

((segid “BrD” and resid 94 and name HG1))

((segid “BrD” and resid 95 and name HA))

3.700
3.400
1.800 peak
26702
weight
0.10000E+01 volume
0.33522E+02 ppm1
3.132
ppm2
4.448

ASSI {26752}

((segid “BrD” and resid 94 and name HG1))

((segid “BrD” and resid 97 and name HD1))

2.600
1.700
1.700 peak
26752
weight
0.10000E+01 volume
0.26306E+03 ppm1
3.127
ppm2
2.401

ASSI {26872}

((segid “BrD” and resid 86 and name HD1))

((segid “BrD” and resid 87 and name HG1))

2.700
1.800
1.800 peak
26872
weight
0.10000E+01 volume
0.22393E+03 ppm1
1.892
ppm2
3.028

ASSI {26902}

((segid “BrD” and resid 36 and name HG1))

((segid “BrD” and resid 57 and name HG2))

3.500
3.100
2.000 peak
26902
weight
0.10000E+01 volume
0.44296E+02 ppm1
2.781
ppm2
2.003

ASSI {26922}

((segid “BrD” and resid 37 and name HB1))

((segid “BrD” and resid 54 and name HA))

4.000
4.000
1.500 peak
26922
weight
0.10000E+01 volume
0.19758E+02 ppm1
2.930
ppm2
5.542

ASSI {26952}

((segid “BrD” and resid 37 and name HG1))

((segid “BrD” and resid 36 and name HA))

5.300
5.300
0.200 peak
26952
weight
0.10000E+01 volume
0.36066E+01 ppm1
2.733
ppm2
5.444

ASSI {26962}

((segid “BrD” and resid 112 and name HG2))

((segid “BrD” and resid 111 and name HG2))

3.400
2.900
2.100 peak
26962
weight
0.10000E+01 volume
0.56268E+02 ppm1
2.815
ppm2
1.898

ASSI {26972}

((segid “BrD” and resid 61 and name HB2))

(segid “BrD” and resid 58 and name HG2 %)

3.000
2.200
2.200 peak
26972
weight
0.10000E+01 volume
0.11517E+03 ppm1
2.684
ppm2
1.644

ASSI {27022}

((segid “BrD” and resid 89 and name HA))

((segid “BrD” and resid 93 and name HB2))

3.700
3.400
1.800 peak
27022
weight
0.10000E+01 volume
0.31951E+02 ppm1
5.642
ppm2
4.745

ASSI {27032}

((segid “BrD” and resid 89 and name HB1))

((segid “BrD” and resid 96 and name HB2))

3.300
2.700
2.200 peak
27032
weight
0.10000E+01 volume
0.59751E+02 ppm1
3.669
ppm2
3.117

ASSI {27082}

((segid “BrD” and resid 100 and name HB2))

(segid “BrD” and resid 101 and name HD1 %)

4.000
4.000
1.500 peak
27082
weight
0.10000E+01 volume
0.18249E+02 ppm1
3.421
ppm2
1.572

OR {27082}

((segid “BrD” and resid 100 and name HB2))

(segid “BrD” and resid 101 and name HG2 %)

ASSI {27092}

((segid “BrD” and resid 100 and name HB2))

((segid “BrD” and resid 101 and name HA))

4.000
4.000
1.500 peak
27092
weight
0.10000E+01 volume
0.18330E+02 ppm1
3.423
ppm2
4.265

ASSI {27102}

((segid “BrD” and resid 100 and name HB2))

((segid “BrD” and resid 101 and name HG11))

2.700
1.800
1.800 peak
27102
weight
0.10000E+01 volume
0.20958E+03 ppm1
3.423
ppm2
2.658

ASSI {27112}

((segid “BrD” and resid 100 and name HB2))

(segid “BrD” and resid 99 and name HB %)

3.400
2.900
2.100 peak
27112
weight
0.10000E+01 volume
0.49005E+02 ppm1
3.423
ppm2
2.206

ASSI {27142}

((segid “BrD” and resid 80 and name HD1))

((segid “BrD” and resid 77 and name HA))

3.100
2.400
2.400 peak
27142
weight
0.10000E+01 volume
0.85246E+02 ppm1
3.962
ppm2
4.963

ASSI {27172}

((segid “BrD” and resid 80 and name HD2))

((segid “BrD” and resid 84 and name HB2))

4.100
4.100
1.400 peak
27172
weight
0.10000E+01 volume
0.16098E+02 ppm1
3.913
ppm2
3.276

ASSI {27192}

((segid “BrD” and resid 80 and name HD2))

((segid “BrD” and resid 83 and name HB))

3.400
2.900
2.100 peak
27192
weight
0.10000E+01 volume
0.47687E+02 ppm1
3.912
ppm2
4.808

ASSI {27202}

((segid “BrD” and resid 80 and name HD2))

((segid “BrD” and resid 52 and name HA))

3.900
3.800
1.600 peak
27202
weight
0.10000E+01 volume
0.23078E+02 ppm1
3.902
ppm2
5.583

ASSI {27322}

((segid “BrD” and resid 56 and name HG))

(segid “BrD” and resid 81 and name HG1 %)

3.400
2.900
2.100 peak
27322
weight
0.10000E+01 volume
0.49600E+02 ppm1
2.339
ppm2
1.079

ASSI {27342}

((segid “BrD” and resid 55 and name HB1))

((segid “BrD” and resid 34 and name HA))

3.300
2.700
2.200 peak
27342
weight
0.10000E+01 volume
0.66937E+02 ppm1
2.979
ppm2
5.539

ASSI {27362}

((segid “BrD” and resid 55 and name HB1))

(segid “BrD” and resid 81 and name HG1 %)

3.900
3.800
1.600 peak
27362
weight
0.10000E+01 volume
0.24126E+02 ppm1
2.979
ppm2
1.075

ASSI {27372}

((segid “BrD” and resid 38 and name HA))

((segid “BrD” and resid 39 and name HA))

3.600
3.100
2.000 peak
27372
weight
0.10000E+01 volume
0.46121E+02 ppm1
4.163
ppm2
4.972

ASSI {27392}

((segid “BrD” and resid 55 and name HB1))

((segid “BrD” and resid 36 and name HA))

3.400
2.900
2.100 peak
27392
weight
0.10000E+01 volume
0.54954E+02 ppm1
2.979
ppm2
5.442

ASSI {27442}

(segid “BrD” and resid 69 and name HG1 %)

(segid “BrD” and resid 18 and name HD1 %)

2.400
2.400
2.100 peak
27442
weight
0.10000E+01 volume
0.37353E+03 ppm1
1.547
ppm2
1.091

ASSI {27452}

(segid “BrD” and resid 22 and name HD2 %)

(segid “BrD” and resid 25 and name HG1 %)

2.500
1.600
1.600 peak
27452
weight
0.10000E+01 volume
0.30318E+03 ppm1
1.599
ppm2
1.788

ASSI {27472}

(segid “BrD” and resid 22 and name HD2 %)

((segid “BrD” and resid 25 and name HB))

3.400
2.900
2.100 peak
27472
weight
0.10000E+01 volume
0.54052E+02 ppm1
1.599
ppm2
3.003

ASSI {27492}

(segid “BrD” and resid 22 and name HD2 %)

((segid “BrD” and resid 60 and name HA))

2.300
1.300
1.300 peak
27492
weight
0.10000E+01 volume
0.56630E+03 ppm1
1.599
ppm2
4.809

ASSI {27552}

(segid “BrD” and resid 22 and name HD2 %)

(segid “BrD” and resid 74 and name HE %)

2.300
2.300
2.200 peak
27552
weight
0.10000E+01 volume
0.54070E+03 ppm1
1.599
ppm2
7.529

ASSI {27572}

(segid “BrD” and resid 22 and name HD1 %)

((segid “BrD” and resid 60 and name HB1))

3.200
2.600
2.300 peak
27572
weight
0.10000E+01 volume
0.80681E+02 ppm1
1.645
ppm2
4.990

ASSI {27582}

(segid “BrD” and resid 22 and name HD1 %)

(segid “BrD” and resid 74 and name HE %)

3.200
1.200
1.200 peak
27582
weight
0.10000E+01 volume
0.62438E+03 ppm1
1.646
ppm2
7.529

ASSI {27632}

(segid “BrD” and resid 73 and name HD1 %)

((segid “BrD” and resid 68 and name HA))

2.500
1.600
1.600 peak
27632
weight
0.10000E+01 volume
0.31070E+03 ppm1
1.549
ppm2
5.143

ASSI {27662}

(segid “BrD” and resid 73 and name HD1 %)

((segid “BrD” and resid 70 and name HB2))

3.100
2.400
2.400 peak
27662
weight
0.10000E+01 volume
0.86052E+02 ppm1
1.549
ppm2
4.362

ASSI {27692}

(segid “BrD” and resid 73 and name HD2 %)

(segid “BrD” and resid 76 and name HB %)

2.800
2.000
2.000 peak
27692
weight
0.10000E+01 volume
0.17686E+03 ppm1
1.500
ppm2
2.106

ASSI {27712}

((segid “BrD” and resid 35 and name HA))

((segid “BrD” and resid 56 and name HB2))

2.100
1.100
1.100 peak
27712
weight
0.10000E+01 volume
0.10158E+04 ppm1
4.900
ppm2
2.004

ASSI {27722}

((segid “BrD” and resid 48 and name HA))

(segid “BrD” and resid 49 and name HG1 %)

3.000
2.200
2.200 peak
27722
weight
0.10000E+01 volume
0.11137E+03 ppm1
4.803
ppm2
1.652

ASSI {27772}

((segid “BrD” and resid 73 and name HB2))

((segid “BrD” and resid 70 and name HB2))

3.400
2.900
2.100 peak
27772
weight
0.10000E+01 volume
0.55069E+02 ppm1
2.487
ppm2
4.377

ASSI {27822}

((segid “BrD” and resid 78 and name HA))

((segid “BrD” and resid 77 and name HB1))

3.800
3.600
1.700 peak
27822
weight
0.10000E+01 volume
0.26285E+02 ppm1
3.967
ppm2
3.312

ASSI {27842}

((segid “BrD” and resid 78 and name HB2))

((segid “BrD” and resid 116 and name HG11))

3.700
3.400
1.800 peak
27842
weight
0.10000E+01 volume
0.31985E+02 ppm1
1.056
ppm2
1.954

ASSI {27872}

((segid “BrD” and resid 78 and name HB2))

((segid “BrD” and resid 79 and name HA))

4.100
4.100
1.400 peak
27872
weight
0.10000E+01 volume
0.17221E+02 ppm1
1.056
ppm2
4.411

ASSI {27882}

((segid “BrD” and resid 78 and name HG))

((segid “BrD” and resid 75 and name HA))

5.500
5.500
0.000 peak
27882
weight
0.10000E+01 volume
0.22274E+01 ppm1
1.254
ppm2
4.509

ASSI {27892}

((segid “BrD” and resid 78 and name HG))

((segid “BrD” and resid 82 and name HZ))

2.500
2.500
2.000 peak
27892
weight
0.10000E+01 volume
0.30077E+03 ppm1
1.254
ppm2
7.047

OR {27892}

((segid “BrD” and resid 78 and name HG))

(segid “BrD” and resid 82 and name HE %)

ASSI {27912}

((segid “BrD” and resid 78 and name HB2))

(segid “BrD” and resid 106 and name HD %)

3.600
3.200
1.900 peak
27912
weight
0.10000E+01 volume
0.34865E+02 ppm1
1.056
ppm2
7.532

ASSI {27942}

(segid “BrD” and resid 78 and name HD1 %)

(segid “BrD” and resid 106 and name HE %)

2.600
1.700
1.700 peak
27942
weight
0.10000E+01 volume
0.24618E+03 ppm1
0.760
ppm2
7.635

ASSI {27982}

(segid “BrD” and resid 78 and name HD2 %)

(segid “BrD” and resid 106 and name HD %)

2.200
1.200
1.200 peak
27982
weight
0.10000E+01 volume
0.76393E+03 ppm1
0.662
ppm2
7.528

ASSI {27992}

(segid “BrD” and resid 78 and name HD2 %)

((segid “BrD” and resid 83 and name HZ))

2.100
1.100
1.100 peak
27992
weight
0.10000E+01 volume
0.83417E+03 ppm1
0.662
ppm2
7.031

OR {27992}

(segid “BrD” and resid 78 and name HD2 %)

(segid “BrD” and resid 82 and name HE %)

ASSI {28012}

(segid “BrD” and resid 78 and name HD2 %)

(segid “BrD” and resid 106 and name HE %)

2.900
2.100
2.100 peak
28012
weight
0.10000E+01 volume
0.14234E+03 ppm1
0.662
ppm2
7.637

ASSI {28032}

(segid “BrD” and resid 78 and name HD1 %)

((segid “BrD” and resid 22 and name HA))

3.500
3.100
2.000 peak
28032
weight
0.10000E+01 volume
0.43609E+02 ppm1
0.761
ppm2
4.727

ASSI {28062}

(segid “BrD” and resid 78 and name HD1 %)

((segid “BrD” and resid 75 and name HA))

3.500
3.100
2.000 peak
28062
weight
0.10000E+01 volume
0.46405E+02 ppm1
0.761
ppm2
4.525

ASSI {28102}

(segid “BrD” and resid 78 and name HD1 %)

((segid “BrD” and resid 106 and name HB1))

4.700
4.700
0.800 peak
28102
weight
0.10000E+01 volume
0.77501E+01 ppm1
0.761
ppm2
3.918

ASSI {28122}

(segid “BrD” and resid 78 and name HD2 %)

((segid “BrD” and resid 106 and name HB2))

2.900
2.100
2.100 peak
28122
weight
0.10000E+01 volume
0.14435E+03 ppm1
0.662
ppm2
3.703

ASSI {28132}

(segid “BrD” and resid 78 and name HD2 %)

((segid “BrD” and resid 106 and name HB1))

2.900
2.100
2.100 peak
28132
weight
0.10000E+01 volume
0.12278E+03 ppm1
0.662
ppm2
3.919

ASSI {28192}

(segid “BrD” and resid 78 and name HD1 %)

((segid “BrD” and resid 81 and name HB))

2.700
1.800
1.800 peak
28192
weight
0.10000E+01 volume
0.18524E+03 ppm1
0.760
ppm2
2.043

ASSI {28202}

(segid “BrD” and resid 78 and name HD1 %)

(segid “BrD” and resid 22 and name HD2 %)

2.500
1.600
1.600 peak
28202
weight
0.10000E+01 volume
0.29008E+03 ppm1
0.761
ppm2
1.590

ASSI {28232}

(segid “BrD” and resid 78 and name HD1 %)

(segid “BrD” and resid 18 and name HD2 %)

3.300
2.700
2.200 peak
28232
weight
0.10000E+01 volume
0.64808E+02 ppm1
0.760
ppm2
0.424

ASSI {28262}

(segid “BrD” and resid 56 and name HD2 %)

(segid “BrD” and resid 74 and name HE %)

4.100
4.100
1.400 peak
28262
weight
0.10000E+01 volume
0.17777E+02 ppm1
1.254
ppm2
7.534

ASSI {28272}

(segid “BrD” and resid 56 and name HD2 %)

(segid “BrD” and resid 82 and name HE %)

3.400
2.900
2.100 peak
28272
weight
0.10000E+01 volume
0.54803E+02 ppm1
1.253
ppm2
7.041

OR {28272}

(segid “BrD” and resid 56 and name HD2 %)

((segid “BrD” and resid 82 and name HZ))

ASSI {28292}

(segid “BrD” and resid 56 and name HD2 %)

((segid “BrD” and resid 55 and name HA))

3.500
3.100
2.000 peak
28292
weight
0.10000E+01 volume
0.41030E+02 ppm1
1.254
ppm2
5.371

ASSI {28322}

(segid “BrD” and resid 56 and name HD2 %)

((segid “BrD” and resid 26 and name HA))

3.100
2.400
2.400 peak
28322
weight
0.10000E+01 volume
0.83493E+02 ppm1
1.254
ppm2
4.509

ASSI {28342}

(segid “BrD” and resid 56 and name HD2 %)

((segid “BrD” and resid 22 and name HA))

3.000
2.200
2.200 peak
28342
weight
0.10000E+01 volume
0.99805E+02 ppm1
1.251
ppm2
4.733

ASSI {28352}

(segid “BrD” and resid 56 and name HD2 %)

((segid “BrD” and resid 78 and name HA))

3.800
3.600
1.700 peak
28352
weight
0.10000E+01 volume
0.27666E+02 ppm1
1.254
ppm2
3.996

ASSI {28372}

(segid “BrD” and resid 56 and name HD2 %)

((segid “BrD” and resid 25 and name HB))

3.500
3.100
2.000 peak
28372
weight
0.10000E+01 volume
0.41722E+02 ppm1
1.254
ppm2
3.003

ASSI {28402}

((segid “BrD” and resid 56 and name HB1))

((segid “BrD” and resid 35 and name HG1))

3.800
3.600
1.700 peak
28402
weight
0.10000E+01 volume
0.28628E+02 ppm1
2.684
ppm2
3.451

ASSI {28412}

((segid “BrD” and resid 56 and name HB2))

((segid “BrD” and resid 35 and name HG1))

4.000
4.000
1.500 peak
28412
weight
0.10000E+01 volume
0.20241E+02 ppm1
1.993
ppm2
3.443

ASSI {28442}

((segid “BrD” and resid 102 and name HB1))

(segid “BrD” and resid 82 and name HE %)

2.900
2.100
2.100 peak
28442
weight
0.10000E+01 volume
0.13708E+03 ppm1
1.993
ppm2
7.064

ASSI {28472}

((segid “BrD” and resid 102 and name HB2))

(segid “BrD” and resid 34 and name HE %)

3.200
2.600
2.300 peak
28472
weight
0.10000E+01 volume
0.70904E+02 ppm1
$$
ppm2
7.774

ASSI {28502}

((segid “BrD” and resid 102 and name HB2))

(segid “BrD” and resid 81 and name HG2 %)

3.600
3.200
1.900 peak
28502
weight
0.10000E+01 volume
0.34445E+02 ppm1
$$
ppm2
0.766

ASSI {28532}

((segid “BrD” and resid 102 and name HG))

(segid “BrD” and resid 82 and name HE %)

2.500
1.600
1.600 peak
28532
weight
0.10000E+01 volume
0.29286E+03 ppm1
2.141
ppm2
7.041

ASSI {28562}

(segid “BrD” and resid 102 and name HD2 %)

(segid “BrD” and resid 82 and name HD %)

3.600
3.200
1.900 peak
28562
weight
0.10000E+01 volume
0.38923E+02 ppm1
1.303
ppm2
7.245

ASSI {28582}

(segid “BrD” and resid 102 and name HD2 %)

(segid “BrD” and resid 106 and name HD %)

3.100
2.400
2.400 peak
28582
weight
0.10000E+01 volume
0.86642E+02 ppm1
1.303
ppm2
7.514

ASSI {28622}

(segid “BrD” and resid 102 and name HD2 %)

((segid “BrD” and resid 28 and name HD2))

3.100
2.400
2.400 peak
28622
weight
0.10000E+01 volume
0.83600E+02 ppm1
1.303
ppm2
5.553

ASSI {28632}

(segid “BrD” and resid 102 and name HD2 %)

((segid “BrD” and resid 106 and name HA))

2.800
2.000
2.000 peak
28632
weight
0.10000E+01 volume
0.15974E+03 ppm1
1.303
ppm2
4.525

ASSI {28642}

(segid “BrD” and resid 102 and name HD2 %)

((segid “BrD” and resid 21 and name HA))

3.500
3.100
2.000 peak
28642
weight
0.10000E+01 volume
0.44750E+02 ppm1
1.303
ppm2
4.354

ASSI {28662}

(segid “BrD” and resid 102 and name HD1 %)

((segid “BrD” and resid 28 and name HD2))

3.200
2.600
2.300 peak
28662
weight
0.10000E+01 volume
0.73306E+02 ppm1
1.303
ppm2
5.574

ASSI {28702}

(segid “BrD” and resid 102 and name HD2 %)

((segid “BrD” and resid 106 and name HB1))

3.600
3.200
1.900 peak
28702
weight
0.10000E+01 volume
0.36289E+02 ppm1
1.303
ppm2
3.882

ASSI {28722}

(segid “BrD” and resid 102 and name HD2 %)

((segid “BrD” and resid 21 and name HB))

3.200
2.600
2.300 peak
28722
weight
0.10000E+01 volume
0.68526E+02 ppm1
1.305
ppm2
2.473

ASSI {28752}

(segid “BrD” and resid 102 and name HD2 %)

(segid “BrD” and resid 78 and name HD2 %)

3.400
2.900
2.100 peak
28752
weight
0.10000E+01 volume
0.55554E+02 ppm1
1.303
ppm2
0.676

ASSI {28782}

(segid “BrD” and resid 115 and name HD1 %)

(segid “BrD” and resid 17 and name HG2 %)

2.200
1.200
1.200 peak
28782
weight
0.10000E+01 volume
0.67664E+02 ppm1
1.352
ppm2
1.750

ASSI {28792}

(segid “BrD” and resid 66 and name HG2 %)

((segid “BrD” and resid 65 and name HA))

3.000
2.200
2.200 peak
28792
weight
0.10000E+01 volume
0.10599E+03 ppm1
2.141
ppm2
5.395

ASSI {28812}

(segid “BrD” and resid 115 and name HB1 %)

((segid “BrD” and resid 110 and name HA))

2.400
1.400
1.400 peak
28812
weight
0.10000E+01 volume
0.45932E+03 ppm1
2.190
ppm2
4.419

ASSI {28822}

((segid “BrD” and resid 115 and name HG)

((segid “BrD” and resid 110 and name HA))

2.800
2.000
2.000 peak
28822
weight
0.10000E+01 volume
0.18123E+03 ppm1
2.139
ppm2
4.426

ASSI {28842}

((segid “BrD” and resid 115 and name HG))

(segid “BrD” and resid 110 and name HA)

2.800
2.000
2.000 peak
28842
weight
0.10000E+01 volume
0.18123E+03 ppm1
2.139
ppm2
1.140

ASSI {28852}

(segid “BrD” and resid 115 and name HB1 %)

(segid “BrD” and resid 113 and name HB %)

3.600
3.200
1.900 peak
28852
weight
0.10000E+01 volume
0.39467E+02 ppm1
2.190
ppm2
1.978

ASSI {28872}

(segid “BrD” and resid 115 and name HB1 %)

((segid “BrD” and resid 110 and name HG12))

2.600
2.600
1.900 peak
28872
weight
0.10000E+01 volume
0.26332E+03 ppm1
2.190
ppm2
1.661

ASSI {28882}

(segid “BrD” and resid 115 and name HB1 %)

(segid “BrD” and resid 116 and name HD1 %)

2.200
1.200
1.200 peak
28882
weight
0.10000E+01 volume
0.69706E+03 ppm1
2.188
ppm2
1.424

OR {28882}

(segid “BrD” and resid 115 and name HB1 %)

(segid “BrD” and resid 116 and name HG2 %)

ASSI {28892}

(segid “BrD” and resid 115 and name HB1 %)

((segid “BrD” and resid 116 and name HG12))

4.000
4.000
1.600 peak
28892
weight
0.10000E+01 volume
0.19745E+02 ppm1
2.188
ppm2
1.583

ASSI {28912}

((segid “BrD” and resid 115 and name HA))

(segid “BrD” and resid 110 and name HG2 %)

3.400
2.900
2.100 peak
28912
weight
0.10000E+01 volume
0.51456E+02 ppm1
4.807
ppm2
1.263

ASSI {28932}

(segid “BrD” and resid 56 and name HD1 %)

((segid “BrD” and resid 35 and name HG1))

3.600
3.200
1.900 peak
28932
weight
0.10000E+01 volume
0.33849E+02 ppm1
1.549
ppm2
3.451

ASSI {28942}

(segid “BrD” and resid 56 and name HD1 %)

((segid “BrD” and resid 35 and name HG1))

2.800
2.000
2.000 peak
28942
weight
0.10000E+01 volume
0.16319E+03 ppm1
1.548
ppm2
4.900

ASSI {29012}

(segid “BrD” and resid 59 and name HE %)

((segid “BrD” and resid 81 and name HB))

2.500
2.500
2.000 peak
29012
weight
0.10000E+01 volume
0.32346E+03 ppm1
1.848
ppm2
2.018

ASSI {29042}

(segid “BrD” and resid 59 and name HE %)

((segid “BrD” and resid 54 and name HB2))

1.800
1.800
2.700 peak
29042
weight
0.10000E+01 volume
0.22344E+04 ppm1
1.848
ppm2
1.944

ASSI {29052}

(segid “BrD” and resid 59 and name HE %)

((segid “BrD” and resid 74 and name HB2))

3.900
3.800
1.600 peak
29052
weight
0.10000E+01 volume
0.23714E+02 ppm1
$$
ppm2
3.002

ASSI {29132}

(segid “BrD” and resid 59 and name HE %)

((segid “BrD” and resid 77 and name HA))

3.600
3.200
1.900 peak
29132
weight
0.10000E+01 volume
0.36305E+02 ppm1
1.847
ppm2
4.966

ASSI {29142}

(segid “BrD” and resid 59 and name HE %)

((segid “BrD” and resid 75 and name HA))

4.500
4.500
1.000 peak
29142
weight
0.10000E+01 volume
0.98620E+01 ppm1
1.847
ppm2
4.516

ASSI {29172}

(segid “BrD” and resid 54 and name HE %)

((segid “BrD” and resid 58 and name HA))

3.500
3.100
2.000 peak
29172
weight
0.10000E+01 volume
0.40557E+02 ppm1
2.536
ppm2
4.468

ASSI {29222}

(segid “BrD” and resid 54 and name HE %)

((segid “BrD” and resid 57 and name HB2))

2.800
2.000
2.000 peak
29222
weight
0.10000E+01 volume
0.17311E+03 ppm1
2.536
ppm2
2.881

ASSI {29232}

(segid “BrD” and resid 54 and name HE %)

((segid “BrD” and resid 59 and name HG2))

2.900
2.100
2.100 peak
29232
weight
0.10000E+01 volume
0.12717E+03 ppm1
2.535
ppm2
3.199

OR {29232}

(segid “BrD” and resid 54 and name HE %)

((segid “BrD” and resid 59 and name HG1))

ASSI {29292}

((segid “BrD” and resid 54 and name HB2))

(segid “BrD” and resid 81 and name HG1 %)

3.200
2.600
2.300 peak
29292
weight
0.10000E+01 volume
0.80321E+02 ppm1
1.947
ppm2
1.083

ASSI {29302}

(segid “BrD” and resid 54 and name HE %)

(segid “BrD” and resid 59 and name HE %)

3.000
2.200
2.200 peak
29302
weight
0.10000E+01 volume
0.10558E+03 ppm1
2.535
ppm2
1.863

ASSI {29382}

((segid “BrD” and resid 33 and name HA))

((segid “BrD” and resid 32 and name H23))

3.200
2.600
2.300 peak
29382
weight
0.10000E+01 volume
0.67859E+02 ppm1
4.361
ppm2
7.811

ASSI {29472}

((segid “BrD” and resid 91 and name HG1))

((segid “BrD” and resid 93 and name HB1))

3.700
3.400
1.800 peak
29472
weight
0.10000E+01 volume
0.32210E+02 ppm1
2.779
ppm2
5.018

OR {29472}

((segid “BrD” and resid 91 and name HG1))

((segid “BrD” and resid 93 and name HA))

ASSI {29602}

((segid “BrD” and resid 70 and name HA))

((segid “BrD” and resid 73 and name HB2))

3.600
3.200
1.900 peak
29602
weight
0.10000E+01 volume
0.37115E+02 ppm1
5.346
ppm2
2.483

ASSI {29622}

((segid “BrD” and resid 70 and name HB2))

((segid “BrD” and resid 9 and name HB1))

3.100
2.400
2.400 peak
29622
weight
0.10000E+01 volume
0.85748E+02 ppm1
4.360
ppm2
2.443

ASSI {29632}

((segid “BrD” and resid 70 and name HB1))

((segid “BrD” and resid 9 and name HB1))

3.600
3.200
1.900 peak
29632
weight
0.10000E+01 volume
0.38576E+02 ppm1
4.755
ppm2
2.442

ASSI {29642}

((segid “BrD” and resid 93 and name HB2))

((segid “BrD” and resid 91 and name HD1))

2.300
1.300
1.300 peak
29642
weight
0.10000E+01 volume
0.51818E+03 ppm1
4.755
ppm2
4.550

ASSI {29652}

((segid “BrD” and resid 93 and name HB1))

((segid “BrD” and resid 91 and name HD1))

2.900
2.100
2.100 peak
29652
weight
0.10000E+01 volume
0.14178E+03 ppm1
5.000
ppm2
4.550

ASSI {29662}

((segid “BrD” and resid 93 and name HB1))

((segid “BrD” and resid 94 and name HB1))

3.100
2.400
2.400 peak
29662
weight
0.10000E+01 volume
0.83013E+02 ppm1
5.000
ppm2
2.731

ASSI {29672}

((segid “BrD” and resid 93 and name HA))

((segid “BrD” and resid 91 and name HG1))

3.100
2.400
2.400 peak
29672
weight
0.10000E+01 volume
0.87723E+02 ppm1
5.003
ppm2
2.796

ASSI {29692}

((segid “BrD” and resid 108 and name HA))

((segid “BrD” and resid 111 and name HG2))

4.300
4.300
1.200 peak
29692
weight
0.10000E+01 volume
0.13111E+02 ppm1
4.804
ppm2
1.905

ASSI {29752}

((segid “BrD” and resid 30 and name HA))

(segid “BrD” and resid 102 and name HD1 %)

4.200
4.200
1.300 peak
29752
weight
0.10000E+01 volume
0.14252E+02 ppm1
5.445
ppm2
1.327

ASSI {29772}

((segid “BrD” and resid 30 and name HB2))

((segid “BrD” and resid 28 and name HE1))

3.300
2.700
2.200 peak
29772
weight
0.10000E+01 volume
0.60630E+02 ppm1
4.508
ppm2
8.090

ASSI {29782}

((segid “BrD” and resid 30 and name HB2))

(segid “BrD” and resid 101 and name HG2 %)

3.200
2.600
2.300 peak
29782
weight
0.10000E+01 volume
0.72004E+02 ppm1
4.507
ppm2
1.604

ASSI {29792}

((segid “BrD” and resid 27 and name HB1))

((segid “BrD” and resid 24 and name HB2))

3.400
2.900
2.100 peak
29792
weight
0.10000E+01 volume
0.52302E+02 ppm1
4.607
ppm2
3.077

OR {29792}

((segid “BrD” and resid 27 and name HB1))

((segid “BrD” and resid 24 and name HG2))

ASSI {29532}

((segid “BrD” and resid 66 and name HD2))

((segid “BrD” and resid 65 and name HA))

4.000
4.000
1.500 peak
29832
weight
0.10000E+01 volume
0.19067E+02 ppm1
3.631
ppm2
5.390

ASSI {29842}

((segid “BrD” and resid 66 and name HD1))

((segid “BrD” and resid 65 and name HA))

4.300
4.300
1.200 peak
29842
weight
0.10000E+01 volume
0.12737E+02 ppm1
3.673
ppm2
5.390

ASSI {29852}

((segid “BrD” and resid 66 and name HD1))

(segid “BrD” and resid 15 and name HE %)

2.800
2.000
2.000 peak
29852
weight
0.10000E+01 volume
0.17551E+03 ppm1
3.673
ppm2
7.488

ASSI {29882}

((segid “BrD” and resid 66 and name HD2))

(segid “BrD” and resid 15 and name HE %)

2.700
1.800
1.800 peak
29882
weight
0.10000E+01 volume
0.20920E+03 ppm1
3.631
ppm2
7.488

ASSI {29912}

((segid “BrD” and resid 66 and name HA))

((segid “BrD” and resid 65 and name HA))

3.500
3.100
2.000 peak
29912
weight
0.10000E+01 volume
0.40427E+02 ppm1
5.001
ppm2
5.387

ASSI {29922}

((segid “BrD” and resid 66 and name HB2))

((segid “BrD” and resid 65 and name HA))

4.700
4.700
0.800 peak
29922
weight
0.10000E+01 volume
0.75028E+01 ppm1
2.634
ppm2
5.395

ASSI {29982}

((segid “BrD” and resid 66 and name HB2))

(segid “BrD” and resid 69 and name HG1 %)

3.900
3.800
1.600 peak
29982
weight
0.10000E+01 volume
0.23433E+02 ppm1
2.633
ppm2
1.550

ASSI {29992}

((segid “BrD” and resid 66 and name HB1))

(segid “BrD” and resid 69 and name HG1 %)

3.900
3.800
1.600 peak
29992
weight
0.10000E+01 volume
0.22947E+02 ppm1
2.701
ppm2
1.551

ASSI {30022}

((segid “BrD” and resid 51 and name HA))

((segid “BrD” and resid 51 and name HD2))

5.500
5.500
0.000 peak
30022
weight
0.10000E+01 volume
0.72129E+01 ppm1
4.459
ppm2
4.011

ASSI {30062}

((segid “BrD” and resid 103 and name HB2))

((segid “BrD” and resid 82 and name HB1))

3.100
2.400
2.400 peak
30062
weight
0.10000E+01 volume
0.91298E+02 ppm1
1.896
ppm2
3.706

ASSI {30132}

((segid “BrD” and resid 116 and name HG11))

(segid “BrD” and resid 107 and name HE %)

2.900
2.100
2.100 peak
30132
weight
0.10000E+01 volume
0.12243E+03 ppm1
1.946
ppm2
7.491

ASSI {30142}

((segid “BrD” and resid 116 and name HG11))

(segid “BrD” and resid 107 and name HD %)

3.100
2.400
2.400 peak
30142
weight
0.10000E+01 volume
0.96863E+02 ppm1
1.946
ppm2
7.835

ASSI {30182}

((segid “BrD” and resid 64 and name HG1))

(segid “BrD” and resid 63 and name HD2 %)

3.500
3.100
2.000 peak
30182
weight
0.10000E+01 volume
0.45416E+02 ppm1
2.190
ppm2
1.489

ASSI {30262}

((segid “BrD” and resid 86 and name HG1))

(segid “BrD” and resid 96 and name HD %)

3.700
3.400
1.800 peak
30262
weight
0.10000E+01 volume
0.30501E+02 ppm1
1.891
ppm2
7.722

ASSI {30322}

((segid “BrD” and resid 86 and name HG2))

((segid “BrD” and resid 87 and name HG1))

3.400
2.900
2.100 peak
30322
weight
0.10000E+01 volume
0.52723E+02 ppm1
0.760
ppm2
3.028

ASSI {30362}

((segid “BrD” and resid 103 and name HB2))

(segid “BrD” and resid 99 and name HB %)

2.300
1.300
1.300 peak
30362
weight
0.10000E+01 volume
0.49767E+03 ppm1
1.892
ppm2
2.206

ASSI {30422}

((segid “BrD” and resid 86 and name HE1))

(segid “BrD” and resid 99 and name HB %)

2.500
1.600
1.600 peak
30422
weight
0.10000E+01 volume
0.29716E+03 ppm1
3.078
ppm2
2.206

ASSI {30492}

((segid “BrD” and resid 109 and name HE2))

((segid “BrD” and resid 106 and name HA))

3.000
2.200
2.200 peak
30492
weight
0.10000E+01 volume
0.11843E+03 ppm1
3.029
ppm2
4.591

ASSI {30502}

((segid “BrD” and resid 109 and name HE1))

((segid “BrD” and resid 106 and name HA))

3.800
3.600
1.700 peak
30502
weight
0.10000E+01 volume
0.25593E+02 ppm1
3.177
ppm2
4.590

ASSI {30532}

((segid “BrD” and resid 109 and name HD1))

((segid “BrD” and resid 112 and name HG1))

3.300
2.700
2.200 peak
30532
weight
0.10000E+01 volume
0.67000E+02 ppm1
1.994
ppm2
2.968

ASSI {30682}

((segid “BrD” and resid 109 and name HA))

(segid “BrD” and resid 21 and name HG2 %)

3.400
3.200
1.900 peak
30682
weight
0.10000E+01 volume
0.34166E+02 ppm1
4.656
ppm2
1.588

ASSI {30702}

((segid “BrD” and resid 109 and name HA)

((segid “BrD” and resid 112 and name HG1))

3.800
3.600
1.700 peak
30702
weight
0.10000E+01 volume
0.26014E+02 ppm1
4.653
ppm2
2.964

ASSI {30722}

((segid “BrD” and resid 109 and name HA))

((segid “BrD” and resid 112 and name HG2))

3.200
2.600
2.300 peak
30722
weight
0.10000E+01 volume
0.68767E+02 ppm1
4.653
ppm2
2.823

ASSI {30772}

((segid “BrD” and resid 104 and name HB1))

(segid “BrD” and resid 105 and name HD %)

3.200
2.600
2.300 peak
30772
weight
0.10000E+01 volume
0.81070E+02 ppm1
2.536
ppm2
7.819

ASSI {30922}

((segid “BrD” and resid 19 and name HB1))

(segid “BrD” and resid 16 and name HE %)

3.200
2.600
2.300 peak
30922
weight
0.10000E+01 volume
0.75523E+02 ppm1
2.289
ppm2
7.486

ASSI {30962}

((segid “BrD” and resid 59 and name HB2))

((segid “BrD” and resid 56 and name HA))

2.300
1.300
1.300 peak
30962
weight
0.10000E+01 volume
0.51425E+03 ppm1
2.486
ppm2
4.646

ASSI {31062}

((segid “BrD” and resid 22 and name HG))

(segid “BrD” and resid 74 and name HE %)

2.500
2.500
2.000 peak
31062
weight
0.10000E+01 volume
0.34749E+03 ppm1
2.388
ppm2
7.497

ASSI {31162}

((segid “BrD” and resid 54 and name HG1))

((segid “BrD” and resid 77 and name HA))

3.100
2.400
2.400 peak
31162
weight
0.10000E+01 volume
0.89147E+02 ppm1
3.388
ppm2
4.964

ASSI {13}

(segid “BrD” and resid 46 and name HD %)

(segid “BrD” and resid 88 and name HE %)

2.900
2.100
2.100 peak
13
weight
0.11000E+01 volume
0.62066E+02 ppm1
5.758
ppm2
7.421

ASSI {23}

(segid “BrD” and resid 47 and name HD %)

(segid “BrD” and resid 47 and name HE %)

3.200
2.600
2.300 peak
23
weight
0.11000E+01 volume
0.31210E+02 ppm1
5.758
ppm2
7.261

ASSI {43}

(segid “BrD” and resid 46 and name HE %)

(segid “BrD” and resid $$ and name HE %)

3.800
3.600
1.700 peak
43
weight
0.11000E+01 volume
0.11086E+02 ppm1
6.688
ppm2
7.421

ASSI {53}

(segid “BrD” and resid 46 and name HE %)

(segid “BrD” and resid 47 and name HE %)

4.000
4.000
1.500 peak
53
weight
0.11000E+01 volume
0.78634E+01 ppm1
6.688
ppm2
7.261

ASSI {93}

(segid “BrD” and resid 46 and name HD %)

((segid “BrD” and resid 46 and name HA))

2.600
1.700
1.700 peak
93
weight
0.11000E+01 volume
0.11748E+03 ppm1
5.758
ppm2
4.154

ASSI {103}

(segid “BrD” and resid 46 and name HE %)

((segid “BrD” and resid 88 and name HB1))

2.300
1.300
1.300 peak
103
weight
0.11000E+01 volume
0.25301E+03 ppm1
6.688
ppm2
3.527

ASSI {113}

(segid “BrD” and resid 46 and name HE %)

((segid “BrD” and resid 46 and name HB1))

3.300
2.700
2.200 peak
113
weight
0.11000E+01 volume
0.27341E+02 ppm1
6.688
ppm2
3.279

ASSI {133}

(segid “BrD” and resid 46 and name HD %)

((segid “BrD” and resid 46 and name HB2))

2.500
1.600
1.600 peak
133
weight
0.11000E+01 volume
0.14809E+03 ppm1
5.758
ppm2
3.104

ASSI {153}

(segid “BrD” and resid 46 and name HE %)

(segid “BrD” and resid 50 and name HD1 %)

3.000
2.200
2.200 peak
153
weight
0.11000E+01 volume
0.42674E+02 ppm1
6.685
ppm2
1.148

ASSI {273}

((segid “BrD” and resid 28 and name HE1))

((segid “BrD” and resid 28 and name HA))

3.600
3.200
1.900 peak
273
weight
0.11000E+01 volume
0.14248E+02 ppm1
6.129
ppm2
4.513

ASSI {333}

(segid “BrD” and resid 67 and name HD %)

(segid “BrD” and resid 68 and name HD %)

3.000
2.200
2.200 peak
333
weight
0.11000E+01 volume
0.41792E+02 ppm1
6.873
ppm2
7.772

ASSI {343}

(segid “BrD” and resid 67 and name HD %)

((segid “BrD” and resid 68 and name HA))

2.800
2.000
2.000 peak
343
weight
0.11000E+01 volume
0.67483E+02 ppm1
6.874
ppm2
5.146

ASSI {353}

(segid “BrD” and resid 67 and name HD %)

((segid “BrD” and resid 67 and name HA))

2.500
1.600
1.600 peak
353
weight
0.11000E+01 volume
0.12803E+03 ppm1
6.872
ppm2
4.678

ASSI {373}

(segid “BrD” and resid 67 and name HD %)

((segid “BrD” and resid 67 and name HB1))

2.300
1.300
1.300 peak
373
weight
0.11000E+01 volume
0.22980E+03 ppm1
6.874
ppm2
3.570

ASSI {383}

(segid “BrD” and resid 67 and name HE %)

(segid “BrD” and resid 68 and name HD %)

2.900
2.100
2.100 peak
383
weight
0.11000E+01 volume
0.60490E+03 ppm1
7.293
ppm2
7.780

ASSI {403}

(segid “BrD” and resid 67 and name HE %)

(segid “BrD” and resid 68 and name HE %)

2.400
1.400
1.400 peak
403
weight
0.11000E+01 volume
0.16842E+03 ppm1
7.293
ppm2
7.888

ASSI {433}

(segid “BrD” and resid 67 and name HE %)

((segid “BrD” and resid 67 and name HA))

3.000
2.200
2.200 peak
433
weight
0.11000E+01 volume
0.50708E+02 ppm1
7.292
ppm2
4.679

ASSI {463}

(segid “BrD” and resid 47 and name HE %)

(segid “BrD” and resid 46 and name HD %)

2.900
2.100
2.100 peak
463
weight
0.11000E+01 volume
0.56184E+02 ppm1
7.246
ppm2
5.744

ASSI {493}

(segid “BrD” and resid 47 and name HE %)

((segid “BrD” and resid 47 and name HA))

3.300
2.700
2.200 peak
493
weight
0.11000E+01 volume
0.27001E+02 ppm1
7.246
ppm2
4.711

ASSI {503}

(segid “BrD” and resid 47 and name HD %)

((segid “BrD” and resid 47 and name HA))

2.200
1.200
1.200 peak
503
weight
0.11000E+01 volume
0.29622E+03 ppm1
7.942
ppm2
4.693

ASSI {543}

((segid “BrD” and resid 32 and name HD1))

((segid “BrD” and resid 30 and name HA))

2.600
1.700
2.700 peak
543
weight
0.11000E+01 volume
0.10449E+03 ppm1
8.455
ppm2
5.452

ASSI {563}

((segid “BrD” and resid 32 and name HD1))

((segid “BrD” and resid 32 and name HB2))

2.900
2.100
2.100 peak
563
weight
0.11000E+01 volume
0.53265E+02 ppm1
8.456
ppm2
3.942

ASSI {603}

(segid “BrD” and resid 74 and name HD %)

((segid “BrD” and resid 74 and name HA))

2.500
1.600
1.600 peak
603
weight
0.11000E+01 volume
0.15470E+03 ppm1
7.013
ppm2
4.373

ASSI {843}

(segid “BrD” and resid 15 and name HD %)

((segid “BrD” and resid 15 and name HA))

1.900
0.900
0.900 peak
843
weight
0.11000E+01 volume
0.41725E+03 ppm1
7.664
ppm2
4.621

ASSI {863}

(segid “BrD” and resid 15 and name HD %)

((segid “BrD” and resid 15 and name HB1))

2.400
1.400
1.400 peak
863
weight
0.11000E+01 volume
0.19360E+03 ppm1
7.664
ppm2
3.818

ASSI {873}

(segid “BrD” and resid 15 and name HD %)

((segid “BrD” and resid 15 and name HB2))

2.000
1.000
1.000 PEAK
873 WEIGHT
0.11000E+01 volume
0.48925E+03 ppm1
7.644
ppm2
3.643

ASSI {693}

(segid “BrD” and resid 15 and name HE %)

((segid “BrD” and resid 15 and name HA))

3.500
3.100
2.000 peak
893
weight
0.11000E+01 volume
0.17907E+02 ppm1
7.478
ppm2
4.635

ASSI {903}

(segid “BrD” and resid 15 and name HE %)

((segid “BrD” and resid 15 and name HB2)

4.000
4.000
1.500 peak
903
weight
0.11000E+01 volume
0.77515E+01 ppm1
7.478
ppm2
3.643

ASSI {993}

(segid “BrD” and resid 68 and name HE %)

(segid “BrD” and resid 74 and name HD %)

3.100
2.400
2.400 peak
993
weight
0.11000E+01 volume
0.39808E+02 ppm1
7.850
ppm2
6.998

ASSI {1003}

(segid “BrD” and resid 68 and name HE %)

(segid “BrD” and resid 67 and name HD %)

2.900
2.100
2.100 peak
1003
weight
0.11000E+01 volume
0.57511E+02 ppm1
7.850
ppm2
6.896

ASSI {1063}

(segid “BrD” and resid 68 and name HE %)

((segid “BrD” and resid 68 and name HA))

2.900
2.100
2.100 peak
1063
weight
0.11000E+01 volume
0.51154E+02 ppm1
7.850
ppms
5.146

ASSI {1213}

(segid “BrD” and resid 68 and name HD %)

((segid “BrD” and resid 68 and name HB1))

2.000
1.000
1.000 peak
1213
weight
0.11000E+01 volume
0.59736E+03 ppm1
7.757
ppm2
3.673

ASSI {1263}

(segid “BrD” and resid 88 and name HD %)

(segid “BrD” and resid 46 and name HE %)

2.800
2.000
2.000 peak
1263
weight
0.11000E+01 volume
0.62764E+02 ppm1
7.618
ppm2
6.692

ASSI {1283}

(segid “BrD” and resid 88 and name HD %)

(segid “BrD” and resid 46 and name HD %)

3.100
2.400
2.400 peak
1283
weight
0.11000E+01 volume
0.38726E+02 ppm1
7.616
ppm2
5.745

ASSI {1303}

(segid “BrD” and resid 88 and name HD %)

((segid “BrD” and resid 88 and name HA))

2.200
1.200
1.200 peak
1103
weight
0.11000E+01 volume
31179E+03 ppm1
7.616
ppm2
4.999

ASSI {1313}

(segid “BrD” and resid 88 and name HE %)

((segid “BrD” and resid 88 and name HA))

2.800
2.000
2.000 peak
1313
weight
0.11000E+01 volume
0.64049E+02 ppm1
7.410
ppm2
4.999

ASSI {1323}

(segid “BrD” and resid 88 and name HD %)

((segid “BrD” and resid 46 and name HA))

3.100
2.400
2.400 peak
1123
weight
0.11000E+01 volume
0.36562E+02 ppm1
7.618
ppm2
4.154

ASSI {1363}

(segid “BrD” and resid 88 and name HD %)

((segid “BrD” and resid 88 and name HB1))

2.300
1.300
1.300 peak
1363
weight
0.11000E+01 volume
0.21010E+03 ppm1
7.616
ppm2
3.531

ASSI {1403}

(segid “BrD” and resid 96 and name HD %)

((segid “BrD” and resid 96 and name HA))

2.400
1.400
1.400 peak
1403
weight
0.11000E+01 volume
0.16299E+03 ppm1
7.711
ppm2
4.431

ASSI {1413}

(segid “BrD” and resid 96 and name HD %)

((segid “BrD” and resid 96 and name HB1))

2.400
1.400
1.400 peak
1413
weight
0.11000E+01 volume
0.19687E+03 ppm1
7.712
ppm2
3.996

ASSI {1503}

(segid “BrD” and resid 34 and name HD %)

((segid “BrD” and resid 31 and name HA))

2.200
1.200
1.200 peak
1503
weight
0.11000E+01 volume
0.26381E+03 ppm1
7.708
ppm2
4.985

ASSI {1583}

(segid “BrD” and resid 107 and name HE %)

((segid “BrD” and resid 107 and name HB1))

3.200
2.600
2.300 peak
1583
weight
0.11000E+01 volume
0.29123E+02 ppm1
7.896
ppm2
3.674

ASSI {1793}

(segid “BrD” and resid 95 and name HD %)

((segid “BrD” and resid 95 and name HB2))

3.400
2.900
2.100 peak
1793
weight
0.11000E+01 volume
0.22641E+02 ppm1
7.478
ppm2
3.352

ASSI {1833}

(segid “BrD” and resid 95 and name HD %)

((segid “BrD” and resid 95 and name HA))

2.100
1.100
1.100 peak
1833
weight
0.11000E+01 volume
0.35285E+03 ppm1
7.478
ppm2
4.446

ASSI {1883}

(segid “BrD” and resid 95 and name HE %)

((segid “BrD” and resid 95 and name HA))

3.400
2.900
2.100 peak
1883
weight
0.11000E+01 volume
0.23591E+02 ppm1
7.617
ppm2
4.446

ASSI {1943}

(segid “BrD” and resid 95 and name HE %)

((segid “BrD” and resid 32 and name HH2))

1.800
0.800
0.800 peak
1943
weight
0.11000E+01 volume
0.97461E+03 ppm1
7.619
ppm2
7.785

ASSI {1963}

(segid “BrD” and resid 95 and name HE %)

((segid “BrD” and resid 32 and name HZ2))

3.400
2.900
2.100 peak
1963
weight
0.11000E+01 volume
0.21009E+02 ppm1
7.618
ppm2
8.002

ASSI {2023}

((segid “BrD” and resid 32 and name HH2))

((segid “BrD” and resid 32 and name HZ2))

2.100
1.100
1.100 peak
2023
weight
0.11000E+01 volume
0.40155E+03 ppm1
7.757
ppm2
8.004

ASSI {2133}

((segid “BrD” and resid 82 and name HZ))

(segid “BrD” and resid 82 and name HD %)

2.600
1.700
1.700 peak
2133
weight
0.11000E+01 volume
0.10557E+03 ppm1
7.011
ppm2
7.361

ASSI {163}

(segid “BrD” and resid 46 and name HE %)

(segid “BrD” and resid 38 and name HG1 %)

3.000
2.200
2.200 peak
163
weight
0.10000E+01 volume
0.48608E+02 ppm1
4.688
ppm2
1.074

ASSI {183}

(segid “BrD” and resid 46 and name HD %)

((segid “BrD” and resid 50 and name HB))

3.100
2.400
2.400 peak
183
weight
0.10000E+01 volume
0.36832E+02 ppm1
5.758
ppm2
1.791

ASSI {253}

((segid “BrD” and resid 28 and name HE1))

(segid “BrD” and resid 101 and name HG2 %)

2.800
2.000
2.000 peak
253
weight
0.10000E+01 volume
0.66486E+02 ppm1
8.130
ppm2
1.601

ASSI {263}

((segid “BrD” and resid 28 and name HE1))

(segid “BrD” and resid 101 and name HD1 %)

2.600
1.700
1.700 peak
263
weight
0.10000E+01 volume
0.12057E+03 ppm1
8.129
ppm2
1.528

ASSI {283}

((segid “BrD” and resid 28 and name HE1))

((segid “BrD” and resid 30 and name HB1))

2.900
2.100
2.100 peak
283
weight
0.10000E+01 volume
0.53269E+02 ppm1
8.129
ppm2
4.927

ASSI {733}

(segid “BrD” and resid 74 and name HE %)

(segid “BrD” and resid 63 and name HD1 %)

3.700
3.400
1.800 peak
733
weight
0.10000E+01 volume
0.13584E+02 ppm1
7.524
ppm2
1.704

ASSI {793}

(segid “BrD” and resid 82 and name HE %)

(segid “BrD” and resid 106 and name HD %)

3.500
3.100
2.000 peak
793
weight
0.10000E+01 volume
0.18520E+02 ppm1
7.060
ppm2
7.494

ASSI {1113}

(segid “BrD” and resid 68 and name HD %)

((segid “BrD” and resid 62 and name HD2))

2.600
1.700
1.700 peak
1113
weight
0.10000E+01 volume
0.11215E+03 ppm1
7.758
ppm2
2.595

ASSI {1133}

(segid “BrD” and resid 68 and name HD %)

((segid “BrD” and resid 62 and name HB2))

2.800
2.000
2.000 peak
1133
weight
0.10000E+01 volume
0.66543E+02 ppm1
7.757
ppm2
1.718

ASSI {1173}

(segid “BrD” and resid 105 and name HD %)

(segid “BrD” and resid 102 and name HD2 %)

2.800
2.000
2.000 peak
1173
weight
0.10000E+01 volume
0.71257E+02 ppm1
7.758
ppm2
1.338

OR {1173}

(segid “BrD” and resid 105 and name HD %)

(segid “BrD” and resid 102 and name HD1 %)

ASSI {1353}

(segid “BrD” and resid 88 and name HE %)

((segid “BrD” and resid 88 and name HB1))

3.400
2.900
2.100 peak
1353
weight
0.10000E+01 volume
0.21121E+02 ppm1
7.413
ppm2
3.527

ASSI {1423}

(segid “BrD” and resid 96 and name HD %)

((segid “BrD” and resid 100 and name HB2))

3.100
2.400
2.400 peak
1423
weight
0.10000E+01 volume
0.40018E+03 ppm1
7.711
ppm2
3.454

OR {1423}

(segid “BrD” and resid 96 and name HD %)

((segid “BrD” and resid 100 and name HB2))

ASSI {1613}

(segid “BrD” and resid 107 and name HD %)

((segid “BrD” and resid 106 and name HB1))

3.600
3.200
1.900 peak
1613
weight
0.10000E+01 volume
0.14818E+02 ppm1
7.803
ppm2
3.953

ASSI {1663}

(segid “BrD” and resid 107 and name HD %)

((segid “BrD” and resid 103 and name HA))

3.100
2.400
2.400 peak
1663
weight
0.10000E+01 volume
0.38863E+02 ppm1
7.803
ppm2
3.804

ASSI {1753}

(segid “BrD” and resid 106 and name HE %)

((segid “BrD” and resid 75 and name HA))

3.700
3.400
1.800 peak
1753
weight
0.10000E+01 volume
0.13649E+02 ppm1
7.617
ppm2
4.534

ASSI {1803}

(segid “BrD” and resid 95 and name HD %)

((segid “BrD” and resid 85 and name HA))

3.300
2.700
2.200 peak
1803
weight
0.10000E+01 volume
0.27238E+02 ppm1
7.478
ppm2
4.985

ASSI {1853}

(segid “BrD” and resid 95 and name HD %)

((segid “BrD” and resid 85 and name HB1))

3.300
2.700
2.200 peak
1853
weight
0.10000E+01 volume
0.27537E+02 ppm1
7.479
ppm2
3.920

ASSI {1863}

(segid “BrD” and resid 95 and name HD %)

((segid “BrD” and resid 33 and name HB1))

3.200
2.600
2.300 peak
1863
weight
0.10000E+01 volume
0.30330E+02 ppm1
7.478
ppm2
2.047

ASSI {1903}

(segid “BrD” and resid 95 and name HE %)

((segid “BrD” and resid 33 and name HA))

3.500
3.100
2.000 peak
1903
weight
0.10000E+01 volume
0.17985E+02 ppm1
7.618
ppm2
4.343

ASSI {2003}

((segid “BrD” and resid 32 and name HH2))

(segid “BrD” and resid 95 and name HD %)

4.300
4.300
1.200 peak
2003
weight
0.10000E+01 volume
0.52192E+01 ppm1
7.757
ppm2
7.509

ASSI {2143}

((segid “BrD” and resid 82 and name HZ))

(segid “BrD” and resid 106 and name HD %)

3.400
3.600
1.700 peak
2143
weight
0.10000E+01 volume
0.11127E+02 ppm1
7.013
ppm2
7.509

ASSI {2183}

(segid “BrD” and resid 107 and name HE %)

((segid “BrD” and resid 79 and name HG1))

3.500
3.100
2.000 peak
2183
weight
0.10000E+01 volume
0.19805E+02 ppm1
7.897
ppm2
3.060

ASSI {54}

(segid “BrD” and resid 47 and name HD %)

((segid “BrD” and resid 47 and name HB1))

2.200
2.200
1.200 peak
54
weight
0.10000E+01 volume
0.95356E+03 ppm1
7.970
ppm2
3.806

ASSI {64}

(segid “BrD” and resid 47 and name HD %)

((segid “BrD” and resid 47 and name HB2))

2.300
2.300
2.300 peak
64
weight
0.10000E+01 volume
0.78871E+03 ppm1
7.970
ppm2
3.415

ASSI {144}

(segid “BrD” and resid 67 and name HD %)

(segid “BrD” and resid 67 and name HE %)

2.000
1.000
1.000 peak
144
weight
0.10000E+01 volume
0.18744E+04 ppm1
6.900
ppm2
7.321

ASSI {214}

(segid “BrD” and resid 67 and name HD %)

((segid “BrD” and resid 67 and name HB2))

2.200
1.200
1.200 peak
214
weight
0.10000E+01 volume
0.10973E+04 ppm1
6.899
ppm2
2.664

ASSI {274}

(segid “BrD” and resid 68 and name HD %)

((segid “BrD” and resid 68 and name HA))

2.400
1.400
1.400 peak
274
weight
0.10000E+01 volume
0.56412E+03 ppm1
7.778
ppm2
5.140

ASSI {294}

(segid “BrD” and resid 68 and name HD %)

((segid “BrD” and resid 68 and name HB2))

2.300
1.300
1.300 peak
294
weight
0.10000E+01 volume
0.81340E+03 ppm1
7.778
ppm2
3.546

ASSI {354}

(segid “BrD” and resid 88 and name HD %)

(segid “BrD” and resid 88 and name HE %)

2.000
1.000
1.000 peak
354
weight
0.10000E+01 volume
0.17752E+04 ppm1
7.612
ppm2
7.418

ASSI {454}

((segid “BrD” and resid 32 and name HD1))

((segid “BrD” and resid 32 and name HA))

3.000
2.200
2.200 peak
454
weight
0.10000E+01 volume
0.17821E+03 ppm1
8.491
ppm2
4.977

ASSI {474}

((segid “BrD” and resid 32 and name HD1))

((segid “BrD” and resid 32 and name HB1))

3.100
2.400
2.400 peak
424
weight
0.10000E+01 volume
0.14234E+03 ppm1
8.490
ppm2
4.213

ASSI {1694}

(segid “BrD” and resid 34 and name HE %)

((segid “BrD” and resid 34 and name HB1))

3.300
2.700
2.200 peak
1694
weight
0.10000E+01 volume
0.91431E+02 ppm1
7.781
ppm2
4.116

ASSI {1834}

(segid “BrD” and resid 96 and name HD %)

(segid “BrD” and resid 96 and name HE %)

1.900
0.900
0.900 peak
1834
weight
0.10000E+01 volume
0.29744E+04 ppm1
7.724
ppm2
7.614

ASSI {1914}

(segid “BrD” and resid 96 and name HD %)

((segid “BrD” and resid 96 and name HB2))

2.200
1.200
1.200 peak
1914
weight
0.10000E+01 volume
0.99570E+03 ppm1
7.726
ppm2
3.124

ASSI {2024}

(segid “BrD” and resid 34 and name HD %)

((segid “BrD” and resid 34 and name HB1))

2.500
1.600
1.600 peak
2024
weight
0.10000E+01 volume
0.48715E+03 ppm1
7.714
ppm2
4.115

ASSI {2084}

(segid “BrD” and resid 15 and name HD %)

(segid “BrD” and resid 15 and name HE %)

1.900
0.900
0.900 peak
2084
weight
0.10000E+01 volume
0.28924E+04 ppm1
7.689
ppm2
7.483

ASSI {2474}

(segid “BrD” and resid 96 and name HE %)

((segid “BrD” and resid 96 and name HB1))

3.300
2.700
2.200 peak
2474
weight
0.10000E+01 volume
0.86809E+02 ppm1
7.611
ppm2
4.001

ASSI {2554}

(segid “BrD” and resid 74 and name HE %)

(segid “BrD” and resid 74 and name HD %)

2.000
1.000
1.000 peak
2554
weight
0.10000E+01 volume
0.18278E+04 ppm1
7.539
ppm2
7.006

ASSI {3204

(segid “BrD” and resid 82 and name HD %)

((segid “BrD” and resid 82 and name HB1))

2.400
1.400
1.400 peak
3204
weight
0.10000E+01 volume
0.67788E+03 ppm1
7.265
ppm2
3.708

ASSI {3214}

(segid “BrD” and resid 82 and name HD %)

((segid “BrD” and resid 82 and name HB2))

2.300
1.300
1.300 peak
3214
weight
0.10000E+01 volume
0.77298E+03 ppm1
7.262
ppm2
3.572

ASSI {3304}

(segid “BrD” and resid 82 and name HD %)

(segid “BrD” and resid 82 and name HE %)

2.300
1.200
1.200 peak
3304
weight
0.10000E+01 volume
0.13642E+04 ppm1
7.262
ppm2
7.076

ASSI {3644}

(segid “BrD” and resid 74 and name HD %)

((segid “BrD” and resid 74 and name HB2))

2.400
1.400
1.400 peak
3644
weight
0.10000E+01 volume
0.64123E+03 ppm1
7.005
ppm2
3.007

ASSI {3894}

(segid “BrD” and resid 46 and name HD %)

(segid “BrD” and resid 46 and name HE %)

2.000
1.000
1.000 peak
3894
weight
0.10000E+01 volume
0.17599E+04 ppm1
5.743
ppm2
6.687

ASSI {3914}

(segid “BrD” and resid 46 and name HD %)

((segid “BrD” and resid 46 and name HB1))

2.400
1.400
1.400 peak
3914
weight
0.10000E+01 volume
0.61947E+03 ppm1
5.740
ppm2
3.304

ASSI {4064}

((segid “BrD” and resid 24 and name HD2))

((segid “BrD” and resid 24 and name HA))

3.000
2.200
2.200 peak
4064
weight
0.10000E+01 volume
0.15484E+03 ppm1
5.577
ppm2
4.586

ASSI {84}

(segid “BrD” and resid 82 and name HD %)

((segid “BrD” and resid 103 and name HA))

2.900
2.100
2.100 peak
84
weight
0.10000E+01 volume
0.22432E+03 ppm1
7.265
ppm2
1.790

ASSI {174}

(segid “BrD” and resid 67 and name HD %)

((segid “BrD” and resid 62 and name HA))

3.300
2.700
2.200 peak
174
weight
0.10000E+01 volume
0.89209E+02 ppm1
6.899
ppm2
4.490

ASSI {244}

(segid “BrD” and resid 67 and name HD %)

((segid “BrD” and resid 62 and name HB2))

2.900
2.100
2.100 peak
244
weight
0.10000E+01 volume
0.21286E+03 ppm1
6.899
ppm2
1.706

ASSI {254}

(segid “BrD” and resid 67 and name HD %)

(segid “BrD” and resid 73 and name HD1 %)

3.500
3.100
2.000 peak
254
weight
0.10000E+01 volume
0.64742E+02 ppm1
6.899
ppm2
1.545

ASSI {464}

((segid “BrD” and resid 32 and name HD1))

((segid “BrD” and resid 29 and name HA))

3.300
2.700
2.200 peak
464
weight
0.10000E+01 volume
0.97341E+02 ppm1
8.490
ppm2
4.814

ASSI {494}

((segid “BrD” and resid 32 and name HD1))

((segid “BrD” and resid 33 and name HD1))

5.500
5.500
0.000 peak
494
weight
0.10000E+01 volume
0.38880E+03 ppm1
8.490
ppm2
2.781

ASSI {504}

((segid “BrD” and resid 32 and name HD1))

((segid “BrD” and resid 33 and name HD2))

4.000
4.000
1.500 peak
504
weight
0.10000E+01 volume
0.30117E+02 ppm1
8.490
ppm2
2.211

ASSI {564}

((segid “BrD” and resid 107 and name HZ))

((segid “BrD” and resid 79 and name HB1))

3.100
2.400
2.400 peak
564
weight
0.10000E+01 volume
0.14239E+03 ppm1
8.008
ppm2
3.802

ASSI {624}

((segid “BrD” and resid 107 and name HZ))

((segid “BrD” and resid 79 and name HA))

3.000
2.200
2.200 peak
674
weight
0.10000E+01 volume
0.17938E+03 ppm1
8.058
ppm2
4.439

ASSI {634}

((segid “BrD” and resid 107 and name HZ))

(segid “BrD” and resid 107 and name HE %)

2.000
1.000
1.000 peak
634
weight
0.10000E+01 volume
0.19583E+04 ppm1
8.058
ppm2
7.927

ASSI {644}

((segid “BrD” and resid 107 and name HZ))

(segid “BrD” and resid 107 and name HD %)

2.500
2.500
2.000 peak
644
weight
0.10000E+01 volume
0.49678E+03 ppm1
8.058
ppm2
7.793

ASSI {664}

((segid “BrD” and resid 107 and name HZ))

((segid “BrD” and resid 79 and name HG1))

2.100
1.800
1.800 peak
664
weight
0.10000E+01 volume
0.34018E+03 ppm1
8.059
ppm2
2.994

ASSI {694}

((segid “BrD” and resid 32 and name HZ2))

((segid “BrD” and resid 94 and name HG1))

2.500
1.600
1.600 peak
694
weight
0.10000E+01 volume
0.45123E+03 ppm1
8.008
ppm2
3.154

ASSI {714}

((segid “BrD” and resid 32 and name HZ2))

((segid “BrD” and resid 32 and name HZ3))

2.100
2.100
2.400 peak
714
weight
0.10000E+01 volume
0.13157E+04 ppm1
8.004
ppm2
7.797

ASSI {724}

((segid “BrD” and resid 32 and name HE3))

((segid “BrD” and resid 33 and name HG2))

3.200
2.600
2.300 peak
724
weight
0.10000E+01 volume
0.11963E+03 ppm1
7.959
ppm2
−0.311

ASSI {804}

((segid “BrD” and resid 32 and name HZ2))

((segid “BrD” and resid 97 and name HB1))

2.700
1.800
1.800 peak
804
weight
0.10000E+01 volume
0.29399E+03 ppm1
7.961
ppm2
2.667

ASSI {854}

((segid “BrD” and resid 32 and name HE3))

((segid “BrD” and resid 32 and name HA))

2.900
2.100
2.100 peak
854
weight
0.10000E+01 volume
0.19220E+03 ppm1
7.957
ppm2
4.976

ASSI {864}

((segid “BrD” and resid 32 and name HE3))

((segid “BrD” and resid 33 and name HA))

2.600
1.700
1.700 peak
864
weight
0.10000E+01 volume
0.35337E+03 ppm1
7.956
ppm2
4.361

ASSI {874}

((segid “BrD” and resid 32 and name HE3))

((segid “BrD” and resid 32 and name HB1))

2.800
2.000
2.000 peak
874
weight
0.10000E+01 volume
0.24249E+03 ppm1
7.958
ppm2
3.966

ASSI {984}

(segid “BrD” and resid 107 and name HE %)

((segid “BrD” and resid 103 and name HA))

3.000
2.200
2.200 peak
984
weight
0.10000E+01 volume
0.17386E+03 ppm1
7.925
ppm2
3.742

ASSI {1024}

((segid “BrD” and resid 34 and name HZ))

((segid “BrD” and resid 102 and name HB2))

2.500
1.600
1.600 peak
1024
weight
0.10000E+01 volume
0.46463E+03 ppm1
7.926
ppm2
1.813

ASSI {1144}

((segid “BrD” and resid 34 and name HZ))

((segid “BrD” and resid 102 and name HB1))

2.900
2.100
2.100 peak
1144
weight
0.10000E+01 volume
0.21471E+03 ppm1
7.900
ppm2
1.967

ASSI {1154}

((segid “BrD” and resid 34 and name HZ))

((segid “BrD” and resid 98 and name HB1))

3.300
2.700
2.200 peak
1154
weight
0.10000E+01 volume
0.95962E+02 ppm1
7.899
ppm2
4.001

ASSI {1194}

(segid “BrD” and resid 107 and name HE %)

((segid “BrD” and resid 79 and name HA))

2.300
1.300
1.300 peak
1194
weight
0.10000E+01 volume
0.84240E+03 ppm1
7.889
ppm2
4.391

ASSI {1224}

(segid “BrD” and resid 60 and name HE %)

((segid “BrD” and resid 62 and name HD1))

3.100
2.400
2.400 peak
1224
weight
0.10000E+01 volume
0.13020E+03 ppm1
7.892
ppm2
3.172

ASSI {1314}

(segid “BrD” and resid 68 and name HE %)

(segid “BrD” and resid 73 and name HD2 %)

4.100
4.100
1.400 peak
1314
weight
0.10000E+01 volume
0.23932E+02 ppm1
7.892
ppm2
1.496

ASSI {1344}

((segid “BrD” and resid 32 and name HE3))

((segid “BrD” and resid 33 and name HD2))

3.200
2.600
2.300 peak
1344
weight
0.10000E+01 volume
0.10782E+03 ppm1
7.956
ppm2
2.212

ASSI {1434}

((segid “BrD” and resid 32 and name HZ3))

((segid “BrD” and resid 32 and name HE3))

1.800
0.800
0.800 peak
1434
weight
0.10000E+01 volume
0.39856E+04 ppm1
7.812
ppm2
7.954

ASSI {1454}

(segid “BrD” and resid 34 and name HE %)

(segid “BrD” and resid 102 and name HD1 %)

2.900
2.100
2.100 peak
1454
weight
0.10000E+01 volume
0.19468E+03 ppm1
7.808
ppm2
1.268

ASSI {1464}

(segid “BrD” and resid 107 and name HD %)

(segid “BrD” and resid 110 and name HD1 %)

2.800
2.000
2.000 peak
1464
weight
0.10000E+01 volume
0.23444E+03 ppm1
7.810
ppm2
1.153

ASSI {1474}

(segid “BrD” and resid 107 and name HD %)

(segid “BrD” and resid 116 and name HD1 %)

2.600
1.700
1.700 peak
1474
weight
0.10000E+01 volume
0.36349E+03 ppm1
7.406
ppm2
1.399

ASSI {1494}

(segid “BrD” and resid 107 and name HD %)

((segid “BrD” and resid 107 and name HA))

2.300
1.300
1.300 peak
1494
weight
0.10000E+01 volume
0.85611E+03 ppm1
7.803
ppm2
4.440

ASSI {1524}

(segid “BrD” and resid 105 and name HD %)

((segid “BrD” and resid 105 and name HB1))

2.300
1.300
1.300 peak
1524
weight
0.10000E+01 volume
0.86322E+03 ppm1
7.798
ppm2
3.741

ASSI {1564}

(segid “BrD” and resid 34 and name HE %)

((segid “BrD” and resid 28 and name HD2))

3.000
2.200
2.200 peak
1564
weight
0.10000E+01 volume
0.16881E+03 ppm1
7.794
ppm2
5.562

ASSI {1594}

((segid “BrD” and resid 32 and name HZ3))

(segid “BrD” and resid 95 and name HE %)

2.600
1.700
1.700 peak
1594
weight
0.10000E+01 volume
0.36507E+03 ppm1
7.791
ppm2
7.630

ASSI {1634}

(segid “BrD” and resid 34 and name HE %)

((segid “BrD” and resid 102 and name HB1))

3.200
2.600
2.300 peak
1634
weight
0.10000E+01 volume
0.12088E+03 ppm1
7.790
ppm2
2.032

ASSI {1644}

(segid “BrD” and resid 34 and name HE %)

((segid “BrD” and resid 98 and name HB1))

2.700
1.800
1.800 peak
1644
weight
0.10000E+01 volume
0.32157E+03 ppm1
7.784
ppm2
4.016

ASSI {1734}

(segid “BrD” and resid 107 and name HD %)

((segid “BrD” and resid 103 and name HG2))

2.400
2.400
2.100 peak
1724
weight
0.10000E+01 volume
0.57448E+03 ppm1
7.778
ppm2
2.487

ASSI {1754}

((segid “BrD” and resid 32 and name HZ3))

((segid “BrD” and resid 33 and name HB1))

2.700
1.800
1.800 peak
1754
weight
0.10000E+01 volume
0.30103E+03 ppm1
7.780
ppm2
1.088

ASSI {1764}

(segid “BrD” and resid 34 and name HE %)

(segid “BrD” and resid 81 and name HG2 %)

3.000
2.200
2.200 peak
1764
weight
0.10000E+01 volume
0.16442E+03 ppm1
7.781
ppm2
0.762

ASSI {1794}

(segid “BrD” and resid 68 and name HD %)

(segid “BrD” and resid 73 and name HD1 %)

2.600
1.700
1.700 peak
1794
weight
0.10000E+01 volume
0.42209E+03 ppm1
7.781
ppm2
1.543

ASSI {1904}

(segid “BrD” and resid 34 and name HD %)

((segid “BrD” and resid 34 and name HZ))

2.600
1.700
1.700 peak
1904
weight
0.10000E+01 volume
0.35420E+03 ppm1
7.719
ppm2
7.901

ASSI {1964}

(segid “BrD” and resid 34 and name HD %)

((segid “BrD” and resid 85 and name HB1))

3.000
2.200
2.200 peak
1954
weight
0.10000E+01 volume
0.18188E+03 ppm1
7.714
ppm2
3.920

ASSI {2124}

(segid “BrD” and resid 15 and name HD %)

(segid “BrD” and resid 63 and name HD1 %)

2.500
1.600
1.600 peak
2124
weight
0.10000E+01 volume
0.44171E+03 ppm1
7.689
ppm2
2.641

ASSI {2164}

(segid “BrD” and resid 15 and name HD %)

((segid “BrD” and resid 16 and name HA))

2.600
1.700
1.700 peak
2164
weight
0.10000E+01 volume
0.41516E+03 ppm1
7.650
ppm2
4.538

ASSI {2224}

(segid “BrD” and resid 106 and name HE %)

(segid “BrD” and resid 75 and name HE %)

3.000
2.200
2.200 peak
2224
weight
0.10000E+01 volume
0.17361E+03 ppm1
7.646
ppm2
3.666

ASSI {2234}

(segid “BrD” and resid 106 and name HE %)

((segid “BrD” and resid 78 and name HB1))

2.900
2.100
2.100 peak
2234
weight
0.10000E+01 volume
0.21480E+03 ppm1
7.647
ppm2
2.353

ASSI {2244}

(segid “BrD” and resid 106 and name HE %)

((segid “BrD” and resid 78 and name HB1))

2.600
1.700
1.700 peak
2244
weight
0.10000E+01 volume
0.42175E+03 ppm1
7.647
ppm2
1.268

OR {2244}

(segid “BrD” and resid 106 and name HE %)

((segid “BrD” and resid 78 and name HG))

ASSI {2264}

(segid “BrD” and resid 106 and name HE %)

((segid “BrD” and resid 106 and name HB1)

3.400
2.900
3.100 peak
2264
weight
0.10000E+01 volume
0.80420E+02 ppm1
7.644
ppm2
3.919

ASSI {2424}

(segid “BrD” and resid 106 and name HE %)

(segid “BrD” and resid 17 and name HG2 %)

4.000
4.000
1.500 peak
2414
weight
0.10000E+01 volume
0.29483E+02 ppm1
7.616
ppm2
1.706

ASSI {2484}

(segid “BrD” and resid 96 and name HE %)

((segid “BrD” and resid 86 and name HE1))

3.000
2.200
2.200 peak
2484
weight
0.10000E+01 volume
0.26268E+03 ppm1
7.611
ppm2
3.206

ASSI {2504}

(segid “BrD” and resid 106 and name HE %)

((segid “BrD” and resid 21 and name HG11))

2.500
1.600
1.600 peak
2504
weight
0.10000E+01 volume
0.54543E+03 ppm1
7.611
ppm2
2.374

ASSI {2514}

(segid “BrD” and resid 106 and name HE %)

((segid “BrD” and resid 18 and name HG))

2.600
1.700
1.700 peak
2514
weight
0.10000E+01 volume
0.40048E+03 ppm1
7.611
ppm2
3.374

ASSI {2574}

(segid “BrD” and resid 74 and name HE %)

(segid “BrD” and resid 63 and name HD24))

2.900
2.100
2.100 peak
2574
weight
0.10000E+01 volume
0.18991E+03 ppm1
7.539
ppm2
1.496

ASSI {2614}

(segid “BrD” and resid 106 and name HD %)

((segid “BrD” and resid 21 and name HG11))

3.200
2.600
2.300 peak
2614
weight
0.10000E+01 volume
0.10679E+03 ppm1
7.535
ppm2
2.308

ASSI {2654}

(segid “BrD” and resid 106 and name HD %)

(segid “BrD” and resid 21 and name HG2 %)

2.000
1.000
1.000 peak
3654
weight
0.10000E+01 volume
0.21819E+04 ppm1
7.541
ppm2
1.580

ASSI {2674}

(segid “BrD” and resid 74 and name HE %)

((segid “BrD” and resid 78 and name HG)

2.500
1.600
1.600 peak
2674
weight
0.10000E+01 volume
0.54850E+03 ppm1
7.529
ppm2
1.264

ASSI {2694}

(segid “BrD” and resid 74 and name HE %)

(segid “BrD” and resid 78 and name HD1 %)

2.500
1.600
1.600 peak
2694
weight
0.10000E+01 volume
0.46858E+03 ppm1
7.530
ppm2
0.780

ASSI {2754}

(segid “BrD” and resid 106 and name HD %)

((segid “BrD” and resid 106 and name HB1))

2.300
1.300
1.300 peak
2754
weight
0.10000E+01 volume
0.86816E+03 ppm1
7.524
ppm2
3.919

ASSI {2774}

(segid “BrD” and resid 106 and name HD %)

((segid “BrD” and resid 106 and name HB2))

2.400
1.400
1.400 peak
2774
weight
0.10000E+01 volume
0.63063E+03 ppm1
7.524
ppm2
3.708

ASSI {2834}

(segid “BrD” and resid 106 and name HD %)

(segid “BrD” and resid 107 and name HE %)

3.400
2.900
2.100 peak
2834
weight
0.10000E+01 volume
0.82229E+02 ppm1
7.513
ppm2
7.940

ASSI {3074}

(segid “BrD” and resid 67 and name HE %)

(segid “BrD” and resid 73 and name HD1 %)

4.000
4.000
1.500 peak
3074
weight
0.10000E+01 volume
0.26072E+02 ppm1
7.314
ppm2
1.545

ASSI {3144}

(segid “BrD” and resid 47 and name HE %)

(segid “BrD” and resid 46 and name HB2)

3.000
2.200
2.200 peak
3144
weight
0.10000E+01 volume
0.17782E+03 ppm1
7.270
ppm2
3.075

ASSI {3224}

(segid “BrD” and resid 82 and name HD %)

((segid “BrD” and resid 103 and name HG2))

3.100
2.400
2.400 peak
3224
weight
0.10000E+01 volume
0.12400E+03 ppm1
7.264
ppm2
2.595

ASSI {3234}

(segid “BrD” and resid 82 and name HD %)

((segid “BrD” and resid 103 and name HB1))

3.200
2.600
2.300 peak
3234
weight
0.10000E+01 volume
0.10914E+03 ppm1
7.266
ppm2
2.374

ASSI {3254}

(segid “BrD” and resid 82 and name HD %)

((segid “BrD” and resid 81 and name HB))

3.200
2.600
2.300 peak
3254
weight
0.10000E+01 volume
0.12188E+03 ppm1
7.266
ppm2
2.032

ASSI {3264}

(segid “BrD” and resid 82 and name HD %)

((segid “BrD” and resid 103 and name HB2))

3.100
2.400
2.400 peak
3264
weight
0.10000E+01 volume
0.13716E+03 ppm1
7.266
ppm2
1.902

ASSI {3314}

(segid “BrD” and resid 82 and name HD %)

(segid “BrD” and resid 102 and name HD2 %)

3.100
2.400
2.400 peak
3314
weight
0.10000E+01 volume
0.13023E+03 ppm1
7.261
ppm2
1.332

OR {3314}

(segid “BrD” and resid 82 and name HD %)

(segid “BrD” and resid 102 and name HD1 %)

ASSI {3354}

(segid “BrD” and resid 82 and name HE %)

((segid “BrD” and resid 106 and name HD1))

3.000
2.200
2.200 peak
3354
weight
0.10000E+01 volume
0.15234E+03 ppm1
7.069
ppm2
3.922

ASSI {3364}

(segid “BrD” and resid 82 and name HE %)

((segid “BrD” and resid 103 and name HA))

3.000
2.200
2.200 peak
$$
weight
0.10000E+01 volume
$$+03 ppm1
1.070
ppm2
3.789

ASSI {3404}

(segid “BrD” and resid 82 and name HE %)

((segid “BrD” and resid 102 and name HB2))

2.900
2.200
2.200 peak
3404
weight
0.10000E+01 volume
0.20703E+03 ppm1
7.070
ppm2
1.838

ASSI {3424}

(segid “BrD” and resid 82 and name HE %)

(segid “BrD” and resid 102 and name HD2 %)

2.400
1.400
1.400 peak
3424
weight
0.10000E+01 volume
0.67243E+03 ppm1
7.070
ppm2
1.333

ASSI {3444}

(segid “BrD” and resid 82 and name HE %)

(segid “BrD” and resid 107 and name HD %)

3.500
3.100
2.000 peak
3444
weight
0.10000E+01 volume
0.65231E+02 ppm1
7.069
ppm2
7.777

ASSI {3464}

(segid “BrD” and resid 82 and name HE %)

(segid “BrD” and resid 78 and name HD2 %)

2.900
2.100
2.100 peak
3464
weight
0.10000E+01 volume
0.20065E+03 ppm1
7.067
ppm2
0.680

ASSI {3614}

((segid “BrD” and resid 82 and name HZ))

(segid “BrD” and resid 102 and name HD2 %)

3.200
2.600
2.300 peak
3514
weight
0.10000E+01 volume
0.11748E+03 ppm1
7.021
ppm2
1.331

ASSI {3524}

((segid “BrD” and resid 82 and name HZ))

(segid “BrD” and resid 78 and name HD2 %)

2.800
2.000
2.000 peak
3524
weight
0.10000E+01 volume
0.25407E+03 ppm1
7.017
ppm2
0.681

ASSI {3674}

(segid “BrD” and resid 74 and name HD %)

(segid “BrD” and resid 68 and name HD %)

2.800
2.000
2.000 peak
3574
weight
0.10000E+01 volume
0.24275E+03 ppm1
7.005
ppm2
7.777

ASSI {3654}

(segid “BrD” and resid 74 and name HD %)

(segid “BrD” and resid 75 and name HE %)

3.300
2.700
2.200 peak
3654
weight
0.10000E+01 volume
0.90985E+02 ppm1
7.006
ppm2
2.667

ASSI {3684}

(segid “BrD” and resid 74 and name HD %)

(segid “BrD” and resid 59 and name HE %)

2.600
1.700
1.700 peak
3684
weight
0.10000E+01 volume
0.36097E+03 ppm1
7.005
ppm2
1.885

ASSI {3754}

(segid “BrD” and resid 67 and name HD %)

((segid “BrD” and resid 62 and name HG2))

3.400
2.900
2.100 peak
3754
weight
0.10000E+01 volume
0.78199E+02 ppm1
6.899
ppm2
1.496

ASSI {3804}

(segid “BrD” and resid 46 and name HE %)

((segid “BrD” and resid 53 and name HA))

3.100
2.400
2.400 peak
3804
weight
0.10000E+01 volume
0.13088E+03 ppm1
6.686
ppm2
4.701

ASSI {3944}

(segid “BrD” and resid 46 and name HD %)

(segid “BrD” and resid 38 and name HG1 %)

3.400
2.900
2.100 peak
3944
weight
0.10000E+01 volume
0.75575E+02 ppm1
5.740
ppm2
1.088

ASSI {4024}

((segid “BrD” and resid 52 and name HA))

((segid “BrD” and resid 53 and name HD2))

3.400
2.900
2.100 peak
4024
weight
0.10000E+01 volume
0.78758E+02 ppm1
5.589
ppm2
4.017

ASSI {4054}

((segid “BrD” and resid 28 and name HD2))

((segid “BrD” and resid 34 and name HZ))

2.800
2.000
2.000 peak
4054
weight
0.10000E+01 volume
0.24761E+03 ppm1
5.577
ppm2
7.924

ASSI {4124}

((segid “BrD” and resid 34 and name HA))

(segid “BrD” and resid 34 and name HD %)

2.300
1.300
1.300 peak
4114
weight
0.10000E+01 volume
0.78719E+03 ppm1
5.547
ppm2
7.713

ASSI {4204}

(segid “BrD” and resid 34 and name HD %)

(segid “BrD” and resid 56 and name HD1 %)

2.900
2.100
2.100 peak
4204
weight
0.10000E+01 volume
0.22356E+01 ppm1
7.714
ppm2
1.544

ASSI {4264}

(segid “BrD” and resid 34 and name HE %)

((segid “BrD” and resid 31 and name HA))

2.500
1.600
1.600 peak
4264
weight
0.10000E+01 volume
0.48557E+03 ppm1
7.781
ppm2
4.993

ASSI {4304}

(segid “BrD” and resid 107 and name HD %)

(segid “BrD” and resid 106 and name HD %)

2.800
2.000
2.000 peak
4304
weight
0.10000E+01 volume
0.27783E+03 ppm1
7.802
ppm2
7.517

ASSI {4324}

((segid “BrD” and resid 82 and name HZ))

((segid “BrD” and resid 103 and name HA))

3.300
2.700
2.200 peak
4324
weight
0.10000E+01 volume
0.96267E+02 ppm1
7.031
ppm2
3.790

ASSI {4364}

(segid “BrD” and resid 107 and name HE %)

((segid “BrD” and resid 78 and name HB2))

3.400
2.900
2.100 peak
4364
weight
0.10000E+01 volume
0.78224E+02 ppm1
7.8$$
ppm2
1.085

ASSI {5}

((segid “AcH” and resid 201 and name HA1))

(segid “BrD” and resid 38 and name HG1 %)

2.600
1.700
1.700 peak
5
weight
0.11000E+01 volume
0.16527E+03 ppm1
4.029
ppm2
1.081

OR {5}

((segid “AcH” and resid 201 and name HA2))

(segid “BrD” and resid 38 and name HG1 %)

ASSI {15}

((segid “AcH” and resid 201 and name HA1))

(segid “BrD” and resid 38 and name HG2 %)

2.600
1.700
1.700 peak
15
weight
0.11000E+01 volume
0.14933E+03 ppm1
4.026
ppm2
0.723

OR {15}

((segid “AcH” and resid 201 and name HA2))

(segid “Brd” and resid 38 and name HG2 %)

ASSI {25}

((segid “AcH” and resid 201 and name HA1))

(segid “BrD” and resid 43 and name HB %)

2.600
1.700
1.700 peak
25
weight
0.11000E+01 volume
0.16374E+03 ppm1
4.023
ppm2
1.609

ASSI {35}

((segid “AcH” and resid 201 and name HB2))

(segid “BrD” and resid 43 and name HB %)

2.600
1.700
1.700 peak
35
weight
0.11000E+01 volume
0.16831E+03 ppm1
3.428
ppm2
1.601

ASSI {45}

((segid “AcH” and resid 201 and name HB2))

(segid “BrD” and resid 38 and name HG1 %)

2.700
1.800
1.800 peak
45
weight
0.11000E+01 volume
0.14392E+03 ppm1
3.430
ppm2
1.074

OR {45}

((segid “AcH” and resid 201 and name HB1))

(segid “BrD” and resid 38 and name HG1 %)

ASSI {55}

((segid “AcH” and resid 201 and name HB2))

(segid “BrD” and resid 38 and name HG2 %)

2.600
1.700
1.700 peak
55
weight
0.11000E+01 volume
0.14742E+03 ppm1
3.430
ppm2
0.723

OR {55}

((segid “AcH” and resid 201 and name HB1))

(segid “BrD” and resid 38 and name HG2 %)

ASSI {65}

((segid “AcH” and resid 201 and name HD1))

(segid “BrD” and resid 43 and name HB %)

2.600
1.700
1.700 peak
65
weight
0.11000E+01 volume
0.15413E+03 ppm1
8.179
ppm2
1.608

ASSI {75}

((segid “AcH” and resid 201 and name HD2))

(segid “BrD” and resid 43 and name HB %)

2.700
1.800
1.800 peak
75
weight
0.11000E+01 volume
0.13471E+03 ppm1
7.683
ppm2
1.592

ASSI {85}

((segid “AcH” and resid 201 and name HD2))

(segid “BrD” and resid 38 and name HG1 %)

2.700
1.800
1.800 peak
85
weight
0.11000E+01 volume
0.12532E+03 ppm1
7.680
ppm2
1.066

ASSI {95}

((segid “AcH” and resid 201 and name HD2))

(segid “BrD” and resid 38 and name HG2 %)

2.700
1.800
1.800 peak
95
weight
0.11000E+01 volume
0.12585E+03 ppm1
7.690
ppm2
0.691

ASSI {105}

(segid “AcH” and resid 200 and name HA %)

(segid “BrD” and resid 38 and name HG2 %)

2.600
1.700
1.700 peak
105
weight
0.11000E+01 volume
0.16395E+01 ppm1
2.547
ppm2
0.727

ASSI {115}

(segid “AcH” and resid 200 and name HA %)

(segid “BrD” and resid 38 and name HG1 %)

2.400
1.400
1.400 peak
115
weight
0.11000E+01 volume
0.29029E+03 ppm1
2.548
ppm2
1.072

ASSI {125}

(segid “AcH” and resid 200 and name HA %)

(segid “BrD” and resid 43 and name HB %)

2.700
1.800
1.800 peak
125
weight
0.11000E+01 volume
0.13320E+03 ppm1
2.538
ppm2
1.603

ASSI {135}

(segid “AcH” and resid 200 and name HA %)

((segid “BrD” and resid 38 and name HA))

2.600
1.700
1.700 peak
135
weight
0.11000E+01 volume
0.17326E+03 ppm1
2.548
ppm2
4.209

ASSI {145}

(segid “AcH” and resid 200 and name HA %)

((segid “BrD” and resid 43 and name HA))

2.700
1.800
1.800 peak
145
weight
0.11000E+01 volume
0.12382E+03 ppm1
2.547
ppm2
5.520

ASSI {6}

((segid “AcH” and resid 201 and name HA1))

(segid “BrD” and resid 46 and name HE %)

2.700
1.800
1.800 peak
6
weight
0.11000E+01 volume
0.14312E+03 ppm1
4.007
ppm2
6.648

OR {6}

((segid “AcH” and resid 201 and name HA2))

(segid “BrD” and resid 46 and name HE %)

ASSI {16}

((segid “AcH” and resid 201 and name HA2))

(segid “BrD” and resid 95 and name HD %)

2.700
1.800
1.800 peak
16
weight
0.11000E+01 volume
0.13924E+03 ppm1
4.015
ppm2
7.481

OR {16}

((segid “AcH” and resid 201 and name HA1))

(segid “BrD” and resid 95 and name HD %)

ASSI {26}

((segid “AcH” and resid 201 and name HB1))

(segid “BrD” and resid 95 and name HD %)

2.600
1.700
1.700 peak
26
weight
0.11000E+01 volume
0.15229E+03 ppm1
3.429
ppm2
7.481

OR {26}

((segid “AcH” and resid 201 and name HB2))

(segid “BrD” and resid 95 and name HD %)

ASSI {36}

((segid “AcH” and resid 201 and name HA1))

(segid “BrD” and resid 88 and name HD %)

2.500
1.600
1.600 peak
36
weight
0.11000E+01 volume
0.18465E+03 ppm1
4.015
ppm2
7.637

OR {36}

((segid “AcH” and resid 201 and name HA2))

(segid “BrD” and resid 88 and name HD %)

ASSI {46}

((segid “AcH” and resid 201 and name HB2))

(segid “BrD” and resid 88 and name HD %)

2.700
1.800
1.800 peak
46
weight
0.11000E+01 volume
0.13938E+03 ppm1
3.429
ppm2
7.637

OR {46}

((segid “AcH” and resid 201 and name HB1))

(segid “BrD” and resid 88 and name HD %)

ASSI {56}

((segid “AcH” and resid 201 and name HA2))

(segid “BrD” and resid 95 and name HE %)

2.600
1.700
1.700 peak
56
weight
0.11000E+01 volume
0.16075E+03 ppm1
4.015
ppm2
7.585

OR {56}

((segid “AcH” and resid 201 and name HA1))

(segid “BrD” and resid 95 and name HE %)

ASSI {66}

((segid “AcH” and resid 201 and name HB1))

(segid “BrD” and resid 95 and name HE %)

2.600
1.700
1.700 peak
66
weight
0.11000E+01 volume
0.16293E+03 ppm1
3.429
ppm2
7.585

ASSI {76}

(segid “AcH” and resid 200 and name HA %)

(segid “BrD” and resid 95 and name HE %)

2.700
1.800
1.800 peak
76
weight
0.11000E+01 volume
0.14049E+03 ppm1
2.542
ppm2
7.585

ASSI {86}

((segid “AcH” and resid 201 and name HA1))

(segid “BrD” and resid 88 and name HE %)

2.600
1.700
1.700 peak
86
weight
0.11000E+01 volume
0.16796E+03 ppm1
4.019
ppm2
7.358

OR {86}

((segid “AcH” and resid 201 and name HA2))

(segid “BrD” and resid 88 and name HE %)

ASSI {96}

((segid “AcH” and resid 201 and name HB2))

(segid “BrD” and resid 88 and name HE %)

2.600
1.700
1.700 peak
96
weight
0.11000E+01 volume
0.16763E+03 ppm1
3.430
ppm2
7.358

OR {96}

((segid “AcH” and resid 201 and name HB1))

(segid “BrD” and resid 88 and name HE %)

ASSI {7}

(segid “AcH” and resid 200 and name HA %)

((segid “AcH” and resid 201 and name HN))

2.700
1.800
1.800 peak
7
weight
0.11000E+01 volume
0.12000E+03 ppm1
3.430
ppm2
7.358

ASSI {17}

(segid “AcH” and resid 200 and name HA %)

((segid “AcH” and resid 201 and name HA1))

2.700
1.800
1.800 peak
17
weight
0.11000E+01 volume
0.12000E+03 ppm1
3.430
ppm2
7.358

ASSI {27}

((segid “AcH” and resid 201 and name HB2))

((segid “AcH” and resid 201 and name HD1))

2.700
1.800
1.800 peak
27
weight
0.11000E+01 volume
0.12000E+03 ppm1
3.430
ppm2
7.358

OR {27}

((segid “AcH” and resid 201 and name HB1))

((segid “AcH” and resid 201 and name HD1))

ASSI {37}

((segid “AcH” and resid 201 and name HB1))

((segid “AcH” and resid 201 and name HN))

2.700
1.800
1.800 peak
37
weight
0.11000E+01 volume
0.12000E+03 ppm1
3.430
ppm2
7.358

OR {37}

((segid “AcH” and resid 201 and name HB2))

((segid “AcH” and resid 201 and name HN))

ASSI {47}

((segid “AcH” and resid 201 and name HA2))

((segid “AcH” and resid 201 and name HN))

2.700
1.800
1.800 peak
47
weight
0.11000E+01 volume
0.12000E+03 ppm1
3.430
ppm2
7.358

OR {47}

((segid “AcH” and resid 201 and name HA1))

((segid “AcH” and resid 201 and name HN))

TABLE 3

Ambiguous NOE-derived Inter-proton Distance Restraints

ASSI {311}

((segid “BrD” and resid 32 and name HN))

((segid “BrD” and resid 35 and name HO1))

4.200
4.200
1.300 peak
311
weight
0.10000E+01 volume
0.35526E+02 ppm1
7.738 ppm2
3.430

OR {311}

((segid “BrD” and resid 32 and name HN))

((segid “BrD” and resid 28 and name HB2))

ASSI {391}

((segid “BrD” and resid 106 and name HN))

(segid “BrD” and resid 105 and name HD%)

3.100
2.400
2.400 peak
391
weight
0.10000E+01 volume
0.20417E+03 ppm1
9.740 ppm2
7.778

OR {391}

((segid “BrD” and resid 106 and name HN))

((segid “BrD” and resid 104 and name HN))

OR {391}

((segid “BrD” and resid 106 and name HN))

((segid “BrD” and resid 107 and name HD%)

ASSI {731}

((segid “BrD” and resid 100 and name HN))

((segid “BrD” and resid 97 and name HA))

3.300
2.700
2.200 peak
731
weight
0.10000E+01 volume
0.15089E+03 ppm1
8.669 ppm2
4.801

OR {731}

((segid “BrD” and resid 100 and name HN))

((segid “BrD” and resid 98 and name HA))

ASSI {781}

((segid “BrD” and resid 97 and name HN))

((segid “BrD” and resid 98 and name HB2))

4.000
4.000
1.500 peak
781
weight
0.10000E+01 volume
0.45845E+02 ppm1
8.673 ppm2
3.671

OR {781}

((segid “BrD” and resid 97 and name HN))

((segid “BrD” and resid 85 and name HB2))

ASSI {831}

((segid “BrD” and resid 96 and name HN))

((segid “BrD” and resid 97 and name HB1))

3.200
2.600
2.300 peak
831
weight
0.10000E+01 volume
0.17645E+03 ppm1
7.977 ppm2
2.728

OR {831}

((segid “BrD” and resid 78 and name HN))

((segid “BrD” and resid 79 and name HB2))

OR {831}

((segid “BrD” and resid 77 and name HN))

((segid “BrD” and resid 79 and name HB2))

OR {831}

((segid “BrD” and resid 96 and name HN))

((segid “BrD” and resid 92 and name HB1))

OR {831}

((segid “BrD” and resid 78 and name HN))

(segid “BrD” and resid 79 and name HB1))

ASSI {1051}

((segid “BrD” and resid 76 and name HN))

(segid “BrD” and resid 73 and name HB2))

5.000
5.000
0.500 peak
1051
weight
0.10000E+01 volume
0.12021E+02 ppm1
6.612 ppm2
2.497

OR {1051}

((segid “BrD” and resid 76 and name HN))

((segid “BrD” and resid 80 and name HB2))

ASSI {1101}

((segid “BrD” and resid 75 and name HN))

((segid “BrD” and resid 18 and name HQ))

5.500
5.500
0.000 peak
1101
weight
0.10000E+01 volume
0.63178E+01 ppm1
9.107 ppm2
2.294

OR {1101}

((segid “BrD” and resid 75 and name HN))

((segid “BrD” and resid 72 and name HD1))

OR {1101}

((segid “BrD” and resid 98 and name HN))

(segid “BrD” and resid 31 and name HB%)

ASSI {1551}

((segid “BrD” and resid 21 and name HN))

((segid “BrD” and resid 24 and name HE22))

3.400
2.900
2.100 peak
1551
weight
0.10000E+01 volume
0.12608E+03 ppm1
8.544 ppm2
7.515

OR {1551}

((segid “BrD” and resid 21 and name HN))

(segid “BrD” and resid 106 and name HD%)

OR {1551}

((segid “BrD” and resid 109 and name HN))

(segid “BrD” and resid 106 and name HD%)

OR {1551}

((segid “BrD” and resid 64 and name HN))

(segid “BrD” and resid 15 and name HE%)

ASSI {1781}

((segid “BrD” and resid 26 and name HN))

((segid “BrD” and resid 22 and name HB1))

3.400
2.900
2.100 peak
1781
weight
0.10000E+01 volume
0.12549E+03 ppm1
9.196 ppm2
2.672

OR {1781}

((segid “BrD” and resid 26 and name HN))

((segid “BrD” and resid 56 and name HB1))

ASSI {2721}

((segid “BrD” and resid 104 and name HN))

((segid “BrD” and resid 105 and name HB2))

3.300
2.700
2.200 peak
2721
weight
0.10000E+01 volume
0.14753E+03 ppm1
7.763 ppm2
3.671

OR {2721}

((segid “BrD” and resid 104 and name HN))

((segid “BrD” and resid 107 and name HB1))

OR {2721 }

((segid “BrD” and resid 104 and name HN))

((segid “BrD” and resid 106 and name HB2))

ASSI {3261}

((segid “BrD” and resid 16 and name HN))

((segid “BrD” and resid 13 and name HG2))

4.100
4.100
1.400 peak
3261
weight
0.10000E+01 volume
0.41938E+02 ppm1
8.794 ppm2
2.954

OR {3261}

((segid “BrD” and resid 16 and name HN))

((segid “BrD” and resid 11 and name HB1))

ASSI {3361}

((segid “BrD” and resid 13 and name HN))

((segid “BrD” and resid 13 and name HG1))

4.100
4.100
1.400 peak
3361
weight
0.10000E+01 volume
0.40202E+02 ppm1
8.809 ppm2
3.103

OR {3361}

((segid “BrD” and resid 14 and name HN))

((segid “BrD” and resid 13 and name HG1))

ASSI {3371}

((segid “BrD” and resid 13 and name HN))

((segid “BrD” and resid 13 and name HG2))

3.300
2.700
2.200 peak
3371
weight
0.10000E+01 volume
0.14859E+03 ppm1
8.802 ppm2
2.987

OR {3371}

((segid “BrD” and resid 14 and name HN))

((segid “BrD” and resid 13 and name HG2))

ASSI {3401}

((segid “BrD” and resid 13 and name HN))

((segid “BrD” and resid 11 and name HD1))

3.800
3.600
1.700 peak
3401
weight
0.10000E+01 volume
0.67241E+02 ppm1
8.810 ppm2
4.485

OR {3401}

((segid “BrD” and resid 14 and name HN))

((segid “BrD” and resid 11 and name HD1))

OR {3401}

((segid “BrD” and resid 14 and name HN))

((segid “BrD” and resid 16 and name HA))

ASSI {3671}

((segid “BrD” and resid 102 and name HN))

((segid “BrD” and resid 30 and name HB1))

3.800
3.600
1.700 peak
3671
weight
0.10000E+01 volume
0.58619E+02 ppm1
9.156 ppm2
4.934

OR {3671}

((segid “BrD” and resid 102 and name HN))

((segid “BrD” and resid 100 and name HA))

ASSI {3841}

((segid “BrD” and resid 103 and name HN))

((segid “BrD” and resid 100 and name HA))

3.000
2.200
2.200 peak
3841
weight
0.10000E+01 volume
0.24821E+03 ppm1
8.661 ppm2
4.900

OR {3841}

((segid “BrD” and resid 40 and name HN))

((segid “BrD” and resid 41 and name HB))

ASSI {3911}

((segid “BrD” and resid 59 and name HN))

((segid “BrD” and resid 57 and name HB1))

3.500
3.100
2.000 peak
3911
weight
0.10000E+01 volume
0.98690E+02 ppm1
8.496 ppm2
2.969

OR {3911}

((segid “BrD” and resid 59 and name HN))

((segid “BrD” and resid 61 and name HG1))

OR {3911}

((segid “BrD” and resid 31 and name HN))

((segid “BrD” and resid 29 and name HG1))

OR {3911}

((segid “BrD” and resid 59 and name HN))

((segid “BrD” and resid 55 and name HB1))

ASSI {4131}

((segid “BrD” and resid 25 and name HN))

((segid “BrD” and resid 21 and name HB))

3.800
3.600
1.700 peak
4131
weight
0.10000E+01 volume
0.59139E+02 ppm1
9.133 ppm2
2.465

OR {4131}

((segid “BrD” and resid 25 and name HN))

((segid “BrD” and resid 26 and name HB1))

ASSI {6751}

((segid “BrD” and resid 111 and name HN))

((segid “BrD” and resid 111 and name HD1))

3.200
2.600
2.300 peak
6751
weight
0.10000E+01 volume
0.16212E+03 ppm1
8.168 ppm2
2.204

OR {6751}

((segid “BrD” and resid 111 and name HN))

((segid “BrD” and resid 109 and name HB2))

ASSI {6861}

((segid “BrD” and resid 21 and name HN))

((segid “BrD” and resid 24 and name HG2))

3.400
2.900
2.100 peak
6861
weight
0.10000E+01 volume
0.12194E+03 ppm1
8.574 ppm2
3.072

OR {6861}

((segid “BrD” and resid 21 and name HN))

((segid “BrD” and resid 24 and name HB2))

OR {6861}

((segid “BrD” and resid 21 and name HN))

((segid “BrD” and resid 23 and name HG2))

OR {6861}

((segid “BrD” and resid 21 and name HN))

((segid “BrD” and resid 24 and name HB1))

ASSI {6871}

((segid “BrD” and resid 21 and name HN))

((segid “BrD” and resid 22 and name HB1))

3.300
2.700
2.200 peak
6871
weight
0.10000E+01 volume
0.15992E+03 ppm1
8.573 ppm2
2.702

OR {6871}

((segid “BrD” and resid 64 and name HN))

((segid “BrD” and resid 61 and name HB2))

OR {6871}

((segid “BrD” and resid 109 and name HN))

((segid “BrD” and resid 112 and name HB1))

OR {6871}

((segid “BrD” and resid 64 and name HN))

((segid “BrD” and resid 22 and name HB1))

ASSI {6911}

((segid “BrD” and resid 86 and name HN))

((segid “BrD” and resid 86 and name HE1))

3.700
3.400
1.800 peak
6911
weight
0.10000E+01 volume
0.78171E+02 ppm1
8.423 ppm2
3.044

OR {6911}

((segid “BrD” and resid 86 and name HN))

((segid “BrD” and resid 87 and name HG1))

ASSI {7011}

((segid “BrD” and resid 52 and name HN))

((segid “BrD” and resid 80 and name HN))

4.200
4.200
1.300 peak
7031
weight
0.10000E+01 volume
0.35356E+02 ppm1
9.003 ppm2
7.979

OR {7031}

((segid “BrD” and resid 52 and name HN))

((segid “BrD” and resid 77 and name HN))

OR {7031}

((segid “BrD” and resid 52 and name HN))

((segid “BrD” and resid 47 and name HD%)

ASSI {7121}

((segid “BrD” and resid 89 and name HD21))

((segid “BrD” and resid 85 and name HA))

3.700
3.400
1.800 peak
7121
weight
0.10000E+01 volume
0.76700E+02 ppm1
8.923 ppm2
5.021

OR {7121}

((segid “BrD” and resid 89 and name HD21))

((segid “BrD” and resid 93 and name HB1))

ASSI {7131}

((segid “BrD” and resid 89 and name HD22))

((segid “BrD” and resid 85 and name HA))

3.600
3.200
1.900 peak
7131
weight
0.10000E+01 volume
0.84076E+02 ppm1
8.416 ppm2
5.021

OR {7131}

((segid “BrD” and resid 89 and name HD22))

((segid “BrD” and resid 93 and name HB1))

ASSI {7251}

((segid “BrD” and resid 26 and name HN))

(segid “BrD” and resid 22 and name HD2%)

3.000
2.200
2.200 peak
7251
weight
0.10000E+01 volume
0.24489E+03 ppm1
9.196 ppm2
1.549

OR {7251}

((segid “BrD” and resid 26 and name HN))

(segid “BrD” and resid 56 and name HD1%)

ASSI {8181}

((segid “BrD” and resid 57 and name HN))

(segid “BrD” and resid 25 and name HD2%)

4.100
4.100
1.400 peak
8181
weight
0.10000E+01 volume
0.42960E+02 ppm1
9.359 ppm2
1.667

OR {8181}

((segid “BrD” and resid 57 and name HN))

(segid “BrD” and resid 58 and name HG2%)

OR {8181}

((segid “BrD” and resid 57 and name HN))

(segid “BrD” and resid 22 and name HD1%)

ASSI {8211}

((segid “BrD” and resid 114 and name HN))

((segid “BrD” and resid 111 and name HB2))

4.000
4.000
1.500 peak
8211
weight
0.10000E+01 volume
0.47918E+02 ppm1
8.377 ppm2
2.177

OR {8211}

((segid “BrD” and resid 114 and name HN))

((segid “BrD” and resid 110 and name HB))

ASSI {8261}

((segid “BrD” and resid 28 and name HN))

((segid “BrD” and resid 25 and name HB))

4.200
4.200
3.300 peak
8261
weight
0.10000E+01 volume
0.36987E+02 ppm1
8.166 ppm2
3.014

OR {8261}

((segid “BrD” and resid 28 and name HN))

((segid “BrD” and resid 29 and name HG1))

ASSI {8291}

((segid “BrD” and resid 28 and name HN))

(segid “BrD” and resid 25 and name HG2%)

4.400
4.400
1.100 peak
8291
weight
0.10000E+01 volume
0.24897E+02 ppm1
8.164 ppm2
1.639

OR {8291}

((segid “BrD” and resid 28 and name HN))

((segid “BrD” and resid 26 and name HG1))

ASSI {8381}

((segid “BrD” and resid 61 and name HN))

(segid “BrD” and resid 58 and name HG2%)

3.400
2.900
2.100 peak
8381
weight
0.10000E+01 volume
0.13119E+03 ppm1
8.743 ppm2
1.674

OR {8381}

((segid “BrD” and resid 61 and name HN))

(segid “BrD” and resid 22 and name HD2%)

OR {8381}

((segid “BrD” and resid 38 and name HN))

(segid “BrD” and resid 43 and name HB%)

ASSI {8391}

((segid “BrD” and resid 38 and name HN))

((segid “BrD” and resid 39 and name HG1))

4.000
4.000
1.500 peak
8391
weight
0.10000E+01 volume
0.45211E+02 ppm1
8.743 ppm2
2.008

OR {8391}

((segid “BrD” and resid 61 and name HN))

((segid “BrD” and resid 57 and name HG2))

ASSI {8511}

((segid “BrD” and resid 50 and name HN))

((segid “BrD” and resid 53 and name HG1))

3.700
3.400
1.800 peak
8511
weight
0.10000E+01 volume
0.70210E+02 ppm1
8.564 ppm2
2.814

OR {8511}

((segid “BrD” and resid 50 and name HN))

((segid “BrD” and resid 53 and name HB1))

OR {8511}

((segid “BrD” and resid 50 and name HN))

((segid “BrD” and resid 87 and name HB1))

OR {8511}

((segid “BrD” and resid 46 and name HN))

((segid “BrD” and resid 83 and name HG1))

OR {8511}

((segid “BrD” and resid 46 and name HN))

((segid “BrD” and resid 53 and name HB1))

ASSI {8751}

((segid “BrD” and resid 58 and name HN))

((segid “BrD” and resid 37 and name HG1))

3.400
2.900
2.100 peak
8751
weight
0.10000E+01 volume
0.12911E+03 ppm1
10.051 ppm2
2.747

OR {8751}

((segid “BrD” and resid 58 and name HN))

(segid “BrD” and resid 35 and name HE%)

ASSI {8861}

((segid “BrD” and resid 9 and name HN))

((segid “BrD” and resid 8 and name HG1))

3.600
3.200
1.900 peak
8861
weight
0.10000E+01 volume
0.86153E+02 ppm1
9.052 ppm2
2.631

OR {8861}

((segid “BrD” and resid 5 and name HN))

((segid “BrD” and resid 7 and name HB1))

ASSI {8891}

((segid “BrD” and resid 103 and name HN))

((segid “BrD” and resid 100 and name HA))

4.000
4.000
1.500 peak
8891
weight
0.10000E+01 volume
0.44524E+02 ppm1
8.668 ppm2
4.917

OR {8891}

((segid “BrD” and resid 112 and name HN))

((segid “BrD” and resid 113 and name HA))

ASSI {8901}

((segid “BrD” and resid 112 and name HN))

((segid “BrD” and resid 108 and name HA))

3.400
2.900
2.100 peak
8901
weight
0.10000E+01 volume
0.11279E+03 ppm1
8.668 ppm2
4.805

OR {8901}

((segid “BrD” and resid 103 and name HN))

((segid “BrD” and resid 82 and name HA))

OR {8901}

((segid “BrD” and resid 103 and name HN))

((segid “BrD” and resid 98 and name HA))

ASSI {8911}

((segid “BrD” and resid 103 and name HN))

((segid “BrD” and resid 99 and name HA))

3.500
3.100
2.000 peak
8911
weight
0.10000E+01 volume
0.10762E+03 ppm1
8.668 ppm2
4.426

OR {8911}

((segid “BrD” and resid 112 and name HN))

((segid “BrD” and resid 110 and name HA))

ASSI {8941}

((segid “BrD” and resid 103 and name HN))

(segid “BrD” and resid 99 and name HB%)

2.900
2.100
2.100 peak
8941
weight
0.10000E+01 volume
0.29817E+03 ppm1
8.667 ppm2
2.178

OR {8941}

((segid “BrD” and resid 103 and name HN))

((segid “BrD” and resid 102 and name HG))

OR {8941}

((segid “BrD” and resid 112 and name HN))

((segid “BrD” and resid 109 and name HB2))

ASSI {9011}

((segid “BrD” and resid 105 and name HN))

((segid “BrD” and resid 104 and name HD1))

3.100
2.400
2.400 peak
9011
weight
0.10000E+01 volume
0.22428E+03 ppm1
8.487 ppm2
2.294

OR {9011}

((segid “BrD” and resid 105 and name HN))

((segid “BrD” and resid 103 and name HB1))

ASSI {9031}

((segid “BrD” and resid 105 and name HN))

((segid “BrD” and resid 102 and name HB2))

3.800
3.600
1.700 peak
9031
weight
0.10000E+01 volume
0.62331E+02 ppm1
8.487 ppm2
1.805

OR {9031}

((segid “BrD” and resid 105 and name HN))

(segid “BrD” and resid 25 and name HG1%)

ASSI {9091}

((segid “BrD” and resid 109 and name HN))

((segid “BrD” and resid 106 and name HB2))

3.800
3.600
1.700 peak
9091
weight
0.10000E+01 volume
0.66318E+02 ppm1
8.574 ppm2
3.678

OR {9091}

((segid “BrD” and resid 109 and name HN))

((segid “BrD” and resid 107 and name HB1))

OR {9091}

((segid “BrD” and resid 109 and name HN))

((segid “BrD” and resid 105 and name HB2))

OR {9091}

((segid “BrD” and resid 64 and name HN))

((segid “BrD” and resid 68 and name HB1))

ASSI {9101}

((segid “BrD” and resid 64 and name HN))

((segid “BrD” and resid 63 and name HB2))

2.900
2.100
2.100 peak
9101
weight
0.10000E+01 volume
0.30416E+03 ppm1
8.573 ppm2
2.498

OR {9101}

((segid “BrD” and resid 21 and name HN))

((segid “BrD” and resid 21 and name HB))

ASSI {9111}

((segid “BrD” and resid 21 and name HN))

(segid “BrD” and resid 17 and name HG2%)

3.500
3.100
2.000 peak
9111
weight
0.10000E+01 volume
0.10029E+03 ppm1
8.574 ppm2
1.725

OR {9111}

((segid “BrD” and resid 109 and name HN))

(segid “BrD” and resid 17 and name HG2%)

ASSI {9161}

((segid “BrD” and resid 106 and name HN))

((segid “BrD” and resid 104 and name HB1))

3.900
3.800
1.600 peak
9161
weight
0.10000E+01 volume
0.56197E+02 ppm1
9.740 ppm2
2.560

OR {9161}

((segid “BrD” and resid 106 and name HN))

((segid “BrD” and resid 103 and name HG2))

ASSI {9171}

((segid “BrD” and resid 106 and name HN))

((segid “BrD” and resid 109 and name HB1))

4.000
4.000
1.500 peak
9171
weight
0.10000E+01 volume
0.47295E+02 ppm1
9.739 ppm2
2.318

OR {9171}

((segid “BrD” and resid 106 and name HN))

((segid “BrD” and resid 103 and name HB1))

OR {9171}

((segid “BrD” and resid 106 and name HN))

((segid “BrD” and resid 104 and name HD1))

OR {9171}

((segid “BrD” and resid 106 and name HN))

((segid “BrD” and resid 21 and name HG11))

ASSI {9181}

((segid “BrD” and resid 106 and name HN))

((segid “BrD” and resid 102 and name HG))

4.100
4.100
1.400 peak
9181
weight
0.10000E+01 volume
0.40041E+02 ppm1
9.742 ppm2
2.150

OR {9181}

((segid “BrD” and resid 106 and name HN))

((segid “BrD” and resid 109 and name HB2))

ASSI {9191}

((segid “BrD” and resid 106 and name HN))

((segid “BrD” and resid 102 and name HB1))

4.200
4.200
1.300 peak
9191
weight
0.10000E+01 volume
0.35794E+02 ppm1
9.740 ppm2
2.002

OR {9191}

((segid “BrD” and resid 106 and name HN))

((segid “BrD” and resid 109 and name HD1))

ASSI {9201}

((segid “BrD” and resid 106 and name HN))

((segid “BrD” and resid 102 and name HB2))

3.900
3.400
1.600 peak
9201
weight
0.10000E+01 volume
0.56492E+02 ppm1
9.739 ppm2
1.786

OR {9201}

((segid “BrD” and resid 106 and name HN))

(segid “BrD” and resid 25 and name HG1%)

ASSI {9241}

((segid “BrD” and resid 84 and name HN))

((segid “BrD” and resid 80 and name HD2))

3.700
3.400
1.800 peak
9241
weight
0.10000E+01 volume
0.69670E+02 ppm1
9.464 ppm2
3.908

OR {9241}

((segid “BrD” and resid 84 and name HN))

((segid “BrD” and resid 85 and name HB1))

ASSI {9251}

((segid “BrD” and resid 63 and name HN))

((segid “BrD” and resid 62 and name HG1))

3.700
3.400
1.800 peak
9251
weight
0.10000E+01 volume
0.78060E+02 ppm1
9.463 ppm2
2.352

OR {9251}

((segid “BrD” and resid 84 and name HN))

((segid “BrD” and resid 80 and name HG1))

OR {9251}

((segid “BrD” and resid 84 and name HN))

((segid “BrD” and resid 86 and name HB1))

ASSI {9281}

((segid “BrD” and resid 84 and name HN))

((segid “BrD” and resid 80 and name HN))

3.300
2.700
2.200 peak
9281
weight
0.10000E+01 volume
0.13642E+03 ppm1
9.462 ppm2
8.001

OR {9281}

((segid “BrD” and resid 84 and name HN))

((segid “BrD” and resid 107 and name HZ))

OR {9281}

((segid “BrD” and resid 63 and name HN))

((segid “BrD” and resid 70 and name HN))

ASSI {9311}

((segid “BrD” and resid 22 and name HN))

((segid “BrD” and resid 22 and name HA))

4.200
4.200
1.300 peak
9311
weight
0.10000E+01 volume
0.35671E+02 ppm1
9.472 ppm2
4.678

OR {9311}

((segid “BrD” and resid 84 and name HN))

((segid “BrD” and resid 80 and name HA))

ASSI {9341}

((segid “BrD” and resid 63 and name HN))

(segid “BrD” and resid 74 and name HE%)

2.900
2.100
2.100 peak
9341
weight
0.10000E+01 volume
0.30219E+03 ppm1
9.456 ppm2
7.510

OR {9341}

((segid “BrD” and resid 22 and name HN))

(segid “BrD” and resid 106 and name HD%)

ASSI {9371}

((segid “BrD” and resid 22 and name HN))

((segid “BrD” and resid 24 and name HG2))

3.400
2.900
2.100 peak
9371
weight
0.10000E+01 volume
0.12105E+03 ppm1
9.456 ppm2
3.066

OR {9371}

((segid “BrD” and resid 22 and name HN))

((segid “BrD” and resid 23 and name HG2))

OR {9371}

((segid “BrD” and resid 63 and name HN))

((segid “BrD” and resid 59 and name HG2))

ASSI {9441}

((segid “BrD” and resid 109 and name HN))

((segid “BrD” and resid 109 and name HB2))

3.900
3.800
1.600 peak
9441
weight
0.10000E+01 volume
0.55505E+02 ppm1
8.557 ppm2
2.173

OR {9441}

((segid “BrD” and resid 64 and name HN))

((segid “BrD” and resid 64 and name HG1))

ASSI {9451}

((segid “BrD” and resid 21 and name HN))

((segid “BrD” and resid 24 and name HG2))

3.900
3.800
1.600 peak
9451
weight
0.10000E+01 volume
0.53501E+02 ppm1
8.556 ppm2
3.108

OR {9451}

((segid “BrD” and resid 21 and name HN))

((segid “BrD” and resid 24 and name HB2))

OR {9451}

((segid “BrD” and resid 21 and name HN))

((segid “BrD” and resid 23 and name HG1))

OR {9451}

((segid “BrD” and resid 21 and name HN))

((segid “BrD” and resid 24 and name HB1))

ASSI {9461}

((segid “BrD” and resid 64 and name HN))

((segid “BrD” and resid 61 and name HB1))

3.700
3.400
1.800 peak
9461
weight
0.10000E+01 volume
0.72347E+02 ppm1
8.544 ppm2
2.851

OR {9461}

((segid “BrD” and resid 21 and name HN))

((segid “BrD” and resid 23 and name HB2))

ASSI {9491}

((segid “BrD” and resid 21 and name HN))

((segid “BrD” and resid 19 and name HB2))

3.300
2.700
2.200 peak
9491
weight
0.10000E+01 volume
0.14127E+03 ppm1
8.556 ppm2
1.929

OR {9491}

((segid “BrD” and resid 109 and name HN))

((segid “BrD” and resid 111 and name HG2))

OR {9491}

((segid “BrD” and resid 109 and name HN))

(segid “BrD” and resid 113 and name HB%)

OR {9491}

((segid “BrD” and resid 64 and name HN))

((segid “BrD” and resid 19 and name HB2))

ASSI {9501}

((segid “BrD” and resid 21 and name HN))

(segid “BrD” and resid 17 and name HG2%)

3.300
2.700
2.200 peak
9501
weight
0.10000E+01 volume
0.14396E+03 ppm1
8.556 ppm2
1.762

OR {9501}

((segid “BrD” and resid 109 and name HN))

(segid “BrD” and resid 17 and name HG2%)

OR {9501}

((segid “BrD” and resid 21 and name HN))

(segid “BrD” and resid 25 and name HG1%)

ASSI {9531}

((segid “BrD” and resid 17 and name HN))

((segid “BrD” and resid 13 and name HA))

3.600
3.200
1.900 peak
9531
weight
0.10000E+01 volume
0.86367E+02 ppm1
8.695 ppm2
4.805

OR {9531}

((segid “BrD” and resid 112 and name HN))

((segid “BrD” and resid 108 and name HA))

OR {9531}

((segid “BrD” and resid 103 and name HN))

((segid “BrD” and resid 82 and name HA))

ASSI {9561}

((segid “BrD” and resid 103 and name HN))

((segid “BrD” and resid 106 and name HB2))

3.300
2.700
2.200 peak
9561
weight
0.10000E+01 volume
0.15504E+03 ppm1
8.696 ppm2
3.661

OR {9561}

((segid “BrD” and resid 103 and name HN))

((segid “BrD” and resid 82 and name HB1))

OR {9561}

((segid “BrD” and resid 103 and name HN))

((segid “BrD” and resid 105 and name HB2))

OR {9561}

((segid “BrD” and resid 103 and name HN))

((segid “BrD” and resid 107 and name HB1))

ASSI {9631}

((segid “BrD” and resid 99 and name HN))

((segid “BrD” and resid 100 and name HA))

3.900
3.800
1.600 peak
9631
weight
0.10000E+01 volume
0.54041E+02 ppm1
8.936 ppm2
4.947

OR {9631}

((segid “BrD” and resid 99 and name HN))

((segid “BrD” and resid 30 and name HB1))

ASSI {9641}

((segid “BrD” and resid 99 and name HN))

((segid “BrD” and resid 101 and name HG11))

3.900
3.800
1.600 peak
9641
weight
0.10000E+01 volume
0.56248E+02 ppm1
8.935 ppm2
2.460

OR {9641}

((segid “BrD” and resid 99 and name HN))

((segid “BrD” and resid 97 and name HG1))

ASSI {9651}

((segid “BrD” and resid 99 and name HN))

((segid “BrD” and resid 103 and name HB2))

5.500
5.500
0.000 peak
9651
weight
0.10000E+01 volume
0.57216E+02 ppm1
8.936 ppm2
1.920

OR {9651}

((segid “BrD” and resid 99 and name HN))

((segid “BrD” and resid 86 and name HG1))

ASSI {9721}

((segid “BrD” and resid 64 and name HN))

((segid “BrD” and resid 64 and name HE1))

4.000
4.000
1.500 peak
9721
weight
0.10000E+01 volume
0.46621E+02 ppm1
8.586 ppm2
3.626

OR {9721}

((segid “BrD” and resid 64 and name HN))

((segid “BrD” and resid 65 and name HB1))

ASSI {9731}

((segid “BrD” and resid 21 and name HN))

((segid “BrD” and resid 109 and name HE1))

3.800
3.600
1.700 peak
9731
weight
0.10000E+01 volume
0.59335E+02 ppm1
8.584 ppm2
3.146

OR {9731}

((segid “BrD” and resid 21 and name HN))

((segid “BrD” and resid 23 and name HD1))

ASSI {9801}

((segid “BrD” and resid 103 and name HN))

((segid “BrD” and resid 106 and name HB2))

4.600
4.600
0.900 peak
9801
weight
0.10000E+01 volume
0.19838E+02 ppm1
8.669 ppm2
3.659

OR {9801}

((segid “BrD” and resid 17 and name HN))

((segid “BrD” and resid 15 and name HB2))

OR {9801}

((segid “BrD” and resid 103 and name HN))

((segid “BrD” and resid 82 and name HB1))

OR {9801}

((segid “BrD” and resid 103 and name HN))

((segid “BrD” and resid 105 and name HB2))

ASSI {9821}

((segid “BrD” and resid 17 and name HN))

((segid “BrD” and resid 13 and name HD2))

3.700
3.400
1.800 peak
9871
weight
0.10000E+01 volume
0.70791E+02 ppm1
8.668 ppm2
2.943

OR {9821}

((segid “BrD” and resid 17 and name HN))

((segid “BrD” and resid 13 and name HB1))

ASSI {9831}

((segid “BrD” and resid 17 and name HN))

((segid “BrD” and resid 18 and name HG))

3.000
2.200
2.200 peak
9831
weight
0.10000E+01 volume
0.24267E+03 ppm1
8.669 ppm2
2.284

OR {9831}

((segid “BrD” and resid 40 and name HN))

((segid “BrD” and resid 39 and name HD1))

OR {9831}

((segid “BrD” and resid 103 and name HN))

((segid “BrD” and resid 104 and name HD1))

ASSI {9841}

((segid “BrD” and resid 103 and name HN))

((segid “BrD” and resid 102 and name HB1))

4.500
4.500
1.000 peak
9841
weight
0.10000E+01 volume
0.24419E+02 ppm1
8.669 ppm2
1.973

OR {9841}

((segid “BrD” and resid 17 and name HN))

(segid “BrD” and resid 113 and name HB%)

ASSI {9861}

((segid “BrD” and resid 17 and name HN))

((segid “BrD” and resid 14 and name HB2))

3.500
3.100
2.000 peak
9861
weight
0.10000E+01 volume
0.99899E+02 ppm1
8.668 ppm2
2.135

OR {9861}

((segid “BrD” and resid 17 and name HN))

((segid “BrD” and resid 18 and name HB1))

OR {9861}

((segid “BrD” and resid 103 and name HN))

((segid “BrD” and resid 104 and name HG1))

ASSI {10081}

((segid “BrD” and resid 24 and name HN))

((segid “BrD” and resid 21 and name HB))

4.300
4.300
1.200 peak
10081
weight
0.10000E+01 volume
0.28058E+02 ppm1
8.666 ppm2
2.481

OR {10081}

((segid “BrD” and resid 24 and name HN))

((segid “BrD” and resid 26 and name HB1))

ASSI {10181}

((segid “BrD” and resid 16 and name HN))

((segid “BrD” and resid 14 and name HB2))

4.100
4.100
1.400 peak
10181
weight
0.10000E+01 volume
0.40626E+02 ppm1
8.785 ppm2
2.129

OR {10181}

((segid “BrD” and resid 16 and name HN))

((segid “BrD” and resid 18 and name HB1))

ASSI {10201}

((segid “BrD” and resid 16 and name HN))

((segid “BrD” and resid 19 and name HB2))

3.900
3.800
1.600 peak
10201
weight
0.10000E+01 volume
0.57921E+02 ppm1
8.791 ppm2
1.963

OR {10201}

((segid “BrD” and resid 14 and name HN))

(segid “BrD” and resid 113 and nane HB%)

ASSI {10241}

((segid “BrD” and resid 75 and name HN))

((segid “BrD” and resid 78 and name HB1))

3.900
3.800
1.600 peak
10241
weight
0.10000E+01 volume
0.50050E+02 ppm1
9.106 ppm2
1.347

OR {10241}

((segid “BrD” and resid 75 and name HN))

(segid “BrD” and resid 115 and name HD1%)

ASSI {10281}

((segid “BrD” and resid 98 and name HN))

((segid “BrD” and resid 97 and name HG1))

4.000
4.000
1.500 peak
10281
weight
0.10000E+01 volume
0.43323E+02 ppm1
9.106 ppm2
2.456

OR {10281}

((segid “BrD” and resid 98 and name HN))

((segid “BrD” and resid 97 and name HD1))

OR {10281}

((segid “BrD” and resid 98 and name HN))

((segid “BrD” and resid 101 and name HG11))

ASSI {10331}

((segid “BrD” and resid 96 and name HN))

((segid “BrD” and resid 97 and name HG1))

3.900
3.800
1.600 peak
10331
weight
0.10000E+01 volume
0.52285E+02 ppm1
7.977 ppm2
2.412

OR {10331}

((segid “BrD” and resid 77 and name HN))

((segid “BrD” and resid 73 and name HG))

OR {10331}

((segid “BrD” and resid 96 and name HN))

((segid “BrD” and resid 97 and name HD1))

OR {10331}

((segid “BrD” and resid 77 and name HN))

((segid “BrD” and resid 72 and name HB1))

ASSI {10381}

((segid “BrD” and resid 78 and name HN))

((segid “BrD” and resid 116 and name HG11))

3.900
3.800
1.600 peak
10381
weight
0.10000E+01 volume
0.51654E+02 ppm1
7.996 ppm2
1.884

OR {10381}

((segid “BrD” and resid 77 and name HN))

((segid “BrD” and resid 116 and name HG11))

ASSI {10391}

((segid “BrD” and resid 78 and name HN))

(segid “BrD” and resid 22 and name HD2%)

3.500
3.100
2.000 peak
10391
weight
0.10000E+01 volume
0.99200E+02 ppm1
7.996 ppm2
1.604

OR {10391}

((segid “BrD” and resid 55 and name HN))

(segid “BrD” and resid 22 and name HD2%)

OR {10391}

((segid “BrD” and resid 78 and name HN))

(segid “BrD” and resid 25 and name HG2%)

OR {10391}

((segid “BrD” and resid 77 and name HN))

(segid “BrD” and resid 22 and name HD2%)

OR {10391}

((segid “BrD” and resid 55 and name HN))

(segid “BrD” and resid 25 and name HG2%)

ASSI {10411}

((segid “BrD” and resid 77 and name HN))

((segid “BrD” and resid 80 and name HB2))

2.800
2.000
2.000 peak
10411
weight
0.10000E+01 volume
0.43395E+03 ppm1
7.996 ppm2
2.456

OR {10411}

((segid “BrD” and resid 78 and name HN))

((segid “BrD” and resid 80 and name HG2))

ASSI {10431}

((segid “BrD” and resid 55 and name HN))

((segid “BrD” and resid 37 and name HG1))

2.600
1.700
1.700 peak
10431
weight
0.10000E+01 volume
0.60264E+03 ppm1
7.996 ppm2
2.722

OR {10431}

((segid “BrD” and resid 78 and name HN))

((segid “BrD” and resid 79 and name HB2))

ASSI {10471}

((segid “BrD” and resid 96 and name HN))

((segid “BrD” and resid 94 and name HA))

3.900
3.800
1.600 peak
10471
weight
0.10000E+01 volume
0.52287E+02 ppm1
7.984 ppm2
4.814

OR {10472}

((segid “BrD” and resid 96 and name HN))

((segid “BrD” and resid 86 and name HA))

OR {10471}

((segid “BrD” and resid 96 and name HN))

((segid “BrD” and resid 92 and name HA))

ASSI {10501}

((segid “BrD” and resid 80 and name HN))

((segid “BrD” and resid 80 and name HA))

2.800
2.000
2.000 peak
10501
weight
0.10000E+01 volume
0.42726E+03 ppm1
7.974 ppm2
4.691

OR {10501}

((segid “BrD” and resid 80 and name HN))

((segid “BrD” and resid 76 and name HA))

ASSI {10541}

((segid “BrD” and resid 55 and name HN))

(segid “BrD” and resid 58 and name HG2%)

3.500
3.100
2.000 peak
10541
weight
0.10000E+01 volume
0.11084E+03 ppm1
7.974 ppm2
1.670

OR {10541}

((segid “BrD” and resid 78 and name HN))

(segid “BrD” and resid 22 and name HD1%)

OR {10541}

((segid “BrD” and resid 78 and name HN))

((segid “BrD” and resid 110 and name HG12))

OR {10541}

((segid “BrD” and resid 55 and name HN))

(segid “BrD” and resid 43 and name HB%)

OR {10541}

((segid “BrD” and resid 78 and name HN))

(segid “BrD” and resid 25 and name HG2%)

OR {10541}

((segid “BrD” and resid 55 and name HN))

(segid “BrD” and resid 25 and name HG2%)

OR {10541}

((segid “BrD” and resid 78 and name HN))

(segid “BrD” and resid 63 and name HD1%)

OR {10541}

((segid “BrD” and resid 55 and name HN))

(segid “BrD” and resid 22 and name HD1%)

ASSI {10551}

((segid “BrD” and resid 78 and name HN))

((segid “BrD” and resid 78 and name HB2))

3.400
2.900
2.100 peak
10551
weight
0.10000E+01 volume
0.13253E+03 ppm1
7.975 ppm2
1.068

OR {10551}

((segid “BrD” and resid 60 and name HN))

(segid “BrD” and resid 61 and name HG1%)

OR {10551}

((segid “BrD” and resid 78 and name HN))

(segid “BrD” and resid 81 and name HG1%)

OR {10551}

((segid “BrD” and resid 55 and name HN))

(segid “BrD” and resid 81 and name HG1%)

ASSI {10611}

((segid “BrD” and resid 56 and name HN))

((segid “BrD” and resid 34 and name HB2))

3.100
2.400
2.400 peak
10611
weight
0.10000E+01 volume
0.21458E+03 ppm1
9.680 ppm2
3.116

OR {10611}

((segid “BrD” and resid 56 and name HN))

((segid “BrD” and resid 59 and name HG2))

ASSI {10631}

((segid “BrD” and resid 82 and name HN))

(segid “BrD” and resid 83 and name HG2%)

3.500
3.100
2.000 peak
10631
weight
0.10000E+01 volume
0.97408E+02 ppm1
6.982 ppm2
1.909

OR {10631}

((segid “BrD” and resid 82 and name HN))

((segid “BrD” and resid 103 and name HB2))

ASSI {10781}

((segid “BrD” and resid 80 and name HN))

(segid “BrD” and resid 83 and name HG2%)

3.900
3.800
1.600 peak
10781
weight
0.10000E+01 volume
0.57791E+02 ppm1
8.006 ppm2
1.932

OR {10781}

((segid “BrD” and resid 80 and name HN))

((segid “BrD” and resid 116 and name HG11))

OR {10781}

((segid “BrD” and resid 80 and name HN))

((segid “BrD” and resid 54 and name HB2))

ASSI {10811}

((segid “BrD” and resid 80 and name HN))

(segid “BrD” and resid 81 and name HG1%)

3.600
3.300
1.900 peak
10811
weight
0.10000E+01 volume
0.94805E+02 ppm1
8.005 ppm2
1.064

OR {10811}

((segid “BrD” and resid 80 and name HN))

((segid “BrD” and resid 78 and name HB2))

ASSI {10901}

((segid “BrD” and resid 85 and name HN))

((segid “BrD” and resid 86 and name HG1))

3.800
3.600
1.700 peak
10901
weight
0.10000E+01 volume
0.64876E+02 ppm1
7.516 ppm2
1.805

OR {10901}

((segid “BrD” and resid 85 and name HN))

(segid “BrD” and resid 83 and name HG2%)

ASSI {10981}

((segid “BrD” and resid 87 and name HN))

((segid “BrD” and resid 85 and name HA))

3.900
3.600
1.600 peak
10981
weight
0.10000E+01 volume
0.57856E+02 ppm1
8.572 ppm2
5.005

OR {10981}

((segid “BrD” and resid 87 and name HN))

((segid “BrD” and resid 88 and name HA))

ASSI {10991}

((segid “BrD” and resid 87 and name HN))

((segid “BrD” and resid 85 and name HB2))

3.200
2.600
2.300 peak
10991
weight
0.10000E+01 volume
0.17351E+03 ppm1
8.571 ppm2
3.639

OR {10991}

((segid “BrD” and resid 87 and name HN))

((segid “BrD” and resid 95 and name HB1))

ASSI {11181}

((segid “BrD” and resid 93 and name HN))

((segid “BrD” and resid 91 and name HB1))

3.000
2.200
2.200 peak
11181
weight
0.10000E+01 volume
0.28245E+03 ppm1
8.714 ppm2
3.075

OR {11181}

((segid “BrD” and resid 93 and name HN))

((segid “BrD” and resid 96 and name HB2))

ASSI {11231}

((segid “BrD” and resid 31 and name HN))

((segid “BrD” and resid 98 and name HB1))

3.900
3.800
1.600 peak
11231
weight
0.10000E+01 volume
0.56370E+02 ppm1
8.481 ppm2
3.992

OR {11231}

((segid “BrD” and resid 31 and name HN))

((segid “BrD” and resid 32 and name HB2))

ASSI {11271}

((segid “BrD” and resid 31 and name HN))

((segid “BrD” and resid 33 and name HD1))

4.100
4.100
1.400 peak
11271
weight
0.10000E+01 volume
0.42900E+02 ppm1
8.480 ppm2
2.781

OR {11271}

((segid “BrD” and resid 59 and name HN))

((segid “BrD” and resid 61 and name HG2))

ASSI {11301}

((segid “BrD” and resid 31 and name HN))

(segid “BrD” and resid 101 and name HD1%)

3.800
3.600
1.700 peak
11301
weight
0.10000E+01 volume
0.60718E+02 ppm1
8.479 ppm2
1.542

OR {11301}

((segid “BrD” and resid 31 and name HN))

(segid “BrD” and resid 56 and name HD1%)

ASSI {11321}

((segid “BrD” and resid 59 and name HN))

(segid “BrD” and resid 81 and name HG1%)

4.200
4.200
1.300 peak
11321
weight
0.10000E+01 volume
0.33324E+02 ppm1
8.480 ppm2
2.110

OR {11321}

((segid “BrD” and resid 31 and name HN))

((segid “BrD” and resid 33 and name HB1))

ASSI {11531}

((segid “BrD” and resid 104 and name HN))

(segid “BrD” and resid 102 and name HD2%)

4.700
4.700
0.800 peak
11531
weight
0.10000E+01 volume
0.18001E+02 ppm1
7.735 ppm2
1.282

OR {11531}

((segid “BrD” and resid 35 and name HN))

(segid “BrD” and resid 102 and name HD1%)

OR {11531}

((segid “BrD” and resid 104 and name HN))

(segid “BrD” and resid 102 and name HD1%)

ASSI {11541}

((segid “BrD” and resid 35 and name HN))

((segid “BrD” and resid 32 and name HB2))

3.400
2.900
2.100 peak
11541
weight
0.10000E+01 volume
0.13237E+03 ppm1
7.734 ppm2
3.923

OR {11541}

((segid “BrD” and resid 104 and name HN))

((segid “BrD” and resid 106 and name HB1))

ASSI {11591}

((segid “BrD” and resid 66 and name HN))

((segid “BrD” and resid 69 and name HB))

3.600
3.200
1.900 peak
11591
weight
0.10000E+01 volume
0.90637E+02 ppm1
8.764 ppm2
3.935

OR {11591}

((segid “BrD” and resid 66 and name HN))

((segid “BrD” and resid 63 and name HB1))

ASSI {11631}

((segid “BrD” and resid 67 and name HN))

(segid “BrD” and resid 63 and name HD1%)

3.500
3.100
2.000 peak
11631
weight
0.10000E+01 volume
0.95713E+02 ppm1
8.832 ppm2
1.678

OR {11631}

((segid “BrD” and resid 67 and name HN))

((segid “BrD” and resid 62 and name HB2))

ASSI {11671}

((segid “BrD” and resid 68 and name HN))

(segid “BrD” and resid 63 and name HD1%)

3.600
3.200
1.900 peak
11671
weight
0.10000E+01 volume
0.92729E+02 ppm1
8.626 ppm2
2.684

OR {11671}

((segid “BrD” and resid 68 and name HN))

((segid “BrD” and resid 62 and name HB2))

ASSI {11701}

((segid “BrD” and resid 69 and name HN))

((segid “BrD” and resid 63 and name HG))

3.400
2.900
2.100 peak
11703
weight
0.10000E+01 volume
0.12326E+03 ppm1
8.306 ppm2
2.476

OR {11701}

((segid “BrD” and resid 69 and name HN))

((segid “BrD” and resid 71 and name HB2))

ASSI {11711}

((segid “BrD” and resid 69 and name HN))

((segid “BrD” and resid 66 and name HB2))

3.800
3.600
1.700 peak
11711
weight
0.10000E+01 volume
0.68030E+02 ppm1
8.306 ppm2
2.614

OR {11711}

((segid “BrD” and resid 69 and name HN))

((segid “BrD” and resid 11 and name HB2))

OR {11711}

((segid “BrD” and resid 69 and name HN))

((segid “BrD” and resid 73 and name HB1))

ASSI {11751}

((segid “BrD” and resid 70 and name HN))

((segid “BrD” and resid 73 and name HG))

4.200
4.200
1.300 peak
11751
weight
0.10000E+01 volume
0.36902E+02 ppm1
8.039 ppm2
2.374

OR {11751}

((segid “BrD” and resid 70 and name HN))

((segid “BrD” and resid 9 and name HB2))

ASSI {11761}

((segid “BrD” and resid 70 and name HN))

((segid “BrD” and resid 73 and name HB1))

3.500
3.100
2.000 peak
11761
weight
0.10000E+01 volume
0.95470E+02 ppm1
8.040 ppm2
2.594

OR {11761}

((segid “BrD” and resid 70 and name HN))

((segid “BrD” and resid 11 and name HB2))

ASSI {11851}

((segid “BrD” and resid 73 and name HN))

((segid “BrD” and resid 74 and name HB1))

3.600
3.200
1.900 peak
11851
weight
0.10000E+01 volume
0.82682E+02 ppm1
8.045 ppm2
3.572

OR {11851}

((segid “BrD” and resid 73 and name HN))

((segid “BrD” and resid 75 and name HG1))

ASSI {11931}

((segid “BrD” and resid 23 and name HN))

((segid “BrD” and resid 22 and name HA))

3.800
3.600
1.700 peak
11931
weight
0.10000E+01 volume
0.64947E+02 ppm1
9.125 ppm2
4.688

OR {11931}

((segid “BrD” and resid 75 and name HN))

((segid “BrD” and resid 72 and name HA))

ASSI {11941}

((segid “BrD” and resid 98 and name HN))

((segid “BrD” and resid 100 and name HB2))

4.000
4.000
1.500 peak
11941
weight
0.10000E+01 volume
0.47235E+02 ppm1
9.125 ppm2
3.411

OR {11941}

((segid “BrD” and resid 23 and name HN))

((segid “BrD” and resid 24 and name HG1))

ASSI {12011}

((segid “BrD” and resid 23 and name HN))

(segid “BrD” and resid 22 and name HD2%)

3.800
3.600
1.700 peak
12011
weight
0.10000E+01 volume
0.60527E+02 ppm1
9.125 ppm2
1.594

OR {12011}

((segid “BrD” and resid 23 and name HN))

(segid “BrD” and resid 21 and name HG2%)

ASSI {12021}

((segid “BrD” and resid 98 and name HN))

((segid “BrD” and resid 30 and name HB1))

4.000
4.000
1.500 peak
12021
weight
0.10000E+01 volume
0.46966E+02 ppm1
9.124 ppm2
4.936

OR {12021}

((segid “BrD” and resid 23 and name HN))

((segid “BrD” and resid 60 and name HB1))

OR {22021}

((segid “BrD” and resid 98 and name HN))

((segid “BrD” and resid 100 and name HA))

OR {12021}

((segid “BrD” and resid 23 and name HN))

((segid “BrD” and resid 64 and name HA))

ASSI {12071}

((segid “BrD” and resid 100 and name HN))

((segid “BrD” and resid 98 and name HB2))

4.100
4.100
1.400 peak
12071
weight
0.10000E+01 volume
0.37827E+02 ppm1
8.669 ppm2
3.641

OR {12071}

((segid “BrD” and resid 100 and name HN))

((segid “BrD” and resid 85 and name HB2))

ASSI {12101}

((segid “BrD” and resid 100 and name HN))

((segid “BrD” and resid 103 and name HB1))

2.000
2.000
2.500 peak
12101
weight
0.10000E+01 volume
0.26537E+04 ppm1
8.669 ppm2
2.323

OR {12101}

((segid “BrD” and resid 100 and name HN))

((segid “BrD” and resid 104 and name HD1))

ASSI {12111}

((segid “BrD” and resid 100 and name HN))

((segid “BrD” and resid 103 and name HB2))

4.100
4.100
1.400 peak
12111
weight
0.10000E+01 volume
0.37921E+02 ppm1
8.669 ppm2
1.892

OR {12111}

((segid “BrD” and resid 100 and name HN))

((segid “BrD” and resid 86 and name HG1))

ASSI {12141}

((segid “BrD” and resid 100 and name HN))

(segid “BrD” and resid 96 and name HD%)

4.300
4.300
1.200 peak
12141
weight
0.10000E+01 volume
0.30609E+02 ppm1
8.669 ppm2
7.737

OR {12141}

((segid “BrD” and resid 100 and name HN))

((segid “BrD” and resid 104 and name HN))

ASSI {12251}

((segid “BrD” and resid 107 and name HN))

((segid “BrD” and resid 110 and name HB))

3.700
3.400
2.000 peak
12251
weight
0.10000E+01 volume
0.79191E+02 ppm1
8.980 ppm2
2.348

OR {12251}

((segid “BrD” and resid 107 and name HN))

((segid “BrD” and resid 103 and name HB1))

OR {12251}

((segid “BrD” and resid 107 and name HN))

((segid “BrD” and resid 109 and name HB1))

ASSI {12261}

((segid “BrD” and resid 107 and name HN))

((segid “BrD” and resid 102 and name HB2))

5.500
5.500
0.000 peak
12261
weight
0.10000E+01 volume
0.35919E+00 ppm1
8.980 ppm2
1.797

OR {12261}

((segid “BrD” and resid 107 and name HN))

(segid “BrD” and resid 25 and name HG1%)

ASSI {12281}

((segid “BrD” and resid 108 and name HN))

((segid “BrD” and resid 103 and name HG2))

4.100
4.100
1.400 peak
12281
weight
0.10000E+01 volume
0.42059E+02 ppm1
8.522 ppm2
2.529

OR {12281}

((segid “BrD” and resid 108 and name HN))

((segid “BrD” and resid 104 and name HB1))

ASSI {12301}

((segid “BrD” and resid 104 and name HN))

(segid “BrD” and resid 116 and name HD1%)

3.900
3.800
1.600 peak
12301
weight
0.10000E+01 volume
0.52230E+02 ppm1
8.521 ppm2
1.422

OR {12301}

((segid “BrD” and resid 108 and name HN))

((segid “BrD” and resid 109 and name HG1))

ASSI {12311}

((segid “BrD” and resid 108 and name HN))

((segid “BrD” and resid 110 and name HB))

4.100
4.100
1.400 peak
12311
weight
0.10000E+01 volume
0.41867E+02 ppm1
8.522 ppm2
2.331

OR {12311}

((segid “BrD” and resid 108 and name HN))

((segid “BrD” and resid 109 and name HB1))

ASSI {12401}

((segid “BrD” and resid 113 and name HN))

((segid “BrD” and resid 115 and name HG))

3.300
2.700
2.200 peak
12401
weight
0.10000E+01 volume
0.16014E+03 ppm1
8.218 ppm2
2.152

OR {12401}

((segid “BrD” and resid 113 and name HN))

((segid “BrD” and resid 115 and name HB1))

OR {12401}

((segid “BrD” and resid 113 and name HN))

((segid “BrD” and resid 109 and name HB2))

ASSI {12501}

((segid “BrD” and resid 116 and name HN))

((segid “BrD” and resid 71 and name HA))

4.300
4.300
1.200 peak
12501
weight
0.10000E+01 volume
0.28782E+02 ppm1
4.087 ppm2
4.664

OR {12501}

((segid “BrD” and resid 116 and name HN))

((segid “BrD” and resid 72 and name HA))

OR {12501}

((segid “BrD” and resid 116 and name HN))

((segid “BrD” and resid 114 and name HA1))

OR {12501}

((segid “BrD” and resid 116 and name HN))

((segid “BrD” and resid 76 and name HA))

ASSI {12511}

((segid “BrD” and resid 116 and name HN))

((segid “BrD” and resid 75 and name HA))

3.600
3.200
1.900 peak
12511
weight
0.10000E+01 volume
0.81005E+02 ppm1
8.087 ppm2
4.526

OR {12511}

((segid “BrD” and resid 116 and name HN))

((segid “BrD” and resid 224 and name HA2))

ASSI {12601}

((segid “BrD” and resid 92 and name HN))

((segid “BrD” and resid 92 and name HB1))

4.100
4.100
1.400 peak
12601
weight
0.10000E+01 volume
0.37922E+02 ppm1
8.831 ppm2
2.695

OR {12601}

((segid “BrD” and resid 92 and name HN))

((segid “BrD” and resid 91 and name HB2))

ASSI {12841}

((segid “BrD” and resid 19 and name HN))

((segid “BrD” and resid 17 and name HB))

3.400
3.600
1.700 peak
12841
weight
0.10000E+01 volume
0.59211E+02 ppm1
9.187 ppm2
4.880

OR {12841}

((segid “BrD” and resid 19 and name HN))

((segid “BrD” and resid 20 and name HA))

ASSI {12861}

((segid “BrD” and resid 20 and name HN))

((segid “BrD” and resid 63 and name HG))

4.000
4.000
1.500 peak
12861
weight
0.10000E+01 volume
0.43415E+02 ppm1
8.147 ppm2
2.471

OR {12861}

((segid “BrD” and resid 20 and name HN))

((segid “BrD” and resid 21 and name HB))

ASSI {12951}

((segid “BrD” and resid 23 and name HN))

(segid “BrD” and resid 25 and name HG1%)

3.000
3.600
1.700 peak
12951
weight
0.10000E+01 volume
0.65898E+02 ppm1
9.119 ppm2
1.823

OR {12951}

((segid “BrD” and resid 98 and name HN))

((segid “BrD” and resid 101 and name HG12))

ASSI {12961}

((segid “BrD” and resid 23 and name HN))

(segid “BrD” and resid 22 and name HD1%)

3.100
2.400
2.400 peak
12961
weight
0.10000E+01 volume
0.23452E+03 ppm1
9.120 ppm2
1.646

OR {12961}

((segid “BrD” and resid 23 and name HN))

((segid “BrD” and resid 21 and name HG12))

OR {12961}

((segid “BrD” and resid 23 and name HN))

(segid “BrD” and resid 21 and name HG2%)

OR {12961}

((segid “BrD” and resid 23 and name HN))

(segid “BrD” and resid 25 and name HG2%)

ASSI {12971}

((segid “BrD” and resid 98 and name HN))

(segid “BrD” and resid 101 and name HD1%)

3.900
3.800
1.600 peak
12971
weight
0.10000E+01 volume
0.50522E+02 ppm1
9.119 ppm2
1.514

OR {12971}

((segid “BrD” and resid 23 and name HN))

(segid “BrD” and resid 63 and name HD2%)

ASSI {12981}

((segid “BrD” and resid 98 and name HN))

((segid “BrD” and resid 100 and name HB2))

3.400
2.900
2.100 peak
12981
weight
0.10000E+01 volume
0.12055E+03 ppm1
9.119 ppm2
3.467

OR {12981}

((segid “BrD” and resid 23 and name HN))

((segid “BrD” and resid 24 and name HG1))

OR {12981}

((segid “BrD” and resid 98 and name HN))

((segid “BrD” and resid 100 and name HB1))

ASSI {13001}

((segid “BrD” and resid 98 and name HN))

(segid “BrD” and resid 95 and name HD%)

3.900
3.800
1.600 peak
13001
weight
0.10000E+01 volume
0.54095E+02 ppm1
9.119 ppm2
7.520

OR {13001}

((segid “BrD” and resid 23 and name HN))

((segid “BrD” and resid 24 and name HE22))

OR {13001}

((segid “BrD” and resid 23 and name HN))

(segid “BrD” and resid 74 and name HE%)

ASSI {13011}

((segid “BrD” and resid 26 and name HN))

(segid “BrD” and resid 31 and name HB%)

3.500
3.100
2.000 peak
13011
weight
0.10000E+01 volume
0.10060E+03 ppm1
9.196 ppm2
2.308

OR {13011}

((segid “BrD” and resid 26 and name HN))

((segid “BrD” and resid 22 and name HB2))

ASSI {13121}

((segid “BrD” and resid 59 and name HN))

((segid “BrD” and resid 56 and name HB2))

3.800
3.600
1.700 peak
13121
weight
0.10000E+01 volume
0.59266E+02 ppm1
8.496 ppm2
2.008

OR {13121}

((segid “BrD” and resid 59 and name HN))

((segid “BrD” and resid 57 and name HG2))

OR {13121}

((segid “BrD” and resid 31 and name HN))

((segid “BrD” and resid 102 and name HB1))

ASSI {13171}

((segid “BrD” and resid 60 and name HN))

((segid “BrD” and resid 57 and name HB2))

3.500
3.100
2.000 peak
13171
weight
0.10000E+01 volume
0.10295E+03 ppm1
8.564 ppm2
2.858

OR {13171}

((segid “BrD” and resid 60 and name HN))

((segid “BrD” and resid 61 and name HB1))

OR {13171}

((segid “BrD” and resid 65 and name HN))

((segid “BrD” and resid 61 and name HB1))

ASSI {13181}

((segid “BrD” and resid 60 and name HN))

((segid “BrD” and resid 22 and name HG))

3.800
3.600
1.700 peak
13181
weight
0.10000E+01 volume
0.61364E+02 ppm1
8.565 ppm2
2.336

OR {13181}

((segid “BrD” and resid 65 and name HN))

((segid “BrD” and resid 62 and name HG1))

OR {13181}

((segid “BrD” and resid 60 and name HN))

((segid “BrD” and resid 56 and name HG))

OR {13181}

((segid “BrD” and resid 60 and name HN))

((segid “BrD” and resid 22 and name HB2))

OR {13181}

((segid “BrD” and resid 60 and name HN))

((segid “BrD” and resid 57 and name HD2))

ASSI {13191}

((segid “BrD” and resid 60 and name HN))

(segid “BrD” and resid 22 and name HD1%)

3.200
2.600
2.300 peak
13191
weight
0.10000E+01 volume
0.17409E+03 ppm1
8.568 ppm2
1.666

OR {13191}

((segid “BrD” and resid 65 and name HN))

(segid “BrD” and resid 63 and name HD1%)

OR {13191}

((segid “BrD” and resid 60 and name HN))

(segid “BrD” and resid 58 and name HG2%)

ASSI {13201}

((segid “BrD” and resid 65 and name HN))

(segid “BrD” and resid 63 and name HD2%)

3.600
3.200
1.900 peak
13201
weight
0.10000E+01 volume
0.81304E+02 ppm1
8.565 ppm2
1.497

OR {13201}

((segid “BrD” and resid 65 and name HN))

((segid “BrD” and resid 62 and name HD2))

OR {13201}

((segid “BrD” and resid 60 and name HN))

(segid “BrD” and resid 63 and name HD2%)

ASSI {13631}

((segid “BrD” and resid 84 and name HN))

((segid “BrD” and resid 82 and name HN))

4.000
4.000
1.500 peak
13631
weight
0.10000E+01 volume
0.44090E+02 ppm1
9.463 ppm2
6.901

OR {13631}

((segid “BrD” and resid 63 and name HN))

(segid “BrD” and resid 74 and name HD%)

ASSI {13691}

((segid “BrD” and resid 22 and name HN))

((segid “BrD” and resid 22 and name HB2))

3.700
3.400
1.800 peak
13691
weight
0.10000E+01 volume
0.68908E+02 ppm1
9.473 ppm2
2.333

OR {13691}

((segid “BrD” and resid 22 and name HN))

((segid “BrD” and resid 21 and name HG11))

OR {13691}

((segid “BrD” and resid 22 and name HN))

((segid “BrD” and resid 22 and name HG))

ASSI {13971}

((segid “BrD” and resid 114 and name HN))

((segid “BrD” and resid 112 and name HD2))

4.900
4.900
0.600 peak
13971
weight
0.10000E+01 volume
0.14459E+02 ppm1
8.371 ppm2
2.786

OR {13971}

((segid “BrD” and resid 114 and name HN))

((segid “BrD” and resid 13 and name HB1))

ASSI {14061}

((segid “BrD” and resid 107 and name HN))

(segid “BrD” and resid 110 and name HG2%)

4.800
4.800
0.700 peak
14061
weight
0.10000E+01 volume
0.15271E+02 ppm1
8.980 ppm2
1.260

OR {14061}

((segid “BrD” and resid 107 and name HN))

(segid “BrD” and resid 21 and name HD1%)

ASSI {14071}

((segid “BrD”and resid 106 and name HN))

((segid “BrD”and resid 107 and name HA))

4.600
4.600
0.900 peak
14071
weight
0.10000E+01 volume
0.20679E+02 ppm1
9.742 ppm2
4.447

OR {14071}

((segid “BrD” and resid 106 and name HN))

((segid “BrD” and resid 99 and name HA))

ASSI {14131}

((segid “BrD” and resid 104 and name HN))

((segid “BrD” and resid 102 and name HB2))

3.700
3.400
1.800 peak
14131
weight
0.10000E+01 volume
0.79648E+02 ppm1
7.763 ppm2
1.816

OR {14131}

((segid “BrD” and resid 104 and name HN))

((segid “BrD” and resid 101 and name HG12))

ASSI {14141}

((segid “BrD” and resid 103 and name HN))

((segid “BrD” and resid 106 and name HB1))

3.600
3.200
1.900 peak
14141
weight
0.10000E+01 volume
0.92105E+02 ppm1
8.695 ppm2
3.908

OR {14141}

((segid “BrD” and resid 17 and name HN))

((segid “BrD” and resid 18 and name HA))

ASSI {14151 }

((segid “BrD” and resid 102 and name HN))

((segid “BrD” and resid 105 and name HB2))

4.000
4.000
1.500 peak
14151
weight
0.10000E+01 volume
0.49406E+02 ppm1
9.156 ppm2
3.635

OR {14151}

((segid “BrD” and resid 102 and name HN))

((segid “BrD” and resid 98 and name HB2))

OR {14151}

((segid “BrD” and resid 102 and name HN))

((segid “BrD” and resid 106 and name HB2))

ASSI {14161}

((segid “BrD” and resid 102 and name HN))

((segid “BrD” and resid 103 and name HA))

5.000
5.000
0.500 peak
14161
weight
0.10000E+01 volume
0.12711E+02 ppm1
9.156 ppm2
3.753

OR {14161}

((segid “BrD” and resid 102 and name HN))

((segid “BrD” and resid 105 and name HB1))

ASSI {14171}

((segid “BrD” and resid 101 and name HN))

((segid “BrD” and resid 104 and name HN))

4.300
4.300
1.200 peak
14171
weight
0.10000E+01 volume
0.29353E+02 ppm1
8.513 ppm2
7.761

OR {14171}

((segid “BrD” and resid 101 and name HN))

(segid “BrD” and resid 34 and name HE%)

ASSI {14201}

((segid “BrD” and resid 100 and name HN))

((segid “BrD” and resid 86 and name HE1))

4.100
4.100
1.400 peak
14201
weight
0.10000E+01 volume
0.38990E+02 ppm1
8.667 ppm2
3.092

OR {14201}

((segid “BrD” and resid 100 and name HN))

((segid “BrD” and resid 96 and name HB2))

ASSI {14221}

((segid “BrD” and resid 100 and name HN))

((segid “BrD” and resid 101 and name HG12))

4.800
4.800
0.700 peak
14221
weight
0.10000E+01 volume
0.14931E+02 ppm1
8.669 ppm2
1.806

OR {14221}

((segid “BrD” and resid 100 and name HN))

((segid “BrD” and resid 102 and name HB2))

ASSI {14241}

((segid “BrD” and resid 99 and name HN))

((segid “BrD” and resid 96 and name HB2))

4.900
4.900
0.600 peak
14241
weight
0.10000E+01 volume
0.14325E+02 ppm1
8.940 ppm2
3.103

OR {14241}

((segid “BrD” and resid 99 and name HN))

((segid “BrD” and resid 94 and name HG1))

OR {14241}

((segid “BrD” and resid 99 and name HN))

((segid “BrD” and resid 86 and name HE1))

ASSI {14251}

((segid “BrD” and resid 99 and name HN))

(segid “BrD” and resid 60 and name HG2%)

5.500
5.500
0.000 peak
14251
weight
0.10000E+01 volume
0.30696E+01 ppm1
8.934 ppm2
0.748

OR {14251}

((segid “BrD” and resid 99 and name HN))

((segid “BrD” and resid 86 and name HG2))

ASSI {14281}

((segid “BrD” and resid 96 and name HN))

((segid “BrD” and resid 32 and name HH2))

3.800
3.600
1.700 peak
14281
weight
0.10000E+01 volume
0.66237E+02 ppm1
9.125 ppm2
7.750

OR {14281}

((segid “BrD” and resid 98 and name HN))

(segid “BrD” and resid 34 and name HE%)

OR {14281}

((segid “BrD” and resid 75 and name HN))

(segid “BrD” and resid 68 and name HD%)

ASSI {14301}

((segid “BrD” and resid 96 and name HN))

(segid “BrD” and resid 99 and name HB%)

3.600
3.200
1.900 peak
14301
weight
0.10000E+01 volume
0.84940E+02 ppm1
7.977 ppm2
2.199

OR {14301}

((segid “BrD” and resid 96 and name HN))

((segid “BrD” and resid 97 and name HG2))

ASSI {14311}

((segid “BrD” and resid 77 and name HN))

(segid “BrD” and resid 73 and name HD1%)

4.900
4.900
0.600 peak
14311
weight
0.10000E+01 volume
0.13346E+02 ppm1
7.981 ppm2
1.543

OR {14311}

((segid “BrD” and resid 78 and name HN))

((segid “BrD” and resid 116 and name HG12))

OR {14311}

((segid “BrD” and resid 78 and name HN))

(segid “BrD” and resid 56 and name HD1%)

OR {14311}

((segid “BrD” and resid 77 and name HN))

((segid “BrD” and resid 116 and name HG12))

OR {14311}

((segid “BrD” and resid 96 and name HN))

(segid “BrD” and resid 101 and name HD1%)

ASSI {14441}

((segid “BrD” and resid 83 and name HN))

((segid “BrD” and resid 79 and name HG1))

4.600
4.600
0.900 peak
14441
weight
0.10000E+01 volume
0.19968E+02 ppm1
9.656 ppm2
1.046

OR {14441}

((segid “BrD” and resid 83 and name HN))

((segid “BrD” and resid 87 and name HG1))

ASSI {14451}

((segid “BrD” and resid 83 and name HN))

((segid “BrD” and resid 80 and name HG1))

5.500
5.500
0.000 peak
14451
weight
0.10000E+01 volume
0.45437E+00 ppm1
9.658 ppm2
2.374

OR {14451}

((segid “BrD” and resid 83 and name HN))

((segid “BrD” and resid 86 and name HB1))

ASSI {14461}

((segid “BrD” and resid 83 and name HN))

((segid “BrD” and resid 86 and name HG2))

5.000
5.000
0.500 peak
14461
weight
0.10000E+01 volume
0.12633E+02 ppm1
9.657 ppm2
0.743

OR {14461}

((segid “BrD” and resid 83 and name HN))

(segid “BrD” and resid 81 and name HG2%)

ASSI {14511}

((segid “BrD” and resid 79 and name HN))

(segid “BrD” and resid 106 and name HE%)

3.600
3.200
1.900 peak
14511
weight
0.10000E+01 volume
0.86513E+02 ppm1
8.680 ppm2
7.621

OR {14511}

((segid “BrD” and resid 79 and name HN))

((segid “BrD” and resid 81 and name HN))

ASSI {14591}

((segid “BrD” and resid 72 and name HN))

((segid “BrD” and resid 73 and name HA))

4.100
4.100
1.400 peak
14591
weight
0.10000E+01 volume
0.40514E+02 ppm1
8.858 ppm2
4.801

OR {14591}

((segid “BrD” and resid 72 and name HN))

((segid “BrD” and resid 70 and name HB1))

OR {14591}

((segid “BrD” and resid 72 and name HN))

((segid “BrD” and resid 115 and name HA))

ASSI {14631}

((segid “BrD” and resid 66 and name HN))

((segid “BrD” and resid 67 and name HA))

4.400
4.400
1.100 peak
14631
weight
0.10000E+01 volume
0.25627E+02 ppm1
8.762 ppm2
4.678

OR {14631}

((segid “BrD” and resid 66 and name HN))

((segid “BrD” and resid 69 and name HA))

OR {14631}

((segid “BrD” and resid 66 and name HN))

((segid “BrD” and resid 61 and name HA))

ASSI {14641}

((segid “BrD” and resid 60 and name HN))

((segid “BrD” and resid 62 and name HN))

4.200
4.200
1.300 peak
14641
weight
0.10000E+01 volume
0.32935E+02 ppm1
8.568 ppm2
8.968

OR {14641}

((segid “BrD” and resid 65 and name HN))

((segid “BrD” and resid 62 and name HN))

ASSI {14651}

((segid “BrD” and resid 65 and name HN))

((segid “BrD” and resid 65 and name HD22))

4.200
4.200
1.300 peak
14651
weight
0.10000E+01 volume
0.33097E+02 ppm1
8.566 ppm2
7.569

OR {14651}

((segid “BrD” and resid 60 and name HN))

(segid “BrD” and resid 74 and name HE%)

ASSI {14751}

((segid “BrD” and resid 62 and name HN))

((segid “BrD” and resid 64 and name HN))

2.800
2.000
2.000 peak
14751
weight
0.10000E+01 volume
0.39545E+03 ppm1
8.998 ppm2
8.576

OR {14751}

((segid “BrD” and resid 62 and name HN))

((segid “BrD” and resid 60 and name HN))

ASSI {14791}

((segid “BrD” and resid 38 and name HN))

((segid “BrD” and resid 37 and name HG2))

3.900
3.800
1.600 peak
14791
weight
0.10000E+01 volume
0.52365E+02 ppm1
8.742 ppm2
2.547

OR {14791}

((segid “BrD” and resid 61 and name HN))

(segid “BrD” and resid 54 and name HE%)

OR {14791}

((segid “BrD” and resid 61 and name HN))

((segid “BrD” and resid 59 and name HB2))

OR {14791}

((segid “BrD” and resid 61 and name HN))

((segid “BrD” and resid 63 and name HB2))

ASSI {14801}

((segid “BrD” and resid 65 and name HN))

((segid “BrD” and resid 63 and name HN))

4.400
4.400
1.100 peak
14801
weight
0.10000E+01 volume
0.24650E+02 ppm1
8.570 ppm2
9.470

OR {14801}

((segid “BrD” and resid 60 and name HN))

((segid “BrD” and resid 63 and name HN))

ASSI {14821}

((segid “BrD” and resid 59 and name HN))

((segid “BrD” and resid 55 and name HN))

3.600
3.200
1.900 peak
14821
weight
0.10000E+01 volume
0.84273E+02 ppm1
8.498 ppm2
7.974

OR {14821}

((segid “BrD” and resid 31 and name HN))

((segid “BrD” and resid 32 and name HE3))

ASSI {14901}

((segid “BrD” and resid 54 and name HN))

((segid “BrD” and resid 55 and name HB1))

4.400
4.400
1.100 peak
14901
weight
0.10000E+01 volume
0.25948E+02 ppm1
9.035 ppm2
2.965

OR {14901}

((segid “BrD” and resid 54 and name HN))

((segid “BrD” and resid 37 and name HB1))

ASSI {14921}

((segid “BrD” and resid 54 and name HN))

(segid “BrD” and resid 81 and name HG1%)

4.000
4.000
1.500 peak
14921
weight
0.10000E+01 volume
0.46525E+02 ppm1
9.037 ppm2
1.081

OR {14921}

((segid “BrD” and resid 54 and name HN))

(segid “BrD” and resid 38 and name HG1%)

ASSI {14931}

((segid “BrD” and resid 52 and name HN))

(segid “BrD” and resid 50 and name HD1%)

5.500
5.500
0.000 peak
14931
weight
0.10000E+01 volume
0.2319E+01 ppm1
9.004 ppm2
1.110

OR {14931}

((segid “BrD” and resid 52 and name HN))

(segid “BrD” and resid 81 and name HG1%)

ASSI {15021}

((segid “BrD” and resid 50 and name HN))

((segid “BrD” and resid 49 and name HB))

3.400
2.900
2.100 peak
15021
weight
0.10000E+01 volume
0.11615E+03 ppm1
8.562 ppm2
2.642

OR {15021}

((segid “BrD” and resid 46 and name HN))

((segid “BrD” and resid 44 and name HB2))

ASSI {15091}

((segid “BrD” and resid 35 and name HN))

((segid “BrD” and resid 33 and name HB1))

5.000
5.000
0.500 peak
15091
weight
0.10000E+01 volume
0.12753E+02 ppm1
7.735 ppm2
1.073

OR {15091}

((segid “BrD” and resid 35 and name HN))

(segid “BrD” and resid 41 and name HG1%)

ASSI {15181}

((segid “BrD” and resid 30 and name HN))

(segid “BrD” and resid 101 and name HG2%)

3.900
3.800
1.800 peak
15181
weight
0.10000E+01 volume
0.50580E+02 ppm1
12.275 ppm2
1.601

OR {15181}

((segid “BrD” and resid 30 and name HN))

(segid “BrD” and resid 25 and name HG2%)

ASSI {15221}

((segid “BrD” and resid 28 and name HN))

((segid “BrD” and resid 32 and name HN))

4.200
4.200
1.300 peak
15221
weight
0.10000E+01 volume
0.33692E+02 ppm1
8.166 ppm2
7.752

OR {15221}

((segid “BrD” and resid 28 and name HN))

(segid “BrD” and resid 34 and name HE%)

ASSI {15331}

((segid “BrD” and resid 25 and name HN))

(segid “BrD” and resid 31 and name HB%)

4.500
4.500
1.000 peak
15331
weight
0.10000E+01 volume
0.22185E+02 ppm1
9.133 ppm2
2.295

OR {15331}

((segid “BrD” and resid 25 and name HN))

((segid “BrD” and resid 22 and name HB2))

ASSI {15341}

((segid “BrD” and resid 24 and name HN))

((segid “BrD” and resid 27 and name HN))

3.700
3.400
1.800 peak
15341
weight
0.10000E+01 volume
0.78760E+02 ppm1
8.660 ppm2
8.147

OR {15341}

((segid “BrD” and resid 24 and name HN))

((segid “BrD” and resid 20 and name HN))

ASSI {15411}

((segid “BrD” and resid 18 and name HN))

((segid “BrD” and resid 21 and name HG12))

4.300
4.300
1.200 peak
15411
weight
0.10000E+01 volume
0.29441E+02 ppm1
9.077 ppm2
1.642

OR {15411}

((segid “BrD” and resid 18 and name HN))

(segid “BrD” and resid 63 and name HD1%)

OR {15411}

((segid “BrD” and resid 18 and name HN))

(segid “BrD” and resid 21 and name HG2%)

ASSI {15451}

((segid “BrD” and resid 17 and name HN))

(segid “BrD” and resid 15 and name HD%)

4.700
4.700
0.800 peak
15451
weight
0.10000E+01 volume
0.16799E+02 ppm1
8.669 ppm2
7.656

OR {15451}

((segid “BrD” and resid 17 and name HN))

(segid “BrD” and resid 106 and name HE%)

ASSI {15461}

((segid “BrD” and resid 16 and name HN))

(segid “BrD” and resid 14 and name HD2%)

4.800
4.800
0.700 peak
15461
weight
0.10000E+01 volume
0.14734E+02 ppm1
8.791 ppm2
1.430

OR {15461}

((segid “BrD” and resid 16 and name HN))

(segid “BrD” and resid 69 and name HG2%)

OR {15461}

((segid “BrD” and resid 16 and name HN))

(segid “BrD” and resid 14 and name HD1%)

ASSI {15491}

((segid “BrD” and resid 14 and name HN))

((segid “BrD” and resid 15 and name HB1))

5.000
5.000
0.500 peak
15491
weight
0.10000E+01 volume
0.11598E+02 ppm1
8.809 ppm2
3.823

OR {15491}

((segid “BrD” and resid 13 and name HN))

((segid “BrD” and resid 15 and name HB1))

ASSI {15501}

((segid “BrD” and resid 14 and name HN))

((segid “BrD” and resid 15 and name HB2))

5.100
5.100
0.400 peak
15501
weight
0.10000E+01 volume
0.11421E+02 ppm1
8.809 ppm2
3.641

OR {15501}

((segid “BrD” and resid 13 and name HN))

((segid “BrD” and resid 15 and name HB2))

ASSI {15581}

((segid “BrD” and resid 32 and name HE1))

((segid “BrD” and resid 30 and name HB1))

4.800
4.800
0.700 peak
15581
weight
0.10000E+01 volume
0.15339E+02 ppm1
11.082 ppm2
4.955

OR {15581}

((segid “BrD” and resid 32 and name HE1))

((segid “BrD” and resid 32 and name HA))

ASSI {15621}

((segid “BrD” and resid 32 and name HE1))

((segid “BrD” and resid 33 and name HD1))

4.200
4.200
1.300 peak
15631
weight
0.10000E+01 volume
0.36353E+02 ppm1
11.082 ppm2
2.779

OR {15621}

((segid “BrD” and resid 32 and name HE1))

((segid “BrD” and resid 94 and name HB1))

ASSI {862}

((segid “BrD” and resid 95 and name HB2))

((segid “BrD” and resid 95 and name HA))

2.900
2.100
2.100 peak
862
weight
0.10000E+01 volume
0.13207E+03 ppm1
3.373 ppm2
4.477

OR {862}

((segid “BrD” and resid 65 and name HB2))

((segid “BrD” and resid 62 and name HA))

ASSI {5972}

(segid “BrD” and resid 18 and name HD1%)

((segid “BrD” and resid 68 and name HB1))

2.800
2.000
2.000 peak
5972
weight
0.10000E+01 volume
0.16386E+03 ppm1
1.057 ppm2
3.667

OR {5972}

(segid “BrD” and resid 18 and name HD1%)

((segid “BrD” and resid 15 and name HB2))

ASSI {6172}

(segid “BrD” and resid 56 and name HD1%)

((segid “BrD” and resid 26 and name HA))

3.000
2.200
2.200 peak
6172
weight
0.10000E+01 volume
0.11879E+03 ppm1
1.546 ppm2
4.502

OR {6172}

((segid “BrD” and resid 116 and name HG12))

((segid “BrD” and resid 75 and name HA))

ASSI {6592}

(segid “BrD” and resid 31 and name HB%)

(segid “BrD” and resid 35 and name HE%)

3.000
2.200
2.200 peak
6592
weight
0.10000E+01 volume
0.12050E+03 ppm1
2.289 ppm2
2.779

OR {6592}

(segid “BrD” and resid 31 and name HB%)

((segid “BrD” and resid 33 and name HD1))

ASSI {6622}

(segid “BrD” and resid 31 and name HB%)

((segid “BrD” and resid 56 and name HB2))

3.200
2.600
2.300 peak
6622
weight
0.10000E+01 volume
0.78528E+02 ppm1
2.291 ppm2
1.994

OR {6622}

(segid “BrD” and resid 31 and name HB%)

((segid “BrD” and resid 102 and name HB1))

ASSI {6812}

(segid “BrD” and resid 99 and name HB%)

((segid “BrD” and resid 85 and name HB2))

2.500
1.600
1.600 peak
6812
weight
0.10000E+01 volume
0.30669E+03 ppm1
2.190 ppm2
3.645

OR {6812}

(segid “BrD” and resid 99 and name HB%)

((segid “BrD” and resid 82 and name HB1))

ASSI {6822}

(segid “BrD” and resid 99 and name HB%)

((segid “BrD” and resid 103 and name HB2))

2.900
2.100
2.100 peak
6822
weight
0.10000E+01 volume
0.12780E+03 ppm1
2.190 ppm2
1.903

OR {6822}

(segid “BrD” and resid 99 and name HB%)

((segid “BrD” and resid 86 and name HG1))

ASSI {7132}

(segid “BrD” and resid 38 and name HG1%)

((segid “BrD” and resid 46 and name HB1))

2.600
1.700
1.700 peak
7132
weight
0.10000E+01 volume
0.23427E+03 ppm1
1.057 ppm2
3.306

OR {7132}

(segid “BrD” and resid 81 and name HG1%)

((segid “BrD” and resid 77 and name HB1))

ASSI {7142}

(segid “BrD” and resid 81 and name HG1%)

((segid “BrD” and resid 59 and name HB2))

2.800
2.000
2.000 peak
7142
weight
0.10000E+01 volume
0.18258E+03 ppm1
1.058 ppm2
2.475

OR {7142}

(segid “BrD” and resid 38 and name HG1%)

((segid “BrD” and resid 53 and name HG2))

ASSI {7152}

(segid “BrD” and resid 81 and name HG1%)

((segid “BrD” and resid 54 and name HB2))

2.800
2.000
2.000 peak
7152
weight
0.10000E+01 volume
0.17360E+03 ppm1
1.057 ppm2
1.962

OR {7152}

(segid “BrD” and resid 82 and name HG1%)

((segid “BrD” and resid 54 and name HB2))

ASSI {7222}

((segid “BrD” and resid 17 and name HB))

(segid “BrD” and resid 14 and name HD2%)

3.200
2.600
2.300 peak
7222
weight
0.10000E+01 volume
0.77701E+02 ppm1
4.854 ppm2
1.424

OR {7222}

((segid “BrD” and resid 17 and name HB))

(segid “BrD” and resid 14 and name HD1%)

OR {7222}

((segid “BrD” and resid 17 and name HB))

((segid “BrD” and resid 109 and name and name HG1))

ASSI {7232}

((segid “BrD” and resid 17 and name HB))

(segid “BrD” and resid 115 and name HD1%)

3.400
2.900
2.100 peak
7232
weight
0.10000E+01 volume
0.48663E+02 ppm1
4.854 ppm2
1.317

OR {7232}

((segid “BrD” and resid 17 and name HB))

(segid “BrD” and resid 14 and name HD2%)

ASSI {7262}

(segid “BrD” and resid 17 and name HG2%)

(segid “BrD” and resid 21 and name HD1%)

2.400
1.400
1.400 peak
7262
weight
0.10000E+01 volume
0.43712E+03 ppm1
1.747 ppm2
1.221

OR {7262}

(segid “BrD” and resid 17 and name HG2%)

(segid “BrD” and resid 110 and name HG2%)

ASSI {7392}

((segid “BrD” and resid 15 and name HA))

((segid “BrD” and resid 16 and name HG))

3.800
3.600
1.700 peak
7392
weight
0.10000E+01 volume
0.25131E+02 ppm1
4.605 ppm2
2.314

OR {7392}

((segid “BrD” and resid 15 and name HA))

((segid “BrD” and resid 19 and name HB1))

ASSI {7742}

((segid “BrD” and resid 106 and name HA))

(segid “BrD” and resid 25 and name HG1%)

3.400
2.900
2.100 peak
7742
weight
0.10000E+01 volume
0.51959E+02 ppm1
4.557 ppm2
1.817

OR {7742}

((segid “BrD” and resid 106 and name HA))

((segid “BrD” and resid 102 and name HB2))

ASSI {8052}

((segid “BrD” and resid 77 and name HB1))

((segid “BrD” and resid 80 and name HB2))

3.300
2.700
2.200 peak
8052
weight
0.10000E+01 volume
0.59988E+02 ppm1
3.325 ppm2
2.564

OR {8052}

((segid “BrD” and resid 77 and name HB1))

((segid “BrD” and resid 54 and name HB1))

OR {8052}

((segid “BrD” and resid 77 and name HB1))

(segid “BrD” and resid 54 and name HE%)

ASSI {8122}

((segid “BrD” and resid 63 and name HA))

((segid “BrD” and resid 62 and name HB1))

3.700
3.400
1.800 peak
8122
weight
0.10000E+01 volume
0.30661E+02 ppm1
5.296 ppm2
2.660

OR {8122}

((segid “BrD” and resid 63 and name HA))

((segid “BrD” and resid 67 and name HB2))

OR {8122}

((segid “BrD” and resid 63 and name HA))

((segid “BrD” and resid 64 and name HB1))

ASSI {8212}

((segid “BrD” and resid 109 and name HG1))

((segid “BrD” and resid 109 and name HB1))

2.200
1.200
1.200 peak
8212
weight
0.10000E+01 volume
0.72542E+03 ppm1
1.401 ppm2
2.310

OR {8212}

(segid “BrD” and resid 14 and name HD2%)

((segid “BrD” and resid 16 and name HG))

ASSI {8492}

(segid “BrD” and resid 18 and name HD2%)

((segid “BrD” and resid 14 and name HA))

2.700
1.800
1.800 peak
8492
weight
0.10000E+01 volume
0.19700E+03 ppm1
0.414 ppm2
4.626

OR {8492}

(segid “BrD” and resid 18 and name HD2%)

((segid “BrD” and resid 15 and name HA))

OR {8492}

(segid “BrD” and resid 18 and name HD2%)

((segid “BrD” and resid 71 and name HA))

ASSI {8542}

(segid “BrD” and resid 22 and name HD1%)

((segid “BrD” and resid 60 and name HB2))

2.600
1.700
1.700 peak
8542
weight
0.10000E+01 volume
0.14926E+03 ppm1
1.645 ppm2
4.629

OR {8542}

(segid “BrD” and resid 22 and name HD1%)

((segid “BrD” and resid 23 and name HA))

OR {8542}

(segid “BrD” and resid 22 and name HD1%)

((segid “BrD” and resid 56 and name HA))

OR {8542}

(segid “BrD” and resid 22 and name HD1%)

((segid “BrD” and resid 61 and name HA))

ASSI {8662}

(segid “BrD” and resid 56 and name HD2%)

(segid “BrD” and resid 22 and name HD2%)

2.200
1.200
1.200 peak
8662
weight
0.10000E+01 volume
0.65442E+03 ppm1
1.254 ppm2
1.635

OR {8662}

(segid “BrD” and resid 56 and name HD2%)

(segid “BrD” and resid 25 and name HG2%)

ASSI {8712}

(segid “BrD” and resid 56 and name HD1%)

(segid “BrD” and resid 102 and name HD1%)

2.600
1.700
1.700 peak
8712
weight
0.10000E+01 volume
0.26563E+01 ppm1
1.547 ppm2
1.321

OR {8712}

(segid “BrD” and resid 56 and name HD1%)

(segid “BrD” and resid 102 and name HD2%)

OR {8712}

((segid “BrD” and resid 116 and name HG12))

(segid “BrD” and resid 115 and name HD1%)

ASSI {8962}

((segid “BrD” and resid 56 and name HB2))

(segid “BrD” and resid 25 and name HG2%)

3.700
3.400
1.800 peak
8962
weight
0.10000E+01 volume
0.31139E+02 ppm1
1.994 ppm2
1.427

OR {8962}

((segid “BrD” and resid 102 and name HB1))

(segid “BrD” and resid 101 and name HG2%)

OR {8962}

((segid “BrD” and resid 56 and name HB2))

(segid “BrD” and resid 22 and name HD2%)

ASSI {9112}

(segid “BrD” and resid 21 and name HG2%)

(segid “BrD” and resid 102 and name HD2%)

2.600
1.700
1.700 peak
9112
weight
0.10000E+01 volume
0.28598E+03 ppm1
1.600 ppm2
1.324

OR {9112}

(segid “BrD” and resid 101 and name HG2%)

(segid “BrD” and resid 102 and name HD1%)

ASSI {9142}

(segid “BrD” and resid 21 and name HG2%)

(segid “BrD” and resid 78 and name HD1%)

3.800
3.600
1.700 peak
9142
weight
0.10000E+01 volume
0.37968E+02 ppm1
1.596 ppm2
0.772

OR {9142}

(segid “BrD” and resid 21 and name HG2%)

(segid “BrD” and resid 81 and name HG2%)

ASSI {9192}

(segid “BrD” and resid 21 and name HD1%)

(segid “BrD” and resid 18 and name HD1%)

2.500
1.600
1.600 peak
9192
weight
0.10000E+01 volume
0.36076E+03 ppm1
1.205 ppm2
1.068

OR {9192}

(segid “BrD” and resid 21 and name HD1%)

((segid “BrD” and resid 78 and name HB2))

ASSI {9662}

((segid “BrD” and resid 79 and name HG1))

(segid “BrD” and resid 83 and name HG2%)

3.000
2.200
2.200 peak
9662
weight
0.10000E+01 volume
0.10300E+03 ppm1
1.031 ppm2
1.900

OR {9662}

((segid “BrD” and resid 79 and name HG1))

((segid “BrD” and resid 116 and name HG11))

ASSI {10002}

((segid “BrD” and resid 54 and name HB1))

(segid “BrD” and resid 81 and name HG1%)

3.600
3.200
1.900 peak
10002
weight
0.10000E+01 volume
0.33897E+02 ppm1
2.585 ppm2
1.043

OR {10002}

((segid “BrD” and resid 42 and name HB2))

(segid “BrD” and resid 37 and name HG1%)

ASSI {10092}

((segid “BrD” and resid 35 and name HG1))

((segid “BrD” and resid 32 and name HA))

3.100
2.400
2.400 peak
10092
weight
0.10000E+01 volume
0.97444E+02 ppm1
3.422 ppm2
4.972

OR {10092}

((segid “BrD” and resid 35 and name HG1))

((segid “BrD” and resid 31 and name HA))

ASSI {10182}

((segid “BrD” and resid 52 and name HB1))

((segid “BrD” and resid 80 and name HG1))

4.100
4.100
1.400 peak
10182
weight
0.10000E+01 volume
0.17926E+02 ppm1
3.621 ppm2
2.345

OR {10182}

((segid “BrD” and resid 84 and name HB1))

((segid “BrD” and resid 80 and name HG1))

ASSI {10302}

((segid “BrD” and resid 42 and name HG1))

((segid “BrD” and resid 39 and name HD1))

3.000
2.200
2.200 peak
10302
weight
0.10000E+01 volume
0.10808E+03 ppm1
2.880 ppm2
2.298

OR {10302}

((segid “BrD” and resid 7 and name HG1))

((segid “BrD” and resid 6 and name HB2))

ASSI {10412}

((segid “BrD” and resid 48 and name HA))

((segid “BrD” and resid 48 and name HB1))

2.800
2.000
2.000 peak
10412
weight
0.10000E+01 volume
0.17461R+03 ppm1
4.831 ppm2
2.762

OR {10412}

((segid “BrD” and resid 67 and name HA))

((segid “BrD” and resid 87 and name HB1))

ASSI {10502}

((segid “BrD” and resid 112 and name HB1))

(segid “BrD” and resid 113 and name HB%)

2.700
1.800
1.800 peak
1.502
weight
0.10000E+01 volume
0.19681E+03 ppm1
2.684 ppm2
1.985

OR {10502}

((segid “BrD” and resid 112 and name HB1))

((segid “BrD” and resid 109 and name HD1))

ASSI {10602}

((segid “BrD” and resid 23 and name HA))

((segid “BrD” and resid 19 and name HA))

3.500
3.100
2.000 peak
10602
weight
0.10000E+01 volume
0.44566E+02 ppm1
4.656 ppm2
4.278

OR {10602}

((segid “BrD” and resid 104 and name HA))

((segid “BrD” and resid 101 and name HA))

ASSI {10902}

((segid “BrD” and resid 70 and name HB1))

((segid “BrD” and resid 11 and name HG1))

3.200
2.600
2.300 peak
10902
weight
0.10000E+01 volume
0.71093E+02 ppm1
4.755 ppm2
2.646

OR {10902}

((segid “BrD” and resid 70 and name HB1))

(segid “BrD” and resid 75 and name HE%)

OR {10902}

((segid “BrD” and resid 93 and name HB2))

((segid “BrD” and resid 97 and name HB1))

OR {10902}

((segid “BrD” and resid 70 and name HB1))

((segid “BrD” and resid 62 and name HB1))

OR {10902}

((segid “BrD” and resid 70 and name HB1))

((segid “BrD” and resid 8 and name HG1))

ASSI {11592}

((segid “BrD” and resid 109 and name HB2))

(segid “BrD” and resid 21 and name HD1%)

3.400
2.900
2.100 peak
11592
weight
0.10000E+01 volume
0.47549E+02 ppm1
2.141 ppm2
1.222

OR {11592}

((segid “BrD” and resid 109 and name HB2))

(segid “BrD” and resid 110 and name HG2%)

ASSI {11652}

((segid “BrD” and resid 59 and name HB2))

(segid “BrD” and resid 58 and name HG2%)

2.900
2.100
2.100 peak
11652
weight
0.10000E+01 volume
0.12259E+03 ppm1
2.487 ppm2
1.660

OR {11652}

((segid “BrD” and resid 59 and name HB2))

(segid “BrD” and resid 22 and name HD1%)

ASSI {12162}

((segid “BrD” and resid 18 and name HA))

(segid “BrD” and resid 21 and name HG2%)

3.600
3.200
1.900 peak
12162
weight
0.10000E+01 volume
0.38701E+02 ppm1
3.866 ppm2
1.591

OR {12162}

((segid “BrD” and resid 18 and name HA))

(segid “BrD” and resid 22 and name HD2%)

ASSI {12172}

((segid “BrD” and resid 6 and name HA))

((segid “BrD” and resid 6 and name HG2))

2.500
1.600
1.600 peak
12172
weight
0.10000E+01 volume
0.31535E+03 ppm1
4.951 ppm2
2.033

OR {12172}

((segid “BrD” and resid 39 and name HA))

((segid “BrD” and resid 39 and name HG1))

ASSI {12302}

(segid “BrD” and resid 86 and name HG2%)

((segid “BrD” and resid 83 and name HA))

3.600
3.200
1.900 peak
12302
weight
0.10000E+01 volume
0.36612E+02 ppm1
0.760 ppm2
4.450

OR {12302}

((segid “BrD” and resid 86 and name HG2))

((segid “BrD” and resid 96 and name HA))

ASSI {12572}

(segid “BrD” and resid 59 and name HE%)

(segid “BrD” and resid 22 and name HD1%)

2.700
1.800
1.800 peak
12572
weight
0.10000E+01 volume
0.19213E+03 ppm1
1.848 ppm2
1.645

OR {12572}

(segid “BrD” and resid 59 and name HE%)

(segid “BrD” and resid 63 and name HD1%)

ASSI {12722}

(segid “BrD” and resid 18 and name HD1%)

((segid “BrD” and resid 68 and name HB2))

3.400
2.900
2.100 peak
12722
weight
0.10000E+01 volume
0.56232E+02 ppm1
1.056 ppm2
3.513

OR {12722}

(segid “BrD” and resid 18 and name HD1%)

((segid “BrD” and resid 75 and name HG1))

ASSI {12742}

((segid “BrD” and resid 72 and name HA))

(segid “BrD” and resid 116 and name HG2%)

3.000
2.200
2.200 peak
12742
weight
0.10000E+01 volume
0.10372E+03 ppm1
4.656 ppm2
1.414

OR {12742}

((segid “BrD” and resid 67 and name HA))

(segid “BrD” and resid 69 and name HG2%)

OR {12742}

((segid “BrD” and resid 111 and name HA))

(segid “BrD” and resid 116 and name HD1%)

ASSI {12862}

((segid “BrD” and resid 62 and name HD1))

(segid “BrD” and resid 54 and name HE%)

3.000
2.200
2.200 peak
12862
weight
0.10000E+01 volume
0.10219E+03 ppm1
3.177 ppm2
3.569

OR {12862}

((segid “BrD” and resid 62 and name HD1))

((segid “BrD” and resid 63 and name HB2))

OR {12862}

((segid “BrD” and resid 62 and name HD1))

((segid “BrD” and resid 54 and name HB1))

ASSI {13242}

((segid “BrD” and resid 46 and name HB2))

(segid “BrD” and resid 38 and name HG2%)

3.500
3.200
2.000 peak
13242
weight
0.10000E+01 volume
0.46826E+02 ppm1
3.080 ppm2
0.791

OR {13242}

((segid “BrD” and resid 46 and name HB2))

((segid “BrD” and resid 50 and name HG12))

ASSI {13322}

(segid “BrD” and resid 78 and name HD2%)

(segid “BrD” and resid 21 and name HG2%)

2.700
3.600
1.800 peak
13322
weight
0.10000E+01 volume
0.21424E+03 ppm1
0.662 ppm2
1.590

OR {13322}

(segid “BrD” and resid 78 and name HD2%)

(segid “BrD” and resid 22 and name HD2%)

ASSI {13352}

(segid “BrD” and resid 18 and name HD2%)

(segid “BrD” and resid 14 and name HB1%)

4.200
4.200
1.300 peak
13352
weight
0.10000E+01 volume
0.14748E+02 ppm1
0.415 ppm2
2.481

OR {13352}

(segid “BrD” and resid 18 and name HD2%)

((segid “BrD” and resid 21 and name HB))

ASSI {13392}

(segid “BrD” and resid 25 and name HG1%)

((segid “BrD” and resid 28 and name HA))

2.600
2.000
2.000 peak
13392
weight
0.10000E+01 volume
0.16152E+03 ppm1
1.795 ppm2
4.566

OR {13392}

(segid “BrD” and resid 25 and name HG1%)

((segid “BrD” and resid 106 and name HA))

ASSI {13592}

(segid “BrD” and resid 56 and name HD2%)

((segid “BrD” and resid 59 and name HB2))

2.600
1.700
1.700 peak
13592
weight
0.10000E+01 volume
0.24679E+03 ppm1
1.254 ppm2
3.499

OR {13592}

(segid “BrD” and resid 56 and name HD2%)

(segid “BrD” and resid 54 and name HE%)

OR {13592}

(segid “BrD” and resid 56 and name HD2%)

((segid “BrD” and resid 26 and name HB1))

ASSI {13602}

(segid “BrD” and resid 54 and name HE%)

((segid “BrD” and resid 37 and name HB2))

2.500
1.600
1.600 peak
13602
weight
0.10000E+01 volume
0.34655E+03 ppm1
2.535 ppm2
2.323

OR {13602}

(segid “BrD” and resid 54 and name HE%)

((segid “BrD” and resid 56 and name HG))

ASSI {13762}

(segid “BrD” and resid 63 and name HD2%)

((segid “BrD” and resid 19 and name HB1))

2.300
1.300
1.300 peak
13762
weight
0.10000E+01 volume
0.59623E+03 ppm1
1.498 ppm2
2.318

OR {13762}

(segid “BrD” and resid 63 and name HD2%)

((segid “BrD” and resid 22 and name HB2))

ASSI {13952}

(segid “BrD” and resid 14 and name HD1%)

((segid “BrD” and resid 14 and name HA))

2.700
1.800
1.800 peak
13952
weight
0.10000E+01 volume
0.20695E+03 ppm1
1.402 ppm2
4.487

OR {13952}

(segid “BrD” and resid 14 and name HD1%)

((segid “BrD” and resid 69 and name HA))

ASSI {14042}

(segid “BrD” and resid 76 and name HB%)

(segid “BrD” and resid 73 and name HD1%)

3.100
2.400
2.400 peak
14042
weight
0.10000E+01 volume
0.97985E+02 ppm1
2.092 ppm2
1.540

OR {14042}

(segid “BrD” and resid 76 and name HB%)

((segid “BrD” and resid 116 and name HG12))

ASSI {14162}

((segid “BrD” and resid 15 and name HA))

(segid “BrD” and resid 63 and name HD2%)

3.600
3.200
1.900 peak
14162
weight
0.10000E+01 volume
0.37938E+02 ppm1
4.609 ppm2
1.490

OR {14162}

((segid “BrD” and resid 60 and name HB2))

(segid “BrD” and resid 63 and name HD2%)

ASSI {14192}

((segid “BrD” and resid 62 and name HA))

((segid “BrD” and resid 68 and name HB2))

3.700
3.400
1.$$00 peak
14192
weight
0.10000E+01 volume
0.29612E+02 ppm1
4.459 ppm2
3.504

OR {14192}

((segid “BrD” and resid 95 and name HA))

((segid “BrD” and resid 89 and name HB2))

ASSI {14202}

((segid “BrD” and resid 95 and name HA))

((segid “BrD” and resid 98 and name HB2))

3.200
2.600
2.300 peak
14202
weight
0.10000E+01 Volume
0.$$1269E+02 ppm1
4.462 ppm2
3.701

OR {14202}

((segid “BrD” and resid 62 and name HA))

((segid “BrD” and resid 68 and name HB1))

ASSI {14312}

(segid “BrD” and resid 22 and name HD2%)

((segid “BrD” and resid 59 and name HB2))

2.700
1.800
1.800 peak
14312
weight
0.10000E+01 volume
0.21510E+03 ppm1
1.599 ppm2
2.501

OR {14312}

(segid “BrD” and resid 22 and name HD2%)

((segid “BrD” and resid 21 and name HB))

OR {14312}

(segid “BrD” and resid 22 and name HD2%)

((segid “BrD” and resid 63 and name HB2))

OR {14312}

(segid “BrD” and resid 22 and name HD2%)

((segid “BrD” and resid 26 and name HB1))

ASSI {14432}

(segid “BrD” and resid 21 and name HD1%)

((segid “BrD” and resid 18 and name HB1))

2.700
1.$$00
1.800 peak
14432
weight
0.10000E+01 volume
0.19246E+03 ppm1
1.205 ppm2
2.148

OR {14432}

(segid “BrD” and resid 21 and name HD1%)

((segid “BrD” and resid 102 and name HG))

ASSI {14462}

(segid “BrD” and resid 110 and name HD1%)

(segid “BrD” and resid 116 and name HD1%)

2.100
1.100
1.100 peak
14462
weight
0.10000E+01 volume
0.89267E+03 ppm1
1.154 ppm2
1.387

OR {14462}

(segid “BrD” and resid 110 and name HD1%)

(segid “BrD” and resid 115 and name HD1%)

ASSI {14602}

(segid “BrD” and resid 18 and name HD1%)

(segid “BrD” and resid 115 and name HD1%)

3.500
3.100
2.000 peak
14602
weight
0.10000E+01 volume
0.42578E+02 ppm1
1.057 ppm2
1.327

OR {14602}

(segid “BrD” and resid 18 and name HD1%)

((segid “BrD” and resid 78 and name HB1))

ASSI {14642}

((segid “BrD” and resid 18 and name HA))

(segid “BrD” and resid 102 and name HD2%)

4.400
4.400
1.100 peak
14642
weight
0.10000E+01 volume
0.11486E+02 ppm1
3.867 ppm2
1.320

OR {14642}

((segid “BrD” and resid 16 and name HA))

(segid “BrD” and resid 115 and name HD1%)

OR {14642}

((segid “BrD” and resid 18 and name HA))

((segid “BrD” and resid 78 and name HB1))

ASSI {14682}

(segid “BrD” and resid 22 and name HD1%)

((segid “BrD” and resid 64 and name HG1))

3.000
2.200
2.200 peak
14682
weight
0.10000E+01 volume
0.10496E+03 ppm1
1.645 ppm2
2.186

OR {14682}

((segid “BrD” and resid 110 and name HG12))

((segid “BrD” and resid 115 and name HB1))

ASSI {14692}

(segid “BrD” and resid 63 and name HD2%)

((segid “BrD” and resid 19 and name HD1))

2.300
1.300
1.300 peak
14692
weight
0.10000E+01 volume
0.59246E+03 ppm1
1.498 ppm2
2.191

OR {14692}

(segid “BrD” and resid 63 and name HD2%)

((segid “BrD” and resid 64 and name HG1))

ASSI {14792}

(segid “BrD” and resid 22 and name HD2%)

((segid “BrD” and resid 56 and name HA))

2.600
1.700
1.700 peak
14792
weight
0.10000E+01 volume
0.26795E+03 ppm1
1.599 ppm2
4.639

OR {14792}

(segid “BrD” and resid 22 and name HD2%)

((segid “BrD” and resid 60 and name HB2))

ASSI {14802}

((segid “BrD” and resid 86 and name HD1))

((segid “BrD” and resid 83 and name HA))

2.700
1.800
1.800 peak
14802
weight
0.10000E+01 volume
0.19483E+03 ppm1
1.896 ppm2
4.461

OR {14802}

((segid “BrD” and resid 103 and name HB2))

((segid “BrD” and resid 99 and name HA))

ASSI {14862}

((segid “BrD” and resid 54 and name HA))

(segid “BrD” and resid 81 and name HG1%)

3.800
3.600
1.700 peak
14862
weight
0.10000E+01 volume
0.25126E+02 ppm1
5.543 ppm2
1.076

OR {14862}

((segid “BrD” and resid 54 and name HA))

(segid “BrD” and resid 38 and name HG1%)

ASSI {14872}

(segid “BrD” and resid 81 and name HG1%)

((segid “BrD” and resid 80 and name HB2))

2.900
2.100
2.100 peak
14872
weight
0.10000E+01 volume
0.14378E+03 ppm1
1.058 ppm2
2.565

OR {14872}

(segid “BrD” and resid 81 and name HG1%)

((segid “BrD” and resid 80 and name HB1))

OR {14872}

(segid “BrD” and resid 81 and name HG1%)

(segid “BrD” and resid 54 and name HE%)

OR {14872}

(segid “BrD” and resid 81 and name HG1%)

((segid “BrD” and resid 54 and name HB1))

ASSI {14882}

(segid “BrD” and resid 81 and name HG1%)

((segid “BrD” and resid 56 and name HG))

3.500
3.100
2.000 peak
14882
weight
0.10000E+01 volume
0.44935E+02 ppm1
1.058 ppm2
2.328

OR {14882}

(segid “BrD” and resid 38 and name HG1%)

((segid “BrD” and resid 37 and name HB2))

ASSI {15202}

((segid “BrD” and resid 72 and name HA))

((segid “BrD” and resid 75 and name HG2))

4.000
4.000
1.500 peak
15202
weight
0.10000E+01 volume
0.18586E+02 ppm1
4.656 ppm2
3.224

OR {15202}

((segid “BrD” and resid 61 and name HA))

((segid “BrD” and resid 59 and name HG2))

OR {15202}

((segid “BrD” and resid 61 and name HA))

((segid “BrD” and resid 59 and name HG1))

ASSI {15382}

((segid “BrD” and resid 74 and name HA))

(segid “BrD” and resid 75 and name H$$%)

3.200
2.600
2.300 peak
15382
weight
0.10000E+01 volume
0.70547E+02 ppm1
4.362 ppm2
2.653

OR {15382}

((segid “BrD” and resid 74 and name HA))

((segid “BrD” and resid 59 and name HB1))

ASSI {15392}

((segid “BrD” and resid 74 and name HB1))

((segid “BrD” and resid 73 and name HB2))

3.200
2.600
2.300 peak
15392
weight
0.10000E+01 volume
0.74692E+02 ppm1
1.572 ppm2
2.471

OR {15392}

((segid “BrD” and resid 74 and name HB1))

((segid “BrD” and resid 63 and name HG))

ASSI {15532}

((segid “BrD” and resid 82 and name HB2))

((segid “BrD” and resid 103 and name HB1))

3.100
2.400
2.400 peak
15532
weight
0.10000E+01 volume
0.91508E+02 ppm1
3.573 ppm2
1.344

OR {15532}

((segid “BrD” and resid 82 and name HB2))

((segid “BrD” and resid 86 and name HB1))

ASSI {15542}

((segid “BrD” and resid 82 and name HB1))

((segid “BrD” and resid 103 and name HB1))

3.100
2.400
2.400 peak
15542
weight
0.10000E+01 volume
0.94295E+02 ppm1
3.672 ppm2
2.344

OR {15542}

((segid “BrD” and resid 107 and name HB1))

((segid “BrD” and resid 110 and name HB))

OR {15542}

((segid “BrD” and resid 107 and name HB1))

((segid “BrD” and resid 103 and name HB1))

OR {15542}

((segid “BrD” and resid 106 and name HB2))

((segid “BrD” and resid 21 and name HG11))

ASSI {15562}

((segid “BrD” and resid 82 and name HB1))

((segid “BrD” and resid 103 and name HB2))

3.500
3.100
2.000 peak
15562
weight
0.10000E+01 volume
0.43748E+02 ppm1
3.671 ppm2
1.897

OR {15562}

((segid “BrD” and resid 82 and name HB1))

(segid “BrD” and resid 83 and name HG2%)

ASSI {15572}

((segid “BrD” and resid 106 and name HB2))

((segid “BrD” and resid 110 and name HG11))

5.500
5.500
0.000 peak
15572
weight
0.10000E+01 volume
0.17071E+01 ppm1
3.671 ppm2
1.722

OR {15572}

((segid “BrD” and resid 107 and name HB1))

((segid “BrD” and resid 110 and name HG11))

OR {15572}

((segid “BrD” and resid 106 and name HB2))

(segid “BrD” and resid 17 and name HG2%)

ASSI {15582}

((segid “BrD” and resid 15 and name HB2))

(segid “BrD” and resid 63 and name HD1%)

3.300
2.700
2.200 peak
15582
weight
0.10000E+01 volume
0.63452E+02 ppm1
3.671 ppm2
1.653

OR {15582}

((segid “BrD” and resid 106 and name HB2))

((segid “BrD” and resid 110 and name HG12))

OR {15582}

((segid “BrD” and resid 107 and name HB1))

((segid “BrD” and resid 110 and name HG12))

ASSI {15722}

((segid “BrD” and resid 52 and name HB1))

((segid “BrD” and resid 80 and name HB1))

4.700
4.700
0.800 peak
15722
weight
0.10000E+01 volume
0.74610E+01 ppm1
3.620 ppm2
3.597

OR {15722}

((segid “BrD” and resid 84 and name HB1))

((segid “BrD” and resid 87 and name HB2))

OR {15722}

((segid “BrD” and resid 84 and name HB1))

((segid “BrD” and resid 80 and name HB1))

OR {15722}

((segid “BrD” and resid 65 and name HB1))

((segid “BrD” and resid 64 and name HB1))

ASSI {16012}

((segid “BrD” and resid 68 and name HA))

(segid “BrD” and resid 69 and name HG2%)

3.700
3.400
1.800 peak
16012
weight
0.10000E+01 volume
0.30406E+02 ppm1
5.148 ppm2
1.433

OR {16012}

((segid “BrD” and resid 68 and name HA))

(segid “BrD” and resid 14 and name HD2%)

ASSI {16172}

((segid “BrD” and resid 68 and name HB1))

(segid “BrD” and resid 63 and name HD1%)

3.600
3.200
1.900 peak
16172
weight
0.10000E+01 volume
0.37293E+02 ppm1
3.668 ppm2
1.645

OR {16172}

((segid “BrD” and resid 68 and name HB1))

(segid “BrD” and resid 22 and name HD1%)

ASSI {16182}

((segid “BrD” and resid 68 and name HB2))

(segid “BrD” and resid 63 and name HD1%)

3.800
3.600
1.700 peak
16182
weight
0.10000E+01 volume
0.27740E+02 ppm1
3.522 ppm2
1.645

OR {16182}

((segid “BrD” and resid 68 and name HB2))

(segid “BrD” and resid 22 and name HD2%)

ASSI {16362}

((segid “BrD” and resid 97 and name HE1))

(segid “BrD” and resid 101 and name HD1%)

3.000
2.200
2.200 peak
16362
weight
0.10000E+01 volume
0.11543E+03 ppm1
3.571 ppm2
1.580

OR {16362}

((segid “BrD” and resid 64 and name HE1))

(segid “BrD” and resid 22 and name HD2%)

OR {16362}

((segid “BrD” and resid 97 and name HE1))

(segid “BrD” and resid 101 and name HG2%)

ASSI {16372}

((segid “BrD” and resid 88 and name HB1))

((segid “BrD” and resid 50 and name HG11))

2.900
2.100
2.100 peak
16372
weight
0.10000E+01 volume
0.13106E+03 ppm1
3.522 ppm2
1.401

OR {16372}

(segid “BrD” and resid 111 and name HE1%)

(segid “BrD” and resid 116 and name HD1%)

ASSI {16482}

((segid “BrD” and resid 96 and name HA))

((segid “BrD” and resid 85 and name HB1))

3.800
3.600
1.700 peak
16482
weight
0.10000E+01 volume
0.24633E+02 ppm1
4.409 ppm2
3.891

OR {16482}

((segid “BrD” and resid 107 and name HA))

((segid “BrD” and resid 106 and name HB1))

ASSI {16572}

((segid “BrD” and resid 96 and name HB2))

((segid “BrD” and resid 86 and name HA))

4.100
4.100
1.400 peak
16572
weight
0.10000E+01 volume
0.16756E+02 ppm1
3.132 ppm2
4.804

OR {16572}

((segid “BrD” and resid 96 and name HB2))

((segid “BrD” and resid 92 and name HA))

ASSI {16582}

((segid “BrD” and resid 96 and name HB1))

((segid “BrD” and resid 92 and name HA))

3.800
3.600
1.700 peak
16582
weight
0.10000E+01 volume
0.28094E+02 ppm1
4.004 ppm2
4.808

OR {16582}

((segid “BrD” and resid 96 and name HB1))

((segid “BrD” and resid 97 and name HA))

OR {16582}

((segid “BrD” and resid 96 and name HB1))

((segid “BrD” and resid 94 and name HA))

ASSI {16782}

((segid “BrD” and resid 95 and name HB1))

((segid “BrD” and resid 85 and name HA))

3.200
2.600
2.300 peak
16782
weight
0.10000E+01 volume
0.73175E+02 ppm1
3.620 ppm2
4.995

OR {16782}

((segid “BrD” and resid 95 and name HB1))

((segid “BrD” and resid 93 and name HB1))

OR {16782}

((segid “BrD” and resid 84 and name HB1))

((segid “BrD” and resid 85 and name HA))

ASSI {16852}

((segid “BrD” and resid 82 and name HB1))

(segid “BrD” and resid 107 and name HE%)

3.000
2.200
2.200 peak
16852
weight
0.10000E+01 volume
0.10680E+03 ppm1
3.670 ppm2
7.896

OR {16852}

((segid “BrD” and resid 107 and name HB1))

(segid “BrD” and resid 107 and name HE%)

ASSI {17112}

((segid “BrD” and resid 95 and name HB2))

((segid “BrD” and resid 32 and name HH2))

3.500
3.100
2.000 peak
17112
weight
0.10000E+01 volume
0.46090E+02 ppm1
3.366 ppm2
7.754

OR {17112}

((segid “BrD” and resid 95 and name HB2))

(segid “BrD” and resid 34 and name HE%)

OR {17112}

((segid “BrD” and resid 95 and name HB2))

(segid “BrD” and resid 96 and name HD%)

ASSI {17122}

((segid “BrD” and resid 105 and name HB1))

(segid “BrD” and resid 25 and name HG1%)

3.400
2.900
2.100 peak
17122
weight
0.10000E+01 volume
0.47791E+02 ppm1
3.721 ppm2
1.824

OR {17122}

((segid “BrD” and resid 105 and name HB1))

((segid “BrD” and resid 102 and name HB2))

ASSI {17132}

((segid “BrD” and resid 106 and name HB2))

((segid “BrD” and resid 102 and name HB2))

3.500
3.100
2.000 peak
17132
weight
0.10000E+01 volume
0.42104E+02 ppm1
3.668 ppm2
2.824

OR {17132}

((segid “BrD” and resid 105 and name HB2))

(segid “BrD” and resid 25 and name HG1%)

OR {17132}

((segid “BrD” and resid 106 and name HB2))

(segid “BrD” and resid 25 and name HG1%)

ASSI {17142}

((segid “BrD” and resid 106 and name HB2))

(segid “BrD” and resid 21 and name HG2%)

3.700
3.400
1.800 peak
17142
weight
0.10000E+01 volume
0.28702E+02 ppm1
3.668 ppm2
1.612

OR {17142}

((segid “BrD” and resid 105 and name HB2))

(segid “BrD” and resid 101 and name HG2%)

OR {17142}

((segid “BrD” and resid 106 and name HB2))

(segid “BrD” and resid 21 and name HG2%)

ASSI {17272}

((segid “BrD” and resid 116 and name HA))

(segid “BrD” and resid 110 and name HG2%)

4.000
4.000
1.500 peak
17272
weight
0.10000E+01 volume
0.18200E+02 ppm1
4.804 ppm2
1.262

OR {17272}

((segid “BrD” and resid 57 and name HA))

(segid “BrD” and resid 56 and name HD2%)

ASSI {17322}

((segid “BrD” and resid 59 and name HA))

((segid “BrD” and resid 62 and name HG2))

4.200
4.200
1.300 peak
17322
weight
0.10000E+01 volume
0.13830E+02 ppm1
4.903 ppm2
1.490

OR {17322}

((segid “BrD” and resid 20 and name HA))

(segid “BrD” and resid 63 and name HD2%)

ASSI {17492}

((segid “BrD” and resid 34 and name HA))

((segid “BrD” and resid 31 and name HA))

3.300
2.700
2.200 peak
17492
weight
0.10000E+01 volume
0.57702E+02 ppm1
5.544 ppm2
4.989

OR {17492}

((segid “BrD” and resid 34 and name HA))

((segid “BrD” and resid 32 and name HA))

ASSI {17522}

((segid “BrD” and resid 34 and name HA))

(segid “BrD” and resid 54 and name HE%)

4.000
4.000
1.500 peak
17522
weight
0.10000E+01 volume
0.19574E+02 ppm1
5.544 ppm2
2.564

OR {17522}

((segid “BrD” and resid 34 and name HA))

((segid “BrD” and resid 37 and name HG2))

ASSI {17682}

((segid “BrD” and resid 33 and name HG1))

((segid “BrD” and resid 32 and name HE3))

4.900
4.900
0.600 peak
17682
weight
0.10000E+01 volume
0.54467E+01 ppm1
0.859 ppm2
7.926

OR {17682}

((segid “BrD” and resid 33 and name HG1))

((segid “BrD” and resid 34 and name HZ))

ASSI {17692}

((segid “BrD” and resid 33 and name HG1))

((segid “BrD” and resid 32 and name HZ3))

4.000
4.000
1.500 peak
17692
weight
0.10000E+01 volume
0.18980E+02 ppm1
0.859 ppm2
7.803

OR {17692}

((segid “BrD” and resid 33 and name HG1))

(segid “BrD” and resid 34 and name HE%)

ASSI {17702}

((segid “BrD” and resid 33 and name HG1))

((segid “BrD” and resid 32 and name HH2))

4.100
4.100
1.400 peak
17702
weight
0.10000E+01 volume
0.16294E+02 ppm1
0.859 ppm2
7.745

OR {17702}

((segid “BrD” and resid 33 and name HG1))

(segid “BrD” and resid 34 and name HE%)

ASSI {17892}

((segid “BrD” and resid 33 and name HD1))

(segid “BrD” and resid 34 and name HD%)

3.400
2.900
2.100 peak
17892
weight
0.10000E+01 volume
0.51743E+02 ppm1
2.783 ppm2
7.720

OR {17892}

((segid “BrD” and resid 33 and name HD1))

((segid “BrD” and resid 32 and name HH2))

ASSI {17972}

((segid “BrD” and resid 33 and name HB2))

((segid “BrD” and resid 32 and name HZ3))

3.500
3.100
2.000 peak
17972
weight
0.10000E+01 volume
0.44678E+02 ppm1
−0.176 ppm2
7.789

OR {17972}

((segid “BrD” and resid 33 and name HB2))

(segid “BrD” and resid 34 and name HE%)

ASSI {18022}

((segid “BrD” and resid 59 and name HG2))

((segid “BrD” and resid 60 and name HB2))

3.200
2.600
2.300 peak
18022
weight
0.10000E+01 volume
0.69853E+02 ppm1
3.227 ppm2
4.664

OR {18022}

((segid “BrD” and resid 75 and name HG2))

((segid “BrD” and resid 72 and name HA))

OR {18022}

((segid “BrD” and resid 59 and name HG1))

((segid “BrD” and resid 60 and name HB2))

OR {18022}

((segid “BrD” and resid 59 and name HG2))

((segid “BrD” and resid 58 and name HB))

OR {18022}

((segid “BrD” and resid 59 and name HG1))

((segid “BrD” and resid 58 and name HB))

ASSI {18032}

((segid “BrD” and resid 75 and name HG2))

((segid “BrD” and resid 74 and name HB1))

3.400
2.900
2.100 peak
18032
weight
0.10000E+01 volume
0.48637E+02 ppm1
3.226 ppm2
3.597

OR {18032}

((segid “BrD” and resid 59 and name HG1))

((segid “BrD” and resid 74 and name HB1))

OR {18032}

((segid “BrD” and resid 59 and name HG2))

((segid “BrD” and resid 74 and name HB1))

OR {18032}

((segid “BrD” and resid 59 and name HG1))

((segid “BrD” and resid 67 and name HB1))

ASSI {18252}

(segid “BrD” and resid 35 and name HE%)

((segid “BrD” and resid 60 and name HB2))

3.500
3.100
2.000 peak
18252
weight
0.10000E+01 volume
0.44998E+02 ppm1
2.782 ppm2
4.631

OR {18252}

(segid “BrD” and resid 35 and name HE%)

((segid “BrD” and resid 56 and name HA))

ASSI {18332}

(segid “BrD” and resid 35 and name HE%)

((segid “BrD” and resid 25 and name HB))

3.700
3.400
1.800 peak
18332
weight
0.10000E+01 volume
0.33097E+02 ppm1
2.782 ppm2
3.003

OR {18332}

(segid “BrD” and resid 35 and name HE%)

((segid “BrD” and resid 55 and name HB1))

ASSI {18342}

(segid “BrD” and resid 35 and name HE%)

((segid “BrD” and resid 35 and name HB1))

1.700
1.700
2.800 peak
18342
weight
0.10000E+01 volume
0.31606E+04 ppm1
2.781 ppm2
2.841

OR {18342}

(segid “BrD” and resid 35 and name HE%)

((segid “BrD” and resid 57 and name HB2))

ASSI {18392}

(segid “BrD” and resid 35 and name HE%)

((segid “BrD” and resid 57 and name HD1))

2.500
1.600
1.600 peak
18392
weight
0.10000E+01 volume
0.33173E+03 ppm1
2.782 ppm2
2.361

OR {18392}

(segid “BrD” and resid 35 and name HE%)

((segid “BrD” and resid 56 and name HG))

ASSI {18402}

(segid “BrD” and resid 35 and name HE%)

(segid “BrD” and resid 31 and name HB%)

2.300
1.300
1.300 peak
18402
weight
0.10000E+01 volume
0.54118E+03 ppm1
2.782 ppm2
2.312

OR {18402}

(segid “BrD” and resid 35 and name HE%)

((segid “BrD” and resid 57 and name HD2))

OR {18402}

(segid “BrD” and resid 35 and name HE%)

((segid “BrD” and resid 56 and name HG))

ASSI {18432}

(segid “BrD” and resid 35 and name HE%)

((segid “BrD” and resid 57 and name HG1))

2.800
2.000
2.000 peak
18432
weight
0.10000E+01 volume
0.16595E+03 ppm1
2.780 ppm2
2.118

OR {18432}

(segid “BrD” and resid 35 and name HE%)

((segid “BrD” and resid 26 and name HD1))

ASSI {18522}

(segid “BrD” and resid 75 and name HE%)

((segid “BrD” and resid 71 and name HA))

2.600
1.700
1.700 peak
18522
weight
0.10000E+01 volume
0.24378E+03 ppm1
2.635 ppm2
4.663

OR {18522}

(segid “BrD” and resid 75 and name HE%)

((segid “BrD” and resid 14 and name HA))

ASSI {18532}

(segid “BrD” and resid 75 and name HE%)

((segid “BrD” and resid 110 and name HA))

4.200
4.200
1.300 peak
18532
weight
0.10000E+01 volume
0.13873E+02 ppm1
2.633 ppm2
4.383

OR {18532}

(segid “BrD” and resid 75 and name HE%)

((segid “BrD” and resid 74 and name HA))

ASSI {18592}

(segid “BrD” and resid 75 and name HE%)

(segid “BrD” and resid 74 and name HE%)

3.600
3.200
1.900 peak
18592
weight
0.10000E+01 volume
0.36365E+02 ppm1
2.634 ppm2
7.552

OR {18592}

(segid “BrD” and resid 75 and name HE%)

(segid “BrD” and resid 106 and name HD%)

ASSI {18822}

(segid “BrD” and resid 75 and name HE%)

((segid “BrD” and resid 116 and name HG12))

3.300
2.700
2.200 peak
18822
weight
0.10000E+01 volume
0.58075E+02 ppm1
2.635 ppm2
1.588

OR {18822}

(segid “BrD” and resid 75 and name HE%)

(segid “BrD” and resid 21 and name HG2%)

ASSI {18832}

(segid “BrD” and resid 75 and name HE%)

(segid “BrD” and resid 63 and name HD1%)

3.400
2.900
2.100 peak
18832
weight
0.10000E+01 volume
0.54622E+02 ppm1
2.635 ppm2
1.657

OR {18832}

(segid “BrD” and resid 75 and name HE%)

((segid “BrD” and resid 110 and name HG12))

OR {18832}

(segid “BrD” and resid 75 and name HE%)

((segid “BrD” and resid 21 and name HG12))

ASSI {18912}

(segid “BrD” and resid 75 and name HE%)

((segid “BrD” and resid 14 and name HB2))

2.700
1.800
1.800 peak
18912
weight
0.10000E+01 volume
0.20227E+03 ppm1
2.635 ppm2
2.126

OR {18912}

(segid “BrD” and resid 75 and name HE%)

((segid “BrD” and resid 115 and name HG))

ASSI {18942}

(segid “BrD” and resid 75 and name HE%)

((segid “BrD” and resid 21 and name HG11))

3.700
3.400
1.800 peak
18942
weight
0.10000E+01 volume
0.30880E+02 ppm1
2.636 ppm2
2.344

OR {18942}

(segid “BrD” and resid 75 and name HE%)

((segid “BrD” and resid 110 and name HB))

OR {18942}

(segid “BrD” and resid 75 and name HE%)

((segid “BrD” and resid 109 and name HB1))

ASSI {18962}

((segid “BrD” and resid 57 and name HB1))

((segid “BrD” and resid 37 and name HD1))

3.100
2.400
2.400 peak
18962
weight
0.10000E+01 volume
0.84483E+02 ppm1
2.931 ppm2
4.289

OR {18962}

((segid “BrD” and resid 37 and name HB1))

((segid “BrD” and resid 37 and name HD1))

ASSI {19022}

((segid “BrD” and resid 75 and name HA))

((segid “BrD” and resid 78 and name HB2))

2.500
1.600
1.600 peak
19022
weight
0.10000E+01 volume
0.30551E+03 ppm1
4.508 ppm2
1.043

OR {19022}

((segid “BrD” and resid 75 and name HA))

(segid “BrD” and resid 18 and name HD1%)

ASSI {19222}

(segid “BrD” and resid 43 and name HB%)

((segid “BrD” and resid 42 and name HB1))

4.500
4.500
1.000 peak
19222
weight
0.10000E+01 volume
0.92899E+01 ppm1
1.697 ppm2
2.768

OR {19222}

(segid “BrD” and resid 43 and name HB%)

((segid “BrD” and resid 44 and name HG1))

ASSI {19332}

(segid “BrD” and resid 31 and name HB%)

((segid “BrD” and resid 26 and name HB1))

3.600
3.200
1.900 peak
19332
weight
0.10000E+01 volume
0.33671E+02 ppm1
2.289 ppm2
2.466

OR {19332}

(segid “BrD” and resid 31 and name HB%)

((segid “BrD” and resid 21 and name HB))

ASSI {19342}

(segid “BrD” and resid 31 and name HB%)

((segid “BrD” and resid 56 and name HB1))

3.300
2.700
2.200 peak
19342
weight
0.10000E+01 volume
0.60076E+02 ppm1
2.289 ppm2
2.719

OR {19342}

(segid “BrD” and resid 31 and name HB%)

((segid “BrD” and resid 29 and name HB1))

ASSI {19402}

(segid “BrD” and resid 31 and name HB%)

((segid “BrD” and resid 29 and name HA))

3.600
3.200
1.900 peak
19402
weight
0.1000E+01 volume
0.34186E+02 ppm1
2.289 ppm2
4.810

OR {19402}

(segid “BrD” and resid 31 and name HB%)

((segid “BrD” and resid 24 and name HA))

ASSI {19452}

((segid “BrD” and resid 73 and name HB2))

((segid “BrD” and resid 72 and name HA))

3.800
3.600
1.700 peak
19452
weight
0.10000E+01 volume
0.27108E+02 ppm1
2.486 ppm2
4.672

OR {19452}

((segid “BrD” and resid 73 and name HB2))

((segid “BrD” and resid 69 and name HA))

ASSI {19462}

((segid “BrD” and resid 73 and name HB1))

((segid “BrD” and resid 72 and name HA))

3.900
3.800
1.600 peak
19462
weight
0.10000E+01 volume
0.22158E+02 ppm1
2.583 ppm2
4.672

OR {19462}

((segid “BrD” and resid 73 and name HB1))

((segid “BrD” and resid 69 and name HA))

ASSI {19472}

(segid “BrD” and resid 99 and name HB%)

((segid “BrD” and resid 86 and name HB1))

2.400
2.400
1.400 peak
19472
weight
0.10000E+01 volume
0.42620E+03 ppm1
2.190 ppm2
2.359

OR {19472}

(segid “BrD” and resid 99 and name HB%)

((segid “BrD” and resid 103 and name HB1))

ASSI {19562}

(segid “BrD” and resid 76 and name HB%)

((segid “BrD” and resid 51 and name HB1))

1.800
1.800
2.700 peak
19562
weight
0.10000E+01 volume
0.21948E+04 ppm1
2.092 ppm2
3.946

OR {19562}

(segid “BrD” and resid 76 and name HB%)

((segid “BrD” and resid 116 and name HG11))

OR {19562}

(segid “BrD” and resid 76 and name HB%)

((segid “BrD” and resid 51 and name HG1))

ASSI {19712}

(segid “BrD” and resid 99 and name HB%)

((segid “BrD” and resid 98 and name HB1))

3.300
2.700
2.200 peak
19712
weight
0.10000E+01 volume
0.62693E+02 ppm1
2.190 ppm2
3.988

OR {19712}

(segid “BrD” and resid 99 and name HB%)

((segid “BrD” and resid 96 and name HB1))

ASSI {19862}

((segid “BrD” and resid 102 and name HA))

((segid “BrD” and resid 105 and name HA))

4.200
4.200
1.300 peak
19862
weight
0.10000E+01 volume
0.13941E+02 ppm1
4.261 ppm2
4.924

OR {19862}

((segid “BrD” and resid 102 and name HA))

((segid “BrD” and resid 30 and name HB1))

ASSI {19872}

((segid “BrD” and resid 102 and name HA))

(segid “BrD” and resid 105 and name HD%)

2.700
1.800
1.800 peak
19872
weight
0.10000E+01 volume
0.22737E+03 ppm1
4.261 ppm2
7.779

OR {19872}

((segid “BrD” and resid 102 and name HA))

(segid “BrD” and resid 34 and name HE%)

ASSI {19892}

((segid “BrD” and resid 113 and name HA))

((segid “BrD” and resid 115 and name HG))

3.600
3.200
1.900 peak
19892
weight
0.10000E+01 volume
0.36454E+02 ppm1
4.903 ppm2
2.133

OR {19892}

((segid “BrD” and resid 113 and name HA))

((segid “BrD” and resid 14 and name HB2))

ASSI {19932}

((segid “BrD” and resid 113 and name HA))

((segid “BrD” and resid 112 and name HA))

3.400
2.900
2.100 peak
19932
weight
0.10000E+01 volume
0.55030E+02 ppm1
4.903 ppm2
4.598

OR {19932}

((segid “BrD” and resid 113 and name HA))

((segid “BrD” and resid 114 and name HA1))

ASSI {19972}

(segid “BrD” and resid 113 and name HB%)

(segid “BrD” and resid 75 and name HE%)

3.400
2.900
2.100 peak
19972
weight
0.10000E+01 volume
0.53194E+02 ppm1
1.991 ppm2
2.662

OR {19972}

(segid “BrD” and resid 113 and name HB%)

((segid “BrD” and resid 112 and name HB1))

ASSI {20002}

(segid “BrD” and resid 113 and name HB%)

((segid “BrD” and resid 18 and name HG))

2.700
1.800
1.800 peak
20002
weight
0.10000E+01 volume
0.18667E+03 ppm1
1.991 ppm2
2.304

OR {20002}

(segid “BrD” and resid 113 and name HB%)

((segid “BrD” and resid 110 and name HB))

OR {20002}

(segid “BrD” and resid 113 and name HB%)

((segid “BrD” and resid 109 and name HB1))

ASSI {20012}

(segid “BrD” and resid 113 and name HB%)

((segid “BrD” and resid 110 and name HB))

3.900
3.800
1.600 peak
20012
weight
0.10000E+01 volume
0.22660E+02 ppm1
1.990 ppm2
2.369

OR {20012}

(segid “BrD” and resid 113 and name HB%)

((segid “BrD” and resid 109 and name HB1))

ASSI {20022}

(segid “BrD” and resid 113 and name HB%)

((segid “BrD” and resid 115 and name HG))

3.300
2.700
2.200 peak
20022
weight
0.10000E+01 volume
0.61319E+02 ppm1
1.990 ppm2
2.135

OR {20022}

(segid “BrD” and resid 113 and name HB%)

((segid “BrD” and resid 14 and name HB2))

ASSI {20062}

((segid “BrD” and resid 110 and name HA))

(segid “BrD” and resid 116 and name HD1%)

3.100
2.400
2.400 peak
20062
weight
0.10000E+01 volume
0.82911E+02 ppm1
4.411 ppm2
1.410

OR {20062}

((segid “BrD” and resid 110 and name HA))

((segid “BrD” and resid 109 and name HG1))

ASSI {20122}

(segid “BrD” and resid 113 and name HB%)

((segid “BrD” and resid 114 and name HA1))

3.700
3.400
1.800 peak
20122
weight
0.10000E+01 volume
0.29578E+02 ppm1
1.994 ppm2
4.564

OR {20122}

(segid “BrD” and resid 113 and name HB%)

((segid “BrD” and resid 17 and name HA))

ASSI {20152}

(segid “BrD” and resid 113 and name HB%)

(segid “BrD” and resid 14 and name HD1%)

2.700
1.800
1.800 peak
20152
weight
0.10000E+01 volume
0.21357E+03 ppm1
1.995 ppm2
1.425

OR {20152}

(segid “BrD” and resid 113 and name HB%)

(segid “BrD” and resid 14 and name HD2%)

OR {20152}

(segid “BrD” and resid 113 and name HB%)

((segid “BrD” and resid 109 and name HG1))

ASSI {20182}

((segid “BrD” and resid 17 and name HB))

((segid “BrD” and resid 14 and name HB2))

3.400
2.900
2.100 peak
20182
weight
0.10000E+01 volume
0.54504E+02 ppm1
4.853 ppm2
2.149

OR {20182}

((segid “BrD” and resid 17 and name HB))

((segid “BrD” and resid 18 and name HB1))

OR {20182}

((segid “BrD” and resid 17 and name HB))

((segid “BrD” and resid 109 and name HB2))

ASSI {20202}

((segid “BrD” and resid 17 and name HB))

(segid “BrD” and resid 21 and name HD1%)

4.300
4.300
1.200 peak
20202
weight
0.10000E+01 volume
0.12632E+02 ppm1
4.853 ppm2
1.222

OR {20202}

((segid “BrD” and resid 17 and name HB))

(segid “BrD” and resid 110 and name HG2%)

ASSI {20222}

(segid “BrD” and resid 17 and name HG2%)

((segid “BrD” and resid 14 and name HA))

2.200
1.200
1.200 peak
20222
weight
0.10000E+01 volume
0.69704E+03 ppm1
1.747 ppm2
4.666

OR {20222}

(segid “BrD” and resid 17 and name HG2%)

((segid “BrD” and resid 109 and name HA))

OR {20222}

(segid “BrD” and resid 17 and name HG2%)

((segid “BrD” and resid 20 and name HB1))

ASSI {20262}

(segid “BrD” and resid 17 and name HG2%)

((segid “BrD” and resid 109 and name HB1))

2.500
1.600
1.600 peak
20262
weight
0.10000E+01 volume
0.34655E+03 ppm1
1.747 ppm2
2.352

OR {20262}

(segid “BrD” and resid 17 and name HG2%)

((segid “BrD” and resid 21 and name HG11))

ASSI {20322}

((segid “BrD” and resid 20 and name HB1))

((segid “BrD” and resid 21 and name HG11))

2.300
2.300
2.200 peak
20322
weight
0.10000E+01 volume
0.47335E+03 ppm1
4.656 ppm2
2.320

OR {20322}

((segid “BrD” and resid 20 and name HB1))

((segid “BrD” and resid 19 and name HB1))

OR {20322}

((segid “BrD” and resid 20 and name HB1))

((segid “BrD” and resid 109 and name HB1))

ASSI {20632}

((segid “BrD” and resid 112 and name HG2))

((segid “BrD” and resid 109 and name HD1))

3.100
2.400
2.400 peak
20632
weight
0.10000E+01 volume
0.87177E+02 ppm1
2.832 ppm2
1.997

OR {20632}

((segid “BrD” and resid 112 and name HG2))

((segid “BrD” and resid 111 and name HG1))

OR {20632}

((segid “BrD” and resid 112 and name HG2))

(segid “BrD” and resid 113 and name HB%)

ASSI {20652}

((segid “BrD” and resid 111 and name HA))

(segid “BrD” and resid 115 and name HD1%)

3.800
3.600
1.700 peak
20652
weight
0.10000E+01 volume
0.25940E+02 ppm1
4.656 ppm2
1.319

OR {20652}

((segid “BrD” and resid 104 and name HA))

(segid “BrD” and resid 102 and name HD2%)

OR {20652}

((segid “BrD” and resid 72 and name HA))

(segid “BrD” and resid 115 and name HD1%)

OR {20652}

((segid “BrD” and resid 104 and name HA))

(segid “BrD” and resid 102 and name HD1%)

OR {20652}

((segid “BrD” and resid 72 and name HA))

((segid “BrD” and resid 78 and name HB1))

ASSI {20662}

((segid “BrD” and resid 61 and name HA))

((segid “BrD” and resid 62 and name HB2))

3.300
2.700
2.200 peak
20662
weight
0.10000E+01 volume
0.56653E+02 ppm1
4.656 ppm2
1.710

OR {20662}

((segid “BrD” and resid 67 and name HA))

((segid “BrD” and resid 62 and name HB2))

OR {20662}

((segid “BrD” and resid 111 and name HA))

((segid “BrD” and resid 110 and name HG11))

ASSI {20672}

((segid “BrD” and resid 23 and name HA))

((segid “BrD” and resid 26 and name HG1))

3.300
2.700
2.200 peak
20672
weight
0.10000E+01 volume
0.58311E+02 ppm1
4.656 ppm2
1.661

OR {20672}

((segid “BrD” and resid 23 and name HA))

(segid “BrD” and resid 22 and name HD1%)

OR {20672}

((segid “BrD” and resid 61 and name HA))

(segid “BrD” and resid 22 and name HD1%)

OR {20672}

((segid “BrD” and resid 61 and name HA))

((segid “BrD” and resid 62 and name HB2))

OR {20672}

((segid “BrD” and resid 23 and name HA))

(segid “BrD” and resid 25 and name HG2%)

OR {20672}

((segid “BrD” and resid 61 and name HA))

(segid “BrD” and resid 58 and name HG2%)

OR {20672}

((segid “BrD” and resid 63 and name HA))

((segid “BrD” and resid 62 and name HB2))

ASSI {20682}

((segid “BrD” and resid 67 and name HA))

(segid “BrD” and resid 69 and name HG1%)

2.700
1.800
1.800 peak
20682
weight
0.10000E+01 volume
0.18983E+03 ppm1
4.656 ppm2
1.547

OR {20682}

((segid “BrD” and resid 67 and name HA))

(segid “BrD” and resid 73 and name HD1%)

ASSI {20792}

(segid “BrD” and resid 25 and name HG2%)

(segid “BrD” and resid 74 and name HE%)

3.100
2.400
2.400 peak
20792
weight
0.10000E+01 volume
0.98567E+02 ppm1
1.648 ppm2
7.517

OR {20792}

(segid “BrD” and resid 25 and name HG2%)

(segid “BrD” and resid 106 and name HD%)

OR {20792}

(segid “BrD” and resid 58 and name HG2%)

(segid “BrD” and resid 74 and name HE%)

ASSI {20822}

(segid “BrD” and resid 25 and name HG2%)

(segid “BrD” and resid 34 and name HE%)

3.300
2.700
2.200 peak
20822
weight
0.10000E+01 volume
0.60371E+02 ppm1
1.650 ppm2
7.791

OR {20822}

(segid “BrD” and resid 58 and name HG2%)

(segid “BrD” and resid 68 and name HD%)

ASSI {20842}

(segid “BrD” and resid 25 and name HG2%)

((segid “BrD” and resid 102 and name HA))

3.600
3.200
1.900 peak
20842
weight
0.10000E+01 volume
0.35063E+02 ppm1
1.649 ppm2
4.282

OR {20842}

(segid “BrD” and resid 58 and name HG2%)

((segid “BrD” and resid 37 and name HD1))

ASSI {21092}

(segid “BrD” and resid 58 and name HG2%)

((segid “BrD” and resid 61 and name HG2))

2.600
1.700
1.700 peak
21092
weight
0.10000E+01 volume
0.23144E+03 ppm1
1.648 ppm2
2.833

OR {21092}

(segid “BrD” and resid 58 and name HG2%)

((segid “BrD” and resid 61 and name HB1))

OR {21092}

(segid “BrD” and resid 58 and name HG2%)

((segid “BrD” and resid 57 and name HB2))

ASSI {21102}

(segid “BrD” and resid 25 and name HG2%)

((segid “BrD” and resid 56 and name HB1))

2.500
1.600
1.600 peak
21102
weight
0.10000E+01 volume
0.34384E+03 ppm1
1.649 ppm2
2.700

OR {21102}

(segid “BrD” and resid 58 and name HG2%)

((segid “BrD” and resid 61 and name HB2))

OR {21102}

(segid “BrD” and resid 58 and name HG2%)

((segid “BrD” and resid 37 and name HG1))

OR {21102}

(segid “BrD” and resid 25 and name HG2%)

((segid “BrD” and resid 22 and name HB1))

ASSI {21112}

(segid “BrD” and resid 58 and name HG2%)

(segid “BrD” and resid 54 and name HE%)

2.500
1.600
1.600 peak
21112
weight
0.10000E+01 volume
0.32059E+03 ppm1
1.649 ppm2
2.508

OR {21112}

(segid “BrD” and resid 25 and name HG2%)

((segid “BrD” and resid 26 and name HB1))

ASSI {21132}

((segid “BrD” and resid 83 and name HB))

((segid “BrD” and resid 79 and name HG1))

5.000
5.000
0.500 peak
21132
weight
0.10000E+01 volume
0.54051E+01 ppm1
4.504 ppm2
3.028

OR {21132}

((segid “BrD” and resid 83 and name HB))

((segid “BrD” and resid 87 and name HG1))

ASSI {21152}

((segid “BrD” and resid 58 and name HA))

(segid “BrD” and resid 54 and name HE%)

3.500
3.100
2.000 peak
21152
weight
0.10000E+01 volume
0.43944E+02 ppm1
4.455 ppm2
2.572

OR {21152}

((segid “BrD” and resid 83 and name HA))

((segid “BrD” and resid 87 and name HB2))

ASSI {21222}

(segid “BrD” and resid 83 and name HG2%)

((segid “BrD” and resid 80 and name HG1))

3.000
2.200
2.200 peak
21222
weight
0.10000E+01 volume
0.98918E+02 ppm1
1.894 ppm2
2.366

OR {21222}

(segid “BrD” and resid 83 and name HG2%)

((segid “BrD” and resid 86 and name HB1))

ASSI {21382}

((segid “BrD” and resid 25 and name HB))

(segid “Brd” and resid 102 and name HD1%)

5.400
5.400
0.100 peak
21382
weight
0.10000E+01 volume
0.33579E+01 ppm1
2.980 ppm2
1.273

OR {21382}

((segid “BrD” and resid 25 and name HB))

(segid “BrD” and resid 56 and name HD2%)

ASSI {21412}

(segid “BrD” and resid 25 and name HG1%)

(segid “BrD” and resid 31 and name HB%)

3.300
2.700
2.200 peak
21432
weight
0.10000E+01 volume
0.60830E+02 ppm1
1.795 ppm2
2.320

OR {21412}

(segid “BrD” and resid $$ and name HG1%)

((segid “BrD” and resid 21 and name HG11))

ASSI {21442}

(segid “BrD” and resid 25 and name HG1%)

((segid “BrD” and resid 105 and name HB1))

2.600
1.700
1.700 peak
21442
weight
0.10000E+01 volume
0.23532E+03 ppm1
1.796 ppm2
3.695

OR {21442}

(segid “BrD” and resid 25 and name HG1%)

((segid “BrD” and resid 105 and name HB2))

OR {21442}

(segid “BrD” and resid 25 and name HG1%)

((segid “BrD” and resid 106 and name HB2))

ASSI {21502}

((segid “BrD” and resid 38 and name HA))

((segid “BrD” and resid 39 and name HD1))

3.600
3.200
1.900 peak
21502
weight
0.10000E+01 volume
0.37412E+02 ppm1
4.163 ppm2
2.291

OR {21502}

((segid “BrD” and resid 38 and name HA))

((segid “BrD” and resid 37 and name HB2))

ASSI {21552}

(segid “BrD” and resid 81 and name HD2%)

((segid “BrD” and resid 31 and name HA))

3.000
2.200
2.200 peak
21552
weight
0.10000E+01 volume
0.11144E+03 ppm1
0.760 ppm2
4.981

OR {21552}

(segid “BrD” and resid 81 and name HG2%)

((segid “BrD” and resid 85 and name HA))

OR {21552}

(segid “BrD” and resid 81 and name HG2%)

((segid “BrD” and resid 77 and name HA))

ASSI {21572}

(segid “BrD” and resid 81 and name HG1%)

((segid “BrD” and resid 77 and name HA))

3.200
2.600
2.300 peak
21572
weight
0.10000E+01 volume
0.78059E+02 ppm1
1.056 ppm2
4.972

OR {21572}

(segid “BrD” and resid 38 and name HG1%)

((segid “BrD” and resid 39 and name HA))

ASSI {21592}

(segid “BrD” and resid 38 and name HG1%)

((segid “BrD” and resid 53 and name HA))

3.100
2.400
2.400 peak
21592
weight
0.10000E+01 volume
0.93082E+02 ppm1
1.0562 ppm2
4.664

OR {21592}

(segid “BrD” and resid 81 and name HG1%)

((segid “BrD” and resid 80 and name HA))

OR {21592}

(segid “BrD” and resid 81 and name HG1%)

((segid “BrD” and resid 53 and name HA))

ASSI {21612}

(segid “BrD” and resid 38 and name HG1%)

((segid “BrD” and resid 37 and name HB1))

3.800
3.600
1.700 peak
21612
weight
0.10000E+01 volume
0.25206E+02 ppm1
1.056 ppm2
2.966

OR {21612}

(segid “BrD” and resid 81 and name HG1%)

((segid “BrD” and resid 55 and name HB1))

ASSI {21652}

(segid “BrD” and resid 38 and name HG1%)

(segid “BrD” and resid 47 and name HE%)

3.100
2.400
2.400 peak
21652
weight
0.10000E+01 volume
0.89355E+02 ppm1
1.056 ppm2
7.259

OR {21652}

(segid “BrD” and resid 81 and name HG1%)

(segid “BrD” and resid 82 and name HD%)

ASSI {21792}

((segid “BrD” and resid 81 and name HB))

((segid “BrD” and resid 82 and name HB2))

3.900
3.800
1.600 peak
21792
weight
0.10000E+01 volume
0.21639E+02 ppm1
2.042 ppm2
3.573

OR {21792}

((segid “BrD” and resid 81 and name HB))

((segid “BrD” and resid 84 and name HB1))

ASSI {21982}

(segid “BrD” and resid 50 and name HD1%)

((segid “BrD” and resid 49 and name HA))

3.000
2.200
2.200 peak
21982
weight
0.10000E+01 volume
0.11219E+03 ppm1
1.153 ppm2
4.692

OR {21982}

(segid “BrD” and resid 50 and name HD1%)

((segid “BrD” and resid 53 and name HA))

OR {21982}

(segid “BrD” and resid 50 and name HD1%)

((segid “BrD” and resid 47 and name HA))

ASSI {22072}

(segid “BrD” and resid 50 and name HD1%)

(segid “BrD” and resid 38 and name HG1%)

3.800
3.600
1.700 peak
22072
weight
0.10000E+01 volume
0.25153E+02 ppm1
1.154 ppm2
1.078

OR {22072}

(segid “BrD” and resid 50 and name HD1%)

(segid “BrD” and resid 81 and name HG1%)

ASSI {22432}

(segid “BrD” and resid 69 and name HG2%)

((segid “BrD” and resid 19 and name HB2))

5.500
5.500
0.000 peak
22432
weight
0.10000E+01 volume
0.5124$$E+00 ppm1
1.425 ppm2
1.993

OR {22432}

(segid “BrD” and resid 69 and name HG2%)

(segid “BrD” and resid 113 and name HB%)

ASSI {22502}

(segid “BrD” and resid 25 and name HG2%)

(segid “BrD” and resid 35 and name HE%)

2.900
2.100
2.100 peak
22502
weight
0.10000E+01 volume
0.14480E+03 ppm1
1.633 ppm2
2.752

OR {22502}

(segid “BrD” and resid 49 and name HG1%)

((segid “BrD” and resid 48 and name HB1))

OR {22502}

(segid “BrD” and resid 58 and name HG2%)

((segid “BrD” and resid 37 and name HG1))

ASSI {22622}

((segid “BrD” and resid 42 and name HA))

((segid “BrD” and resid 44 and name HD2))

4.000
4.000
1.500 peak
22622
weight
0.10000E+01 volume
0.20863E+02 ppm1
5.051 ppm2
4.133

OR {22622}

((segid “BrD” and resid 42 and name HA))

((segid “BrD” and resid 38 and name HA))

ASSI {22802}

((segid “BrD” and resid 104 and name HB1))

((segid “BrD” and resid 105 and name HB2))

3.200
2.600
2.300 peak
22802
weight
0.10000E+01 volume
0.76681E+02 ppm1
2.536 ppm2
3.662

OR {22802}

((segid “BrD” and resid 104 and name HB1))

((segid “BrD” and resid 107 and name HB1))

ASSI {22862}

((segid “BrD” and resid 64 and name HE1))

((segid “BrD” and resid 19 and name HA))

3.600
3.200
1.900 peak
22862
weight
0.10000E+01 volume
0.38596E+02 ppm1
3.573 ppm2
4.285

OR {22862}

((segid “BrD” and resid 57 and name HE1))

((segid “BrD” and resid 37 and name HD1))

ASSI {22912}

((segid “BrD” and resid 60 and name HB1))

((segid “BrD” and resid 22 and name HB2))

4.100
4.100
1.400 peak
22912
weight
0.10000E+01 volume
0.16339E+02 ppm1
5.001 ppm2
2.312

OR {22912}

((segid “BrD” and resid 60 and name HB1))

((segid “BrD” and resid 56 and name HG))

ASSI {23002}

((segid “BrD” and resid 37 and name HD1))

((segid “BrD” and resid 57 and name HB1))

3.100
2.400
2.400 peak
23002
weight
0.10000E+01 volume
0.82823E+02 ppm1
4.285 ppm2
2.966

OR {23002}

((segid “BrD” and resid 37 and name HD1))

((segid “BrD” and resid 37 and name HB1))

OR {23002}

((segid “BrD” and resid 44 and name HD1))

((segid “BrD” and resid 44 and name HB1))

ASSI {23042}

((segid “BrD” and resid 37 and name HD1))

((segid “BrD” and resid 37 and name HG2))

2.000
1.000
1.000 peak
23042
weight
0.10000E+01 volume
0.14416E+04 ppm1
4.261 ppm2
2.621

OR {23042}

((segid “BrD” and resid 8 and name HD2))

((segid “BrD” and resid 8 and name HG1))

ASSI {23052}

((segid “BrD” and resid 8 and name HD1))

((segid “BrD” and resid 8 and name HB2))

3.600
3.200
1.900 peak
23052
weight
0.10000E+01 volume
0.37937E+02 ppm1
4.409 ppm2
2.499

OR {23052}

((segid “BrD” and resid 8 and name HA1))

((segid “BrD” and resid 7 and name HB2))

ASSI {23212}

((segid “BrD” and resid 44 and name HG2))

((segid “BrD” and resid 44 and name HA))

3.100
2.400
2.400 peak
23212
weight
0.10000E+01 volume
0.93859E+02 ppm1
2.635 ppm2
5.120

OR {23212}

((segid “BrD” and resid 8 and name HG1))

((segid “BrD” and resid 7 and name HA))

ASSI {23252}

((segid “BrD” and resid 11 and name HG1))

(segid “BrD” and resid 69 and name HG2%)

3.000
2.200
2.200 peak
23252
weight
0.10000E+01 volume
0.10852E+03 ppm1
2.615 ppm2
1.417

OR {23252}

((segid “BrD” and resid 11 and name HG1))

(segid “BrD” and resid 14 and name HD2%)

ASSI {23382}

((segid “BrD” and resid 100 and name HA))

((segid “BrD” and resid 101 and name HA))

5.500
5.500
0.000 peak
23382
weight
0.10000E+01 volume
0.24494E+01 ppm1
4.952 ppm2
4.256

OR {23382}

((segid “BrD” and resid 6 and name HA))

((segid “BrD” and resid 8 and name HD2))

ASSI {23392}

((segid “BrD” and resid 100 and name HA))

((segid “BrD” and resid 99 and name HA))

3.200
2.600
2.300 peak
23392
weight
0.10000E+01 volume
0.72079E+02 ppm1
4.952 ppm2
4.444

OR {23392}

((segid “BrD” and resid 6 and name HA))

((segid “BrD” and resid 8 and name HD1))

ASSI {23512}

((segid “BrD” and resid 10 and name HA))

((segid “BrD” and resid 11 and name HA))

3.400
2.900
2.100 peak
23512
weight
0.10000E+01 volume
0.53886E+02 ppm1
5.477 ppm2
4.939

OR {23512}

((segid “BrD” and resid 10 and name HA))

((segid “BrD” and resid 9 and name HA))

ASSI {23582}

((segid “BrD” and resid 12 and name HA))

((segid “BrD” and resid 16 and name HA))

3.600
3.200
1.900 peak
23582
weight
0.10000E+01 volume
0.33831E+02 ppm1
5.297 ppm2
4.627

OR {23582}

((segid “BrD” and resid 12 and name HA))

((segid “BrD” and resid 16 and name HB1))

OR {23582}

((segid “BrD” and resid 12 and name HA))

((segid “BrD” and resid 14 and name HA))

ASSI {23682}

((segid “BrD” and resid 14 and name HA))

(segid “BrD” and resid 18 and name HD1%)

3.300
2.700
2.200 peak
23682
weight
0.10000E+01 volume
0.67221E+02 ppm1
4.656 ppm2
1.083

OR {23682}

((segid “BrD” and resid 80 and name HA))

(segid “BrD” and resid 81 and name HG1%)

ASSI {23772}

(segid “BrD” and resid 14 and name HD2%)

((segid “BrD” and resid 15 and name HA))

2.400
1.400
1.400 peak
23772
weight
0.10000E+01 volume
0.36871E+03 ppm1
1.400 ppm2
4.574

OR {23772}

((segid “BrD” and resid 109 and name HG1))

((segid “BrD” and resid 17 and name HA))

ASSI {23792}

(segid “BrD” and resid 14 and name HG2%)

((segid “BrD” and resid 18 and name HA))

3.900
3.800
1.600 peak
23792
weight
0.10000E+01 volume
0.23831E+02 ppm1
1.401 ppm2
3.889

OR {23792}

((segid “BrD” and resid 109 and name HG1))

((segid “BrD” and resid 18 and name HA))

ASSI {23872}

((segid “BrD” and resid 18 and name HA))

(segid “BrD” and resid 74 and name HE%)

2.900
2.100
2.100 peak
23872
weight
0.10000E+01 volume
0.13092E+03 ppm1
3.866 ppm2
7.534

OR {23872}

((segid “BrD” and resid 18 and name HA))

(segid “BrD” and resid 106 and name HD%)

ASSI {23892}

((segid “BrD” and resid 18 and name HA))

((segid “BrD” and resid 15 and name HA))

2.900
2.100
2.100 peak
23892
weight
0.10000E+01 volume
0.13327E+01 ppm1
3.867 ppm2
4.631

OR {23892}

((segid “BrD” and resid 18 and name HA))

((segid “BrD” and resid 20 and name HB1))

OR {23892}

((segid “BrD” and resid 18 and name HA))

((segid “BrD” and resid 14 and name HA))

ASSI {23902}

((segid “BrD” and resid 18 and name HA))

((segid “BrD” and resid 17 and name HA))

3.800
3.600
1.700 peak
23902
weight
0.10000E+01 volume
0.26018E+02 ppm1
3.867 ppm2
4.541

OR {23902}

((segid “BrD” and resid 18 and name HA))

((segid “BrD” and resid 106 and name HA))

ASSI {23912}

((segid “BrD” and resid 18 and name HB1))

(segid “BrD” and resid 14 and name HD2%)

3.400
2.900
2.100 peak
23912
weight
0.10000E+01 volume
0.53948E+02 ppm1
2.140 ppm2
1.433

OR {23912}

((segid “BrD” and resid 18 and name HB1))

(segid “Brd” and resid 69 and name HG2%)

ASSI {23942}

((segid “BrD” and resid 18 and name HB2))

(segid “BrD” and resid 14 and name HD2%)

4.100
4.100
1.400 peak
23942
weight
0.10000E+01 volume
0.16641E+02 ppm1
0.911 ppm2
1.415

OR {23942}

((segid “BrD” and resid 18 and name HB2))

(segid “BrD” and resid 69 and name HG2%)

ASSI {24102}

(segid “BrD” and resid 18 and name HD2%)

(segid “BrD” and resid 21 and name HG2%)

5.500
5.500
0.000 peak
24102
weight
0.10000E+01 volume
0.18200E+00 ppm1
0.415 ppm2
1.596

OR {24102}

(segid “BrD” and resid 18 and name HD2%)

(segid “BrD” and resid 22 and name HD2%)

ASSI {24112}

(segid “BrD” and resid 18 and name HD2%)

(segid “BrD” and resid 115 and name HD1%)

2.800
2.000
2.000 peak
24112
weight
0.10000E+01 volume
0.15952E+03 ppm1
0.416 ppm2
1.377

OR {24112}

(segid “BrD” and resid 18 and name HD2%)

(segid “BrD” and resid 14 and name HD2%)

OR {24112}

(segid “BrD” and resid 14 and name HD2%)

(segid “BrD” and resid 14 and name HD1%)

ASSI {24122}

(segid “BrD” and resid 18 and name HD2%)

(segid “BrD” and resid 115 and name HB%)

3.900
3.800
1.600 peak
24122
weight
0.10000E+01 volume
0.21517E+02 ppm1
0.415 ppm2
1.986

OR {24122}

(segid “BrD” and resid 18 and name HD2%)

((segid “BrD” and resid 19 and name HB2))

ASSI {24292}

(segid “BrD” and resid 18 and name HD2%)

((segid “BrD” and resid 106 and name HB2))

3.900
3.800
1.600 peak
24292
weight
0.10000E+01 volume
0.23222E+02 ppm1
0.416 ppm2
3.650

OR {24292}

(segid “BrD” and resid 18 and name HD2%)

((segid “BrD” and resid 68 and name HB1))

OR {24292}

(segid “BrD” and resid 18 and name HD2%)

((segid “BrD” and resid 15 and name HB2))

ASSI {24492}

(segid “BrD” and resid 63 and name HD1%)

((segid “BrD” and resid 68 and name HB1))

2.800
2.000
2.000 peak
24492
weight
0.10000E+01 volume
0.15293E+03 ppm1
1.649 ppm2
3.671

OR {24492}

(segid “BrD” and resid 63 and name HD1%)

((segid “BrD” and resid 15 and name HB2))

ASSI {24502}

(segid “BrD” and resid 63 and name HD1%)

((segid “BrD” and resid 66 and name HD2))

3.000
2.200
2.200 peak
24502
weight
0.10000E+01 volume
0.10614E+03 ppm1
1.649 ppm2
3.614

OR {24502}

(segid “BrD” and resid 63 and name HD1%)

((segid “BrD” and resid 64 and name HE1))

ASSI {24532}

(segid “BrD” and resid 63 and name HD1%)

((segid “BrD” and resid 16 and name HA))

3.500
3.100
2.000 peak
24532
weight
0.10000E+01 volume
0.45951E+02 ppm1
1.649 ppm2
4.516

OR {24532}

(segid “BrD” and resid 63 and name HD1%)

((segid “BrD” and resid 17 and name HA))

ASSI {24602}

(segid “BrD” and resid 63 and name HD2%)

((segid “BrD” and resid 19 and name HE1))

3.400
2.900
2.100 peak
24602
weight
0.10000E+01 volume
0.54742E+02 ppm1
1.500 ppm2
3.524

OR {24602}

(segid “BrD” and resid 63 and name HD2%)

((segid “BrD” and resid 68 and name HB2))

ASSI {24692}

((segid “BrD” and resid 19 and name HA))

((segid “BrD” and resid 22 and name HG))

3.000
2.200
2.200 peak
24692
weight
0.10000E+01 volume
0.10672E+03 ppm1
4.310 ppm2
2.393

OR {24692}

((segid “BrD” and resid 19 and name HA))

((segid “BrD” and resid 64 and name HD1))

ASSI {24712}

((segid “BrD” and resid 19 and name HA))

((segid “BrD” and resid 23 and name HA))

3.700
3.400
1.000 peak
24712
weight
0.10000E+01 volume
0.31255E+02 ppm1
4.310 ppm2
4.677

OR {24712}

((segid “BrD” and resid 19 and name HA))

((segid “BrD” and resid 22 and name HA))

OR {24712}

((segid “BrD” and resid 19 and name HA))

((segid “BrD” and resid 20 and name HB1))

ASSI {24722}

((segid “BrD” and resid 19 and name HB2))

((segid “BrD” and resid 15 and name HA))

3.800
3.600
1.700 peak
24722
weight
0.10000E+01 volume
0.24706E+02 ppm1
1.989 ppm2
4.876

OR {24732}

((segid “BrD” and resid 19 and name HB2))

((segid “BrD” and resid 16 and name HB1))

ASSI {24732}

((segid “BrD” and resid 19 and name HB2))

((segid “BrD” and resid 15 and name HA))

3.800
3.600
1.700 peak
24732
weight
0.10000E+01 volume
0.28161E+02 ppm1
1.989 ppm2
4.631

OR {24732}

((segid “BrD” and resid 19 and name HB2))

((segid “BrD” and resid 20 and name HB1))

ASSI {24772}

((segid “BrD” and resid 19 and name HG1))

((segid “BrD” and resid 20 and name HA))

4.200
4.200
1.300 peak
24772
weight
0.10000E+01 volume
0.15236E+02 ppm1
1.895 ppm2
4.891

OR {24772}

((segid “BrD” and resid 86 and name HG1))

((segid “BrD” and resid 87 and name HA))

OR {24772}

((segid “BrD” and resid 19 and name HG1))

((segid “BrD” and resid 64 and name HA))

ASSI {24822}

((segid “BrD” and resid 19 and name HD1))

((segid “BrD” and resid 15 and name HA))

4.100
4.100
1.400 peak
24822
weight
0.10000E+01 volume
0.16511E+02 ppm1
2.190 ppm2
4.643

OR {24822}

((segid “BrD” and resid 19 and name HD1))

((segid “BrD” and resid 20 and name HB1))

ASSI {24852}

((segid “BrD” and resid 97 and name HE1))

((segid “BrD” and resid 97 and name HA))

2.000
2.000
2.500 peak
24852
weight
0.10000E+01 volume
0.10950E+04 ppm1
3.571 ppm2
4.802

OR {24852}

((segid “BrD” and resid 57 and name HE1))

((segid “BrD” and resid 57 and name HA))

ASSI {24982}

((segid “BrD” and resid 21 and name HA))

(segid “BrD” and resid 106 and name HD%)

3.600
3.200
1.900 peak
24982
weight
0.10000E+01 volume
0.38794E+02 ppm1
4.358 ppm2
7.517

OR {24982}

((segid “BrD” and resid 33 and name HA))

(segid “BrD” and resid 95 and name HD%)

ASSI {24992}

((segid “BrD” and resid 21 and name HA))

((segid “BrD” and resid 22 and name HA))

2.000
2.000
2.500 peak
24992
weight
0.10000E+01 volume
0.12806E+04 ppm1
4.360 ppm2
4.671

OR {24992}

((segid “BrD” and resid 21 and name HA))

((segid “BrD” and resid 20 and name HB1))

ASSI {25052}

((segid “BrD” and resid 21 and name HG12))

((segid “BrD” and resid 18 and name HB1))

3.500
3.100
2.000 peak
25052
weight
0.10000E+01 volume
0.40558E+02 ppm1
1.648 ppm2
2.141

OR {25052}

((segid “BrD” and resid 21 and name HG12))

((segid “BrD” and resid 109 and name HB2))

ASSI {25112}

((segid “BrD” and resid 21 and name HG12))

((segid “BrD” and resid 109 and name HG1))

3.900
3.800
1.600 peak
25112
weight
0.10000E+01 volume
0.24225E+02 ppm1
1.648 ppm2
1.387

OR {25112}

((segid “BrD” and resid 21 and name HG12))

(segid “BrD” and resid 115 and name HD1%)

OR {25112}

((segid “BrD” and resid 21 and name HG12))

(segid “BrD” and resid 14 and name HD2%)

ASSI {25152}

(segid “BrD” and resid 21 and name HD1%)

((segid “BrD” and resid 106 and name HA))

2.600
1.700
1.700 peak
25152
weight
0.10000E+01 volume
0.24691E+03 ppm1
1.205 ppm2
4.545

OR {25152}

(segid “BrD” and resid 21 and name HD1%)

((segid “BrD” and resid 17 and name HA))

OR {25152}

(segid “BrD” and resid 21 and name HD1%)

((segid “BrD” and resid 75 and name HA))

ASSI {25162}

(segid “BrD” and resid 21 and name HD1%)

((segid “BrD” and resid 20 and name HA))

5.500
5.500
0.000 peak
25162
weight
0.10000E+01 volume
0.644$$1E+01 ppm1
1.205 ppm2
4.907

OR {25162}

(segid “BrD” and resid 21 and name HD1%)

((segid “BrD” and resid 105 and name HA))

OR {25162}

(segid “BrD” and resid 21 and name HD1%)

((segid “BrD” and resid 59 and name HA))

ASSI {25172}

(segid “BrD” and resid 21 and name HD1%)

((segid “BrD” and resid 17 and name HB))

3.100
2.400
2.400 peak
25172
weight
0.10000E+01 volume
0.95979E+02 ppm1
1.205 ppm2
4.863

OR {25172}

(segid “BrD” and resid 21 and name HD1%)

((segid “BrD” and resid 20 and name HA))

ASSI {25182}

(segid “BrD” and resid 21 and name HD1%)

(segid “BrD” and resid 74 and name HE%)

2.600
1.700
1.700 peak
25182
weight
0.10000E+01 volume
0.25847E+03 ppm1
1.204 ppm2
7.536

OR {25182}

(segid “BrD” and resid 21 and name HD1%)

(segid “BrD” and resid 106 and name HD%)

ASSI {25392}

((segid “BrD” and resid 98 and name HA))

((segid “BrD” and resid 102 and name HA))

3.400
2.900
2.100 peak
25392
weight
0.10000E+01 volume
0.50125E+02 ppm1
4.804 ppm2
4.265

OR {25392}

((segid “BrD” and resid 98 and name HA))

((segid “BrD” and resid 102 and name HA))

ASSI {25602}

(segid “BrD” and resid 21 and name HG2%)

((segid “BrD” and resid 20 and name HB1))

3.400
2.900
2.100 peak
25602
weight
0.10000E+01 volume
0.54447E+02 ppm1
1.596 ppm2
4.657

OR {25602}

(segid “BrD” and resid 21 and name HG2%)

((segid “BrD” and resid 109 and name HA))

ASSI {25622}

(segid “BrD” and resid 21 and name HG2%)

((segid “BrD” and resid 105 and name HB1))

3.400
2.900
2.100 peak
25622
weight
0.10000E+01 volume
0.55968E+02 ppm1
1.599 ppm2
3.736

OR {25622}

(segid “BrD” and resid 101 and name HG2%)

((segid “BrD” and resid 105 and name HB1))

ASSI {25632}

(segid “BrD” and resid 21 and name HG2%)

((segid “BrD” and resid 106 and name HB2))

4.400
4.400
1.100 peak
25632
weight
0.10000E+01 volume
0.10843E+02 ppm1
1.599 ppm2
3.662

OR {25632}

(segid “BrD” and resid 21 and name HG2%)

((segid “BrD” and resid 105 and name HB2))

ASSI {25672}

(segid “BrD” and resid 101 and name HD1%)

((segid “BrD” and resid 97 and name HB1))

3.100
2.400
2.400 peak
25672
weight
0.10000E+01 volume
0.84040E+02 ppm1
1.550 ppm2
2.702

OR {25672}

(segid “BrD” and resid 101 and name HD1%)

((segid “BrD” and resid 29 and name HB1))

ASSI {25692}

(segid “BrD” and resid 101 and name HD1%)

((segid “BrD” and resid 97 and name HG2))

3.400
3.600
1.700 peak
25692
weight
0.10000E+01 volume
0.27614E+02 ppm1
1.550 ppm2
2.167

OR {25692}

(segid “BrD” and resid 101 and name HD1%)

(segid “BrD” and resid 99 and name HB%)

OR {25692}

(segid “BrD” and resid 101 and name HD1%)

((segid “BrD” and resid 33 and name HD2))

ASSI {25702}

(segid “BrD” and resid 21 and name HG2%)

(segid “BrD” and resid 75 and name HE%)

4.300
4.300
1.200 peak
25702
weight
0.10000E+01 volume
0.11881E+02 ppm1
1.599 ppm2
2.654

OR {25702}

(segid “BrD” and resid 21 and name HG2%)

((segid “BrD” and resid 22 and name HB1))

OR {25702}

(segid “BrD” and resid 101 and name HG2%)

((segid “BrD” and resid 97 and name HB1))

ASSI {25732}

(segid “BrD” and resid 101 and name HG2%)

((segid “BrD” and resid 102 and name HB1))

2.600
1.700
1.700 peak
25732
weight
0.10000E+01 volume
0.25581E+03 ppm1
1.599 ppm2
2.011

OR {25732}

(segid “BrD” and resid 21 and name HG2%)

((segid “BrD” and resid 109 and name HD1))

ASSI {25772}

(segid “BrD” and resid 21 and name HG2%)

(segid “BrD” and resid 18 and name HD1%)

3.200
2.600
2.300 peak
25772
weight
0.10000E+01 volume
0.75349E+02 ppm1
1.599 ppm2
1.059

OR {25772}

(segid “BrD” and resid 21 and name HG2%)

((segid “BrD” and resid 78 and name HB2))

OR {25772}

(segid “BrD” and resid 21 and name HG2%)

(segid “BrD” and resid 81 and name HG1%)

ASSI {25832}

((segid “BrD” and resid 110 and name HB))

((segid “BrD” and resid 108 and name HA))

3.800
3.600
1.700 peak
25832
weight
0.10000E+01 volume
0.26102E+02 ppm1
2.338 ppm2
4.823

OR {25832}

((segid “BrD” and resid 110 and name HB))

((segid “BrD” and resid 115 and name HA))

ASSI {25862}

(segid “BrD” and resid 110 and name HG2%)

((segid “BrD” and resid 114 and name HA2))

3.100
2.400
2.400 peak
25862
weight
0.10000E+01 volume
0.90131E+02 ppm1
1.254 ppm2
4.509

OR {25862}

(segid “BrD” and resid 110 and name HG2%)

((segid “BrD” and resid 75 and name HA))

ASSI {25872}

(segid “BrD” and resid 110 and name HD1%)

((segid “BrD” and resid 14 and name HA))

2.800
2.000
2.000 peak
25872
weight
0.10000E+01 volume
0.15266E+03 ppm1
1.154 ppm2
4.655

OR {25872}

(segid “BrD” and resid 110 and name HD1%)

((segid “BrD” and resid 71 and name HA))

OR {25872}

(segid “BrD” and resid 110 and name HD1%)

((segid “BrD” and resid 111 and name HA))

OR {25872}

(segid “BrD” and resid 110 and name HD1%)

((segid “BrD” and resid 109 and name HA))

ASSI {25882}

(segid “BrD” and resid 110 and name HG2%)

((segid “BrD” and resid 115 and name HA))

2.800
2.000
2.000 peak
25882
weight
0.10000E+01 volume
0.15787E+03 ppm1
1.253 ppm2
4.824

OR {25882}

(segid “BrD” and resid 110 and name HG2%)

((segid “BrD” and resid 116 and name HA))

ASSI {25892}

(segid “BrD” and resid 110 and name HD1%)

((segid “BrD” and resid 17 and name HB))

3.100
2.400
2.400 peak
25892
weight
0.10000E+01 volume
0.95882E+02 ppm1
1.154 ppm2
4.424

OR {25892}

(segid “BrD” and resid 110 and name HD1%)

((segid “BrD” and resid 115 and name HA))

ASSI {25902}

(segid “BrD” and resid 110 and name HD1%)

((segid “BrD” and resid 106 and name HA))

3.000
2.200
2.200 peak
25902
weight
0.10000E+01 volume
0.11502E+03 ppm1
1.154 ppm2
4.568

OR {25902}

(segid “BrD” and resid 110 and name HD1%)

((segid “BrD” and resid 17 and name HA))

OR {25902}

(segid “BrD” and resid 110 and name HD1%)

((segid “BrD” and resid 114 and name HA1))

ASSI {26022}

(segid “BrD” and resid 110 and name HD1%)

((segid “BrD” and resid 106 and name HB2))

3.200
2.600
2.300 peak
26022
weight
0.10000E+01 volume
0.70430E+02 ppm1
1.154 ppm2
3.670

OR {26022}

(segid “BrD” and resid 110 and name HD1%)

((segid “BrD” and resid 107 and name HB1))

ASSI {26042}

(segid “BrD” and resid 110 and name HG2%)

((segid “BrD” and resid 107 and name HB1))

3.600
3.200
1.900 peak
26042
weight
0.10000E+01 volume
0.38059E+02 ppm1
1.251 ppm2
3.671

OR {26042}

(segid “BrD” and resid 110 and name HG2%)

((segid “BrD” and resid 106 and name HB2))

ASSI {26202}

(segid “BrD” and resid 116 and name HG2%)

((segid “BrD” and resid 76 and name HA))

2.600
1.700
1.700 peak
26202
weight
0.10000E+01 volume
0.28885E+03 ppm1
1.401 ppm2
4.655

OR {26202}

(segid “BrD” and resid 116 and name HG2%)

((segid “BrD” and resid 72 and name HA))

ASSI {26312}

(segid “BrD” and resid 116 and name HD1%)

((segid “BrD” and resid 76 and name HA))

3.800
3.600
1.700 peak
26312
weight
0.10000E+01 volume
0.26059E+02 ppm1
1.401 ppm2
4.655

OR {26312}

(segid “BrD” and resid 116 and name HD1%)

((segid “BrD” and resid 118 and name HA))

OR {26312}

(segid “BrD” and resid 116 and name HD1%)

((segid “BrD” and resid 111 and name HA))

OR {26312}

(segid “BrD” and resid 116 and name HD1%)

((segid “BrD” and resid 71 and name HA))

OR {26312}

(segid “BrD” and resid 116 and name HD1%)

((segid “BrD” and resid 72 and name HA))

ASSI {26352}

(segid “BrD” and resid 116 and name HG2%)

((segid “BrD” and resid 79 and name HA))

3.600
3.200
1.900 peak
26352
weight
0.10000E+01 volume
0.36722E+02 ppm1
1.400 ppm2
4.428

OR {26352}

(segid “BrD” and resid 116 and name HG2%)

((segid “BrD” and resid 107 and name HA))

ASSI {26362}

(segid “BrD” and resid 116 and name HD1%)

((segid “BrD” and resid 107 and name HB1))

3.800
3.600
1.700 peak
26362
weight
0.10000E+01 volume
0.28562E+02 ppm1
1.401 ppm2
3.662

OR {26362}

(segid “BrD” and resid 116 and name HD1%)

((segid “BrD” and resid 106 and name HB2))

ASSI {26512}

((segid “BrD” and resid 116 and name HB))

((segid “BrD” and resid 76 and name HA))

3.300
2.700
2.200 peak
26532
weight
0.10000E+01 volume
0.66907E+02 ppm1
2.410 ppm2
4.655

OR {26512}

((segid “BrD” and resid 116 and name HB))

((segid “BrD” and resid 118 and name HA))

OR {26512}

((segid “BrD” and resid 116 and name HB))

((segid “BrD” and resid 72 and name HA))

ASSI {27012}

((segid “BrD” and resid 89 and name HA))

((segid “BrD” and resid 88 and name HA))

3.600
3.200
1.900 peak
27012
weight
0.10000E+01 volume
0.33743E+02 ppm1
5.642 ppm2
5.005

OR {27012}

((segid “BrD” and resid 89 and name HA))

((segid “BrD” and resid 93 and name HB1))

ASSI {27292}

((segid “BrD” and resid 80 and name HG1))

((segid “BrD” and resid 52 and name HB1))

3.300
2.700
2.200 peak
27292
weight
0.10000E+01 volume
0.61197E+02 ppm1
3.141 ppm2
1.649

OR {27292}

((segid “BrD” and resid 73 and name HG))

((segid “BrD” and resid 68 and name HB1))

ASSI {27302}

((segid “BrD” and resid 80 and name HG1))

((segid “BrD” and resid 77 and name HB1))

4.600
4.600
0.900 peak
27302
weight
0.10000E+01 volume
0.87654E+01 ppm1
2.341 ppm2
3.311

OR {27302}

((segid “BrD” and resid 73 and name HG))

((segid “BrD” and resid 77 and name HB1))

OR {27302}

((segid “BrD” and resid 73 and name HG))

((segid “BrD” and resid 54 and name HG1))

OR {27302}

((segid “BrD” and resid 56 and name HG))

((segid “BrD” and resid 54 and name HG1))

OR {27302}

((segid “BrD” and resid 56 and name HG))

((segid “BrD” and resid 77 and name HB1))

ASSI {27332}

((segid “BrD” and resid 56 and name HG))

(segid “BrD” and resid 81 and name HG2%)

3.600
3.200
1.900 peak
27332
weight
0.10000E+01 volume
0.35670E+02 ppm1
2.338 ppm2
0.758

OR {27332}

((segid “BrD” and resid 22 and name HG))

(segid “BrD” and resid 78 and name HD1%)

ASSI {27462}

(segid “BrD” and resid 22 and name HD1%)

((segid “BrD” and resid 25 and name HB))

3.800
3.600
1.700 peak
27462
weight
0.10000E+01 volume
0.26281E+02 ppm1
1.648 ppm2
2.995

OR {27462}

(segid “BrD” and resid 22 and name HD1%)

((segid “BrD” and resid 61 and name HG1))

OR {27462}

(segid “BrD” and resid 22 and name HD1%)

((segid “BrD” and resid 74 and name HB2))

ASSI {27482}

(segid “BrD” and resid 22 and name HD2%)

((segid “BrD” and resid 26 and name HA))

3.200
2.600
2.300 peak
27482
weight
0.10000E+01 volume
0.77977E+02 ppm1
1.599 ppm2
4.492

OR {27482}

(segid “BrD” and resid 22 and name HD2%)

((segid “BrD” and resid 58 and name HA))

ASSI {27502}

(segid “BrD” and resid 22 and name HD2%)

((segid “BrD” and resid 59 and name HA))

3.200
2.600
2.300 peak
27502
weight
0.10000E+01 volume
0.74913E+02 ppm1
1.599 ppm2
4.901

OR {27502}

(segid “BrD” and resid 22 and name HD2%)

((segid “BrD” and resid 35 and name HA))

OR {27502}

(segid “BrD” and resid 22 and name HD2%)

((segid “BrD” and resid 20 and name HA))

ASSI {27542}

(segid “BrD” and resid 22 and name HD2%)

((segid “BrD” and resid 56 and name HB2))

4.000
4.000
1.500 peak
27542
weight
0.10000E+01 volume
0.19846E+02 ppm1
1.599 ppm2
2.011

OR {27542}

(segid “BrD” and resid 22 and name HD2%)

((segid “BrD” and resid 81 and name HB))

ASSI {27562}

(segid “BrD” and resid 22 and name HD1%)

((segid “BrD” and resid 64 and name HA))

3.300
2.700
2.200 peak
27562
weight
0.10000E+01 volume
0.62753E+02 ppm1
1.645 ppm2
4.911

OR {27562}

(segid “BrD” and resid 22 and name HD1%)

((segid “BrD” and resid 59 and name HA))

ASSI {27592}

((segid “BrD” and resid 110 and name HG12))

(segid “BrD” and resid 115 and name HD1%)

3.300
2.700
2.200 peak
27592
weight
0.10000E+01 volume
0.61111E+02 ppm1
1.646 ppm2
1.321

OR {27592}

((segid “BrD” and resid 110 and name HG12))

((segid “BrD” and resid 78 and name HB1))

OR {27592}

(segid “BrD” and resid 22 and name HD1%)

(segid “BrD” and resid 102 and name HD2%)

OR {27592}

((segid “BrD” and resid 110 and name HG12))

(segid “BrD” and resid 102 and name HD2%)

ASSI {27622}

(segid “BrD” and resid 73 and name HD2%)

((segid “BrD” and resid 74 and name HA))

3.000
2.200
2.200 peak
27622
weight
0.10000E+01 volume
0.10007E+03 ppm1
1.500 ppm2
4.362

OR {27622}

(segid “BrD” and resid 73 and name HD2%)

((segid “BrD” and resid 70 and name HB2))

ASSI {27832}

((segid “BrD” and resid 78 and name HA))

((segid “BrD” and resid 82 and name HZ))

3.500
3.100
3.000 peak
27832
weight
0.10000E+01 volume
0.44344E+02 ppm1
3.966 ppm2
7.023

OR {27832}

((segid “BrD” and resid 78 and name HA))

(segid “BrD” and resid 74 and name HD%)

ASSI {27852}

((segid “BrD” and resid 78 and name HB2))

((segid “BrD” and resid 116 and name HG12))

4.700
4.700
0.800 peak
27852
weight
0.10000E+01 volume
0.74365E+01 ppm1
1.056 ppm2
1.832

OR {27652}

((segid “BrD” and resid 78 and name HB2))

(segid “BrD” and resid 56 and name HD1%)

ASSI {27862}

((segid “BrD” and resid 78 and name HB2))

((segid “BrD” and resid 110 and name HG12))

3.700
3.400
1.800 peak
27862
weight
0.10000E+01 volume
0.33112E+02 ppm1
1.054 ppm2
1.629

OR {27862}

((segid “BrD” and resid 78 and name HB2))

(segid “BrD” and resid 21 and name HG2%)

OR {27862}

((segid “BrD” and resid 78 and name HB2))

(segid “BrD” and resid 22 and name HD2%)

OR {27862}

((segid “BrD” and resid 78 and name HB2))

((segid “BrD” and resid 21 and name HG12))

ASSI {27962}

(segid “BrD” and resid 78 and name HD1%)

(segid “BrD” and resid 74 and name HD%)

2.200
2.200
2.300 peak
27962
weight
0.10000E+01 volume
0.40433E+03 ppm1
0.761 ppm2
7.031

OR {27962}

(segid “BrD” and resid 78 and name HD1%)

(segid “BrD” and resid 82 and name HE%)

ASSI {28022}

(segid “BrD” and resid 78 and name HD2%)

((segid “BrD” and resid 22 and name HA))

3.100
2.400
2.400 peak
28022
weight
0.10000E+01 volume
0.92248E+02 ppm1
0.862 ppm2
4.727

OR {28022}

(segid “BrD” and resid 78 and name HD2%)

((segid “BrD” and resid 82 and name HA))

ASSI {28042}

(segid “BrD” and resid 78 and name HD2%)

((segid “BrD” and resid 56 and name HA))

3.600
3.200
1.900 peak
28042
weight
0.10000E+01 volume
0.33947E+02 ppm1
0.662 ppm2
4.631

OR {28042}

(segid “BrD” and resid 78 and name HD2%)

((segid “BrD” and resid 76 and name HA))

OR {28042}

(segid “BrD” and resid 78 and name HD2%)

((segid “BrD” and resid 80 and name HA))

OR {28042}

(segid “BrD” and resid 74 and name HD2%)

((segid “BrD” and resid 104 and name HA))

OR {28042}

(segid “BrD” and resid 78 and name HD2%)

((segid “BrD” and resid 20 and name HB1))

OR {28042}

(segid “BrD” and resid 78 and name HD2%)

((segid “BrD” and resid 109 and name HA))

OR {28042}

(segid “BrD” and resid 78 and name HD2%)

((segid “BrD” and resid 14 and name HA))

OR {28042}

(segid “BrD” and resid 78 and name HD2%)

((segid “BrD” and resid 71 and name HA))

OR {28042}

(segid “BrD” and resid 78 and name HD2%)

((segid “BrD” and resid 15 and name HA))

ASSI {28052}

(segid “BrD” and resid 78 and name HD1%)

((segid “BrD” and resid 56 and name HA))

3.800
3.600
1.700 peak
28052
weight
0.10000E+01 volume
0.28600E+02 ppm1
0.761 ppm2
4.631

OR {28052}

(segid “BrD” and resid 78 and name HD1%)

((segid “BrD” and resid 76 and name HA))

OR {28052}

(segid “BrD” and resid 78 and name HD1%)

((segid “BrD” and resid 80 and name HA))

OR {28052}

(segid “BrD” and resid 78 and name HD1%)

((segid “BrD” and resid 60 and name HB2))

ASSI {28072}

(segid “BrD” and resid 78 and name HD1%)

((segid “BrD” and resid 79 and name HA))

3.400
2.900
2.100 peak
28072
weight
0.10000E+01 volume
0.48389E+02 ppm1
0.762 ppm2
4.428

OR {28072}

(segid “BrD” and resid 78 and name HD1%)

((segid “BrD” and resid 25 and name HA))

OR {28072}

(segid “BrD” and resid 78 and name HD1%)

((segid “BrD” and resid 107 and name HA))

OR {28072}

(segid “BrD” and resid 78 and name HD1%)

((segid “BrD” and resid 99 and name HA))

ASSI {28082}

(segid “BrD” and resid 78 and name HD2%)

((segid “BrD” and resid 106 and name HA))

3.000
2.200
2.200 peak
28082
weight
0.10000E+01 volume
0.10774E+03 ppm1
0.662 ppm2
4.525

OR {28082}

(segid “BrD” and resid 78 and name HD2%)

((segid “BrD” and resid 75 and name HA))

ASSI {28092}

(segid “BrD” and resid 78 and name HD2%)

((segid “BrD” and resid 79 and name HA))

2.900
2.100
2.100 peak
28092
weight
0.10000E+01 volume
0.12398E+03 ppm1
0.662 ppm2
4.427

OR {28092}

(segid “BrD” and resid 78 and name HD2%)

((segid “BrD” and resid 107 and name HA))

ASSI {28112}

(segid “BrD” and resid 78 and name HD1%)

((segid “BrD” and resid 106 and name HB2))

3.200
2.600
2.300 peak
28112
weight
0.10000E+01 volume
0.76864E+02 ppm1
0.760 ppm2
3.711

OR {28112}

(segid “BrD” and resid 78 and name HD1%)

((segid “BrD” and resid 81 and name HA))

ASSI {28142}

(segid “BrD” and resid 78 and name HD2%)

((segid “BrD” and resid 25 and name HB))

3.900
3.800
1.600 peak
28142
weight
0.10000E+01 volume
0.22598E+02 ppm1
0.662 ppm2
3.005

OR {28142}

(segid “BrD” and resid 78 and name HD2%)

((segid “BrD” and resid 79 and name HG1))

OR {28142}

(segid “BrD” and resid 78 and name HD2%)

((segid “BrD” and resid 74 and name HB2))

ASSI {28152}

(segid “BrD” and resid 78 and name HD2%)

((segid “BrD” and resid 21 and name HG11))

3.600
3.200
1.900 peak
28152
weight
0.10000E+01 volume
0.38156E+02 ppm1
0.662 ppm2
2.347

OR {28152}

(segid “BrD” and resid 78 and name HD2%)

((segid “BrD” and resid 56 and name HG))

OR {28152}

(segid “BrD” and resid 78 and name HD2%)

((segid “BrD” and resid 22 and name HG))

ASSI {28162}

(segid “BrD” and resid 78 and name HD2%)

(segid “BrD” and resid 75 and name HE%)

4.300
4.300
1.200 peak
28162
weight
0.10000E+01 volume
0.12997E+02 ppm1
0.662 ppm2
2.670

OR {28162}

(segid “BrD” and resid 78 and name HD2%)

((segid “BrD” and resid 79 and name HB2))

OR {24162}

(segid “BrD” and resid 78 and name HD2%)

((segid “BrD” and resid 22 and name HB1))

ASSI {28172}

(segid “BrD” and resid 78 and name HD1%)

((segid “BrD” and resid 74 and name HB2))

3.800
3.600
1.700 peak
28172
weight
0.10000E+01 volume
0.27394E+02 ppm1
0.760 ppm2
3.003

OR {28172}

(segid “BrD” and resid 78 and name HD1%)

((segid “BrD” and resid 25 and name HB))

ASSI {28302}

(segid “BrD” and resid 56 and name HD2%)

((segid “BrD” and resid 35 and name HA))

2.600
1.700
1.700 peak
28302
weight
0.10000E+01 volume
0.27298E+03 ppm1
1.254 ppm2
4.907

OR {28302}

(segid “BrD” and resid 56 and name HD2%)

((segid “BrD” and resid 59 and name HA))

ASSI {28332}

(segid “BrD” and resid 56 and name HD2%)

((segid “BrD” and resid 25 and name HA))

5.000
5.000
0.500 peak
28332
weight
0.10000E+01 volume
0.51532E+02 ppm1
1.253 ppm2
4.441

OR {28332}

(segid “BrD” and resid 56 and name HD2%)

((segid “BrD” and resid 58 and name HA))

ASSI {28482}

((segid “BrD” and resid 56 and name HB2))

(segid “BrD” and resid 81 and name HG2%)

3.700
3.400
1.800 peak
28482
weight
0.10000E+01 volume
0.33282E+02 ppm1
1.993 ppm2
0.766

OR {28482}

((segid “BrD” and resid 102 and name HB1))

(segid “BrD” and resid 81 and name HG2%)

ASSI {28552}

((segid “BrD” and resid 102 and name HG))

((segid “BrD” and resid 25 and name HA))

4.000
4.000
1.500 peak
28552
weight
0.10000E+01 volume
0.18876E+02 ppm1
2.141 ppm2
4.445

OR {28552}

((segid “BrD” and resid 102 and name HG))

((segid “BrD” and resid 99 and name HA))

OR {28552}

((segid “BrD” and resid 97 and name HG2))

((segid “BrD” and resid 96 and name HA))

ASSI {28592}

(segid “BrD” and resid 102 and name HD2%)

((segid “BrD” and resid 34 and name HZ))

3.700
3.400
1.800 peak
28592
weight
0.10000E+01 volume
0.30371E+02 ppm1
1.303 ppm2
7.899

OR {28592}

(segid “BrD” and resid 102 and name HD2%)

(segid “BrD” and resid 107 and name HE%)

ASSI {28602}

(segid “BrD” and resid 102 and name HD2%)

(segid “BrD” and resid 34 and name HE%)

2.000
2.000
2.500 peak
28602
weight
0.10000E+01 volume
0.10851E+04 ppm1
1.303 ppm2
7.771

OR {28602}

(segid “BrD” and resid 102 and name HD2%)

(segid “BrD” and resid 105 and name HD%)

ASSI {28682}

(segid “BrD” and resid 102 and name HD1%)

((segid “BrD” and resid 28 and name HA))

4.000
4.000
1.500 peak
28682
weight
0.10000E+01 volume
0.20825E+02 ppm1
1.303 ppm2
4.583

OR {28682}

(segid “BrD” and resid 102 and name HD1%)

((segid “BrD” and resid 106 and name HA))

ASSI {28692}

(segid “BrD” and resid 102 and name HD1%)

((segid “BrD” and resid 30 and name HB2))

2.700
1.800
1.800 peak
28692
weight
0.10000E+01 volume
0.20830E+03 ppm1
1.303 ppm2
4.536

OR {28692}

(segid “BrD” and resid 102 and name HD1%)

((segid “BrD” and resid 28 and name HA))

ASSI {28772}

(segid “BrD” and resid 102 and name HD2%)

(segid “BrD” and resid 78 and name HD1%)

3.500
3.100
2.000 peak
28772
weight
0.10000E+01 volume
0.44195E+02 ppm1
1.304 ppm2
0.760

OR {28772}

(segid “BrD” and resid 102 and name HD2%)

(segid “BrD” and resid 81 and name HG2%)

ASSI {28862}

((segid “BrD” and resid 115 and name HB1))

((segid “BrD” and resid 110 and name HG11))

3.300
2.700
2.200 peak
28862
weight
0.10000E+01 volume
0.61541E+02 ppm1
2.290 ppm2
1.742

OR {28862}

((segid “BrD” and resid 115 and name HB1))

(segid “BrD” and resid 17 and name HG2%)

ASSI {28952}

(segid “BrD” and resid 56 and name HD1%)

((segid “BrD” and resid 31 and name HA))

3.300
2.400
2.400 peak
28952
weight
0.10000E+01 volume
0.92579E+02 ppm1
1.548 ppm2
4.984

OR {28952}

(segid “BrD” and resid 56 and name HD1%)

((segid “BrD” and resid 60 and name HB1))

ASSI {29002}

(segid “BrD” and resid 59 and name HE%)

(segid “BrD” and resid 76 and name HB%)

3.500
3.200
2.000 peak
29002
weight
0.10000E+01 volume
0.43704E+02 ppm1
1.848 ppm2
2.108

OR {29002}

(segid “BrD” and resid 59 and name HE%)

((segid “BrD” and resid 18 and name HB1))

OR {29002}

(segid “BrD” and resid 59 and name HE%)

((segid “BrD” and resid 102 and name HG))

ASSI {29022}

(segid “BrD” and resid 59 and name HE%)

((segid “BrD” and resid 22 and name HB2))

3.400
2.900
2.100 peak
29022
weight
0.10000E+01 volume
0.52140E+02 ppm1
1.848 ppm2
2.292

OR {29022}

(segid “BrD” and resid 59 and name HE%)

((segid “BrD” and resid 22 and name HG))

OR {29022}

(segid “BrD” and resid 59 and name HB%)

(segid “BrD” and resid 31 and name HB%)

ASSI {29032}

(segid “BrD” and resid 59 and name HE%)

((segid “BrD” and resid 56 and name HG))

3.700
3.400
1.800 peak
29032
weight
0.10000E+01 volume
0.29631E+02 ppm1
1.848 ppm2
2.361

OR {29032}

(segid “BrD” and resid 59 and name HE%)

((segid “BrD” and resid 22 and name HG))

OR {29032}

(segid “BrD” and resid 59 and name HE%)

((segid “BrD” and resid 73 and name HG))

OR {29032}

(segid “BrD” and resid 59 and name HE%)

((segid “BrD” and resid 21 and name HG11))

ASSI {29072}

(segid “BrD” and resid 59 and name HE%)

((segid “BrD” and resid 22 and name HA))

4.200
4.200
1.300 peak
29072
weight
0.10000E+01 volume
0.14615E+02 ppm1
1.848 ppm2
4.719

OR {29072}

(segid “BrD” and resid 59 and name HE%)

((segid “BrD” and resid 58 and name HB))

OR {29072}

(segid “BrD” and resid 59 and name HE%)

((segid “BrD” and resid 69 and name HA))

OR {29072}

(segid “BrD” and resid 59 and name HE%)

((segid “BrD” and resid 53 and name HA))

ASSI {29152}

(segid “BrD” and resid 59 and name HE%)

(segid “BrD” and resid 73 and name HD2%)

3.600
3.200
1.900 peak
29152
weight
0.10000E+01 volume
0.18252E+02 ppm1
1.848 ppm2
1.462

OR {29152}

(segid “BrD” and resid 59 and name HE%)

(segid “BrD” and resid 63 and name HD2%)

OR {29152}

(segid “BrD” and resid 59 and name HE%)

((segid “BrD” and resid 62 and name HG2))

ASSI {29192}

(segid “BrD” and resid 54 and name HE%)

((segid “BrD” and resid 60 and name HB1))

3.200
2.600
2.300 peak
29192
weight
0.10000E+01 volume
0.76364E+02 ppm1
2.536 ppm2
4.964

OR {29192}

(segid “BrD” and resid 54 and name HE%)

((segid “BrD” and resid 77 and name HA))

ASSI {29202}

(segid “BrD” and resid 54 and name HE%)

((segid “BrD” and resid 55 and name HB1))

3.700
3.400
1.800 peak
29202
weight
0.10000E+01 volume
0.30281E+02 ppm1
2.535 ppm2
2.955

OR {29202}

(segid “BrD” and resid 54 and name HE%)

((segid “BrD” and resid 37 and name HB1))

ASSI {29252}

(segid “BrD” and resid 54 and name HE%)

(segid “BrD” and resid 35 and name HE%)

2.500
2.500
2.000 peak
29252
weight
0.10000E+01 volume
0.29954E+03 ppm1
2.535 ppm2
2.801

OR {29252}

(segid “BrD” and resid 54 and name HE%)

((segid “BrD” and resid 53 and name HB1))

OR {29252}

(segid “BrD” and resid 54 and name HE%)

((segid “BrD” and resid 61 and name HG2))

OR {29252}

(segid “BrD” and resid 54 and name HE%)

((segid “BrD” and resid 36 and name HG1))

ASSI {29262}

(segid “BrD” and resid 54 and name HE%)

((segid “BrD” and resid 37 and name HG1))

2.600
1.700
1.700 peak
29262
weight
0.10000E+01 volume
0.23100E+03 ppm1
2.535 ppm2
2.722

OR {29262}

(segid “BrD” and resid 54 and name HE%)

((segid “BrD” and resid 59 and name HB1))

ASSI {29582}

((segid “BrD” and resid 79 and name HA))

((segid “BrD” and resid 116 and name HG11))

4.100
4.100
1.400 peak
29582
weight
0.10000E+01 volume
0.16991E+02 ppm1
4.409 ppm2
1.897

OR {29582}

((segid “BrD” and resid 79 and name HA))

((segid “BrD” and resid 103 and name HB2))

ASSI {29682}

((segid “BrD” and resid 108 and name HA))

((segid “BrD” and resid 111 and name HG1))

4.100
4.100
1.400 peak
29682
weight
0.10000E+01 volume
0.16470E+02 ppm1
4.804 ppm2
2.003

OR {29682}

((segid “BrD” and resid 104 and name HA))

((segid “BrD” and resid 109 and name HD1))

ASSI {29702}

((segid “BrD” and resid 15 and name HA))

((segid “BrD” and resid 19 and name HB2))

2.800
2.000
2.000 peak
29702
weight
0.10000E+01 volume
0.16051E+03 ppm1
4.607 ppm2
1.986

OR {29702}

((segid “BrD” and resid 104 and name HB1))

((segid “BrD” and resid 109 and name HD1))

OR {29702}

((segid “BrD” and resid 60 and name HB2))

((segid “BrD” and resid 56 and name HB2))

ASSI {29712}

((segid “BrD” and resid 15 and name HA))

((segid “BrD” and resid 18 and name HB1))

3.100
2.400
2.400 peak
29712
weight
0.10000E+01 volume
0.92305E+02 ppm1
4.607 ppm2
2.182

OR {29712}

((segid “BrD” and resid 60 and name HB2))

((segid “BrD” and resid 64 and name HG1))

ASSI {29722}

((segid “BrD” and resid 15 and name HA))

(segid “BrD” and resid 14 and name HD2%)

3.900
3.800
1.600 peak
29722
weight
0.10000E+01 volume
0.22638E+02 ppm1
4.607 ppm2
1.417

OR {29722}

((segid “BrD” and resid 15 and name HA))

(segid “BrD” and resid 69 and name HG2%)

ASSI {29732}

((segid “BrD” and resid 30 and name HA))

((segid “BrD” and resid 98 and name HA))

2.600
1.700
1.700 peak
29732
weight
0.10000E+01 volume
0.26724E+03 ppm1
5.445 ppm2
4.810

OR {29732}

((segid “BrD” and resid 30 and name HA))

((segid “BrD” and resid 29 and name HA))

ASSI {30592}

((segid “BrD” and resid 109 and name HB1))

(segid “BrD” and resid 21 and name HD1%)

3.700
3.400
1.800 peak
30592
weight
0.10000E+01 volume
0.31262E+02 ppm1
2.334 ppm2
1.222

OR {30592}

((segid “BrD” and resid 109 and name HB1))

(segid “BrD” and resid 110 and name HG2%)

ASSI {30672}

((segid “BrD” and resid 109 and name HB2))

((segid “BrD” and resid 110 and name HA))

3.600
3.200
1.900 peak
30672
weight
0.10000E+01 volume
0.39278E+02 ppm1
2.141 ppm2
4.378

OR {30672}

((segid “BrD” and resid 109 and name HB2))

((segid “BrD” and resid 107 and name HA))

ASSI {30952}

(segid “BrD” and resid 75 and name HA))

((segid “BrD” and resid 78 and name HG))

3.800
3.600
1.700 peak
30952
weight
0.10000E+01 volume
0.28077E+02 ppm1
4.509 ppm2
1.260

OR {30952}

((segid “BrD” and resid 26 and name HA))

(segid “BrD” and resid 56 and name HD2%)

ASSI {83}

(segid “BrD” and resid 46 and name HD%)

((segid “BrD” and resid 47 and name HA))

2.300
2.300
2.200 peak
83
weight
0.10000E+01 volume
0.20163E+03 ppm1
5.756 ppm2
4.693

OR {83}

(segid “BrD” and resid 46 and name HD%)

((segid “BrD” and resid 53 and name HA))

ASSI {533}

(segid “BrD” and resid 47 and name HE%)

((segid “BrD” and resid 38 and name HB))

3.200
2.600
2.300 peak
533
weight
0.10000E+01 volume
0.34245E+02 ppm1
7.246 ppm2
1.776

OR {533}

(segid “BrD” and resid 47 and name HE%)

((segid “BrD” and resid 50 and name HB))

ASSI {643}

(segid “BrD” and resid 74 and name HD%)

((segid “BrD” and resid 71 and name HA))

3.100
2.400
2.400 peak
643
weight
0.10000E+01 volume
0.35398E+02 ppm1
7.012 ppm2
4.622

OR {643}

(segid “BrD” and resid 74 and name HD%)

((segid “BrD” and resid 15 and name HA))

OR {643}

(segid “BrD” and resid 74 and name HD%)

((segid “BrD” and resid 76 and name HA))

OR {643}

(segid “BrD” and resid 74 and name HD%)

((segid “BrD” and resid 56 and name HA))

OR {643}

(segid “BrD” and resid 74 and name HD%)

((segid “BrD” and resid 72 and name HA))

OR {643}

(segid “BrD” and resid 74 and name HD%)

((segid “BrD” and resid 14 and name HA))

ASSI {1143}

(segid “BrD” and resid 105 and name HD%)

(segid “BrD” and resid 101 and name HG2%)

3.100
2.400
2.400 peak
1143
weight
0.10000E+01 volume
0.36890E+02 ppm1
7.758 ppm2
1.631

OR {1143}

(segid “BrD” and resid 105 and name HD%)

(segid “BrD” and resid 21 and name HG2%)

ASSI {1393}

(segid “BrD” and resid 96 and name HD%)

((segid “BrD” and resid 86 and name HA))

2.200
2.200
2.300 peak
1393
weight
0.10000E+01 volume
0.26898E+03 ppm1
7.711 ppm2
4.810

OR {1393}

(segid “BrD” and resid 96 and name HD%)

((segid “BrD” and resid 92 and name HA))

ASSI {1763}

(segid “BrD” and resid 106 and name HE%)

((segid “BrD” and resid 107 and name HA))

3.400
2.900
2.100 peak
1763
weight
0.10000E+01 volume
0.21871E+02 ppm1
7.617 ppm2
4.431

OR {1763}

(segid “BrD” and resid 106 and name HE%)

((segid “BrD” and resid 79 and name HA))

OR {1763}

(segid “BrD” and resid 106 and name HE%)

((segid “BrD” and resid 110 and name HA))

ASSI {1783}

(segid “BrD” and resid 106 and name HE%)

(segid “BrD” and resid 74 and name HD%)

3.700
3.400
1.800 peak
1783
weight
0.10000E+01 volume
0.23872E+02 ppm1
7.617 ppm2
7.027

OR {1783}

(segid “BrD” and resid 106 and name HE%)

(segid “BrD” and resid 82 and name HE%)

OR {1783}

(segid “BrD” and resid 106 and name HE%)

((segid “BrD” and resid 82 and name HZ))

ASSI {1813}

(segid “BrD” and resid 95 and name HD%)

((segid “BrD” and resid 94 and name HA))

3.300
2.700
2.200 peak
1813
weight
0.10000E+01 volume
0.28141E+02 ppm1
1.478 ppm2
4.810

OR {1813}

(segid “BrD” and resid 95 and name HD%)

((segid “BrD” and resid 86 and name HA))

ASSI {1893}

(segid “BrD” and resid 96 and name HE%)

((segid “BrD” and resid 96 and name HA))

3.600
3.200
1.900 peak
1893
weight
0.10000E+01 volume
0.14793E+02 ppm1
7.618 ppm2
4.387

OR {1893}

(segid “BrD” and resid 95 and name HE%)

((segid “BrD” and resid 33 and name HA))

ASSI {2063}

((segid “BrD” and resid 32 and name HZ3))

((segid “BrD” and resid 32 and name HA))

5.500
5.500
0.000 peak
2063
weight
0.10000E+01 volume
0.11153E+03 ppm1
7.804 ppm2
4.971

OR {2063}

((segid “BrD” and resid 32 and name HZ3))

((segid “BrD” and resid 93 and name HB1))

OR {2063}

((segid “BrD” and resid 32 and name HZ3))

((segid “BrD” and resid 85 and name HA))

ASSI {24}

(segid “BrD” and resid 46 and name HE%)

((segid “BrD” and resid 50 and name HB))

3.600
3.200
1.900 peak
24
weight
0.10000E+01 volume
0.55296E+02 ppm1
6.687 ppm2
1.777

OR {24}

(segid “BrD” and resid 46 and name HE%)

((segid “BrD” and resid 38 and name HB))

ASSI {94}

(segid “BrD” and resid 82 and name HD%)

((segid “BrD” and resid 79 and name HA))

2.200
1.200
1.200 peak
94
weight
0.10000E+01 volume
0.10359E+04 ppm1
7.266 ppm2
4.424

OR {94}

(segid “BrD” and resid 82 and name HD%)

((segid “BrD” and resid 99 and name HA))

ASSI {104}

(segid “BrD” and resid 47 and name HE%)

((segid “BrD” and resid 53 and name HG2))

2.500
1.600
1.600 peak
104
weight
0.10000E+01 volume
0.51584E+03 ppm1
7.270 ppm2
2.504

OR {104}

(segid “BrD” and resid 82 and name HD%)

((segid “BrD” and resid 103 and name HG2))

ASSI {124}

(segid “BrD” and resid 47 and name HD%)

((segid “BrD” and resid 50 and name HG12))

3.600
3.200
1.900 peak
124
weight
0.10000E+01 volume
0.55730E+02 ppm1
7.970 ppm2
0.780

OR {124}

(segid “BrD” and resid 47 and name HD%)

(segid “BrD” and resid 38 and name HG2%)

ASSI {134}

(segid “BrD” and resid 47 and name HD%)

((segid “BrD” and resid $$3 and name HD2))

2.900
2.100
2.100 peak
134
weight
0.10000E+01 volume
0.18431E+03 ppm1
7.970 ppm2
4.007

OR {134}

((segid “BrD” and resid 32 and name HZ2)

((segid “BrD” and resid 98 and name HB1))

ASSI {554}

((segid “BrD” and resid 28 and name HE1))

((segid “BrD” and resid 30 and name HB2))

2.900
2.100
2.100 peak
554
weight
0.10000E+01 volume
0.21924E+03 ppm1
8.158 ppm2
4.538

OR {554}

((segid “BrD” and resid 28 and name HE1))

((segid “BrD” and resid 28 and name HA))

ASSI {574}

(segid “BrD” and resid 68 and name HE%)

((segid “BrD” and resid 59 and name HA))

3.200
2.600
2.300 peak
574
weight
0.10000E+01 volume
0.10500E+03 ppm1
7.921 ppm2
4.930

OR {574}

((segid “BrD” and resid 32 and name HE3))

((segid “BrD” and resid 32 and name HA))

ASSI {604}

((segid “BrD” and resid 107 and name HZ))

((segid “BrD” and resid 83 and name HB))

3.500
3.100
2.000 peak
604
weight
0.10000E+01 volume
0.65660E+02 ppm1
8.063 ppm2
4.784

OR {604}

((segid “BrD” and resid 107 and name HZ))

((segid “BrD” and resid 82 and name HA))

ASSI {614}

((segid “BrD” and resid 107 and name HZ))

((segid “BrD” and resid 80 and name HA))

3.300
2.700
2.200 peak
614
weight
0.10000E+01 volume
0.96219E+02 ppm1
8.062 ppm2
4.673

OR {614}

((segid “BrD” and resid 107 and name HZ))

((segid “BrD” and resid 118 and name HA))

OR {614}

((segid “BrD” and resid 107 and name HZ))

((segid “BrD” and resid 76 and name HA))

ASSI {704}

((segid “BrD” and resid 107 and name HZ))

((segid “BrD” and resid 79 and name HB1))

2.800
2.000
2.000 peak
704
weight
0.10000E+01 volume
0.25291E+03 ppm1
8.009 ppm2
2.755

OR {704}

((segid “BrD” and resid 32 and name HZ2))

((segid “BrD” and resid 94 and name HB1))

ASSI {794}

((segid “BrD” and resid 32 and name HE3))

((segid “BrD” and resid 32 and name HB2))

2.600
1.700
1.700 peak
794
weight
0.10000E+01 volume
0.39954E+03 ppm1
7.960 ppm2
4.212

OR {794}

(segid “BrD” and resid 47 and name HD%)

((segid “BrD” and resid 53 and name HD1))

ASSI {964}

((segid “BrD” and resid 34 and name HZ))

((segid “BrD” and resid 28 and name HD2))

4.200
4.200
1.300 peak
964
weight
0.10000E+01 volume
0.22395E+02 ppm1
7.928 ppm2
5.579

OR {964}

((segid “BrD” and resid 34 and name HZ))

((segid “BrD” and resid 34 and name HA))

ASSI {974}

((segid “BrD” and resid 34 and name HZ))

((segid “BrD” and resid 98 and name HA))

3.800
3.600
1.700 peak
974
weight
0.10000E+01 volume
0.41681E+02 ppm1
7.929 ppm2
4.791

OR {974}

((segid “BrD” and resid 34 and name HZ))

((segid “BrD” and resid 82 and name HA))

ASSI {1044}

(segid “BrD” and resid 107 and name HE%)

((segid “BrD” and resid 79 and name HA))

2.300
1.300
1.300 peak
1044
weight
0.10000E+01 volume
0.86364E+03 ppm1
7.921 ppm2
4.440

OR {1044}

((segid “BrD” and resid 34 and name HZ))

((segid “BrD” and resid 99 and name HA))

ASSI {1074}

((segid “BrD” and resid 34 and name HZ))

(segid “BrD” and resid 102 and name HD1%)

2.900
2.100
2.100 peak
1074
weight
0.10000E+01 volume
0.20962E+03 ppm1
7.924 ppm2
1.333

OR {1074}

(segid “BrD” and resid 107 and name HE%)

((segid “BrD” and resid 78 and name HB1))

ASSI {1084}

((segid “BrD” and resid 34 and name HZ))

((segid “BrD” and resid 98 and name HA))

4.000
4.000
1.500 peak
1084
weight
0.10000E+01 volume
0.28521E+02 ppm1
7.913 ppm2
4.791

OR {1084}

((segid “BrD” and resid 34 and name HZ))

((segid “BrD” and resid 82 and name HA))

OR {1084}

(segid “BrD” and resid 68 and name HE%)

((segid “BrD” and resid 73 and name HA))

ASSI {1094}

(segid “BrD” and resid 107 and name HE%)

((segid “BrD” and resid 118 and name HA))

3.200
2.600
2.300 peak
1094
weight
0.10000E+01 volume
0.10760E+03 ppm1
7.918 ppm2
4.683

OR {1094}

(segid “BrD” and resid 107 and name HE%)

((segid “BrD” and resid 76 and name HA))

OR {1094}

(segid “BrD” and resid 68 and name HE%)

((segid “BrD” and resid 58 and name HB))

OR {1094}

(segid “BrD” and resid 68 and name HE%)

((segid “BrD” and resid 67 and name HA))

OR {1094}

(segid “BrD” and resid 107 and name HE%)

((segid “BrD” and resid 104 and name HA))

OR {1094}

(segid “BrD” and resid 107 and name HE%)

((segid “BrD” and resid 80 and name HA))

OR {1094}

(segid “BrD” and resid 68 and name HE%)

((segid “BrD” and resid 69 and name HA))

ASSI {1104}

((segid “BrD” and resid 34 and name HZ))

(segid “BrD” and resid 99 and name HB%)

2.400
1.400
1.400 peak
1104
weight
0.10000E+01 volume
0.63603E+03 ppm1
7.907 ppm2
2.212

OR {1104}

((segid “BrD” and resid 34 and name HZ))

((segid “BrD” and resid 33 and name HD2))

ASSI {1114}

(segid “BrD” and resid 68 and name HE%)

(segid “BrD” and resid 68 and name HD%)

2.100
1.100
1.100 peak
1114
weight
0.10000E+01 volume
0.15243E+04 ppm1
7.904 ppm2
7.776

OR {1114}

(segid “BrD” and resid 107 and name HE%)

(segid “BrD” and resid 107 and name HD%)

OR {1114}

((segid “BrD” and resid 34 and name HZ))

(segid “BrD” and resid 34 and name HE%)

ASSI {1124}

((segid “BrD” and resid 34 and name HZ))

((segid “BrD” and resid 98 and name HB2))

2.500
1.600
1.600 peak
1124
weight
0.10000E+01 volume
0.54441E+03 ppm1
7.898 ppm2
3.659

OR {1124}

(segid “BrD” and resid 107 and name HE%)

((segid “BrD” and resid 82 and name HB1))

OR {1124}

(segid “BrD” and resid 68 and name HE%)

((segid “BrD” and resid 68 and name HB1))

ASSI {1134}

(segid “BrD” and resid 68 and name HE%)

((segid “BrD” and resid 62 and name HG1))

3.600
3.200
1.900 peak
1134
weight
0.10000E+01 volume
0.60159E+02 ppm1
7.900 ppm2
2.343

OR {1134}

(segid “BrD” and resid 68 and name HE%)

((segid “BrD” and resid 73 and name HG))

ASSI {1164}

(segid “BrD” and resid 68 and name HE%)

((segid “BrD” and resid 62 and name HG1))

3.200
2.600
2.300 peak
1164
weight
0.10000E+01 volume
0.12306E+03 ppm1
7.896 ppm2
2.374

OR {1164}

(segid “BrD” and resid 68 and name HE%)

((segid “BrD” and resid 73 and name HG))

OR {1164}

(segid “BrD” and resid 107 and name HE%)

((segid “BrD” and resid 116 and name HB))

ASSI {1204}

(segid “BrD” and resid 68 and name HE%)

((segid “BrD” and resid 68 and name HB2))

2.500
1.600
1.600 peak
1204
weight
0.10000E+01 volume
0.47618E+03 ppm1
7.892 ppm2
3.546

OR {1204}

(segid “BrD” and resid 68 and name HE%)

((segid “BrD” and resid 67 and name HB1))

OR {1204}

(segid “BrD” and resid 107 and name HE%)

((segid “BrD” and resid 82 and name HB2))

OR {1204}

((segid “BrD” and resid 34 and name HZ))

((segid “BrD” and resid 82 and name HB2))

ASSI {1244}

(segid “BrD” and resid 107 and name HE%)

((segid “BrD” and resid 79 and name HB2))

2.500
1.600
1.600 peak
1244
weight
0.10000E+01 volume
0.54491E+03 ppm1
7.891 ppm2
2.644

OR {1244}

(segid “BrD” and resid 68 and name HE%)

((segid “BrD” and resid 62 and name HD2))

ASSI {1254}

(segid “BrD” and resid 107 and name HE%)

((segid “BrD” and resid 116 and name HG11)

2.700
1.800
1.800 peak
1254
weight
0.10000E+01 volume
0.30083E+03 ppm1
7.891 ppm2
1.886

OR {1254}

(segid “BrD” and resid 68 and name HE%)

(segid “BrD” and resid 59 and name HE%)

OR {1254}

(segid “BrD” and resid 107 and name HE%)

((segid “BrD” and resid 103 and name HB2))

ASSI {1274}

((segid “BrD” and resid 34 and name HZ))

((segid “BrD” and resid 98 and name HA))

3.400
2.900
2.100 peak
1274
weight
0.10000E+01 volume
0.84175E+02 ppm1
7.888 ppm2
4.815

OR {1274}

(segid “BrD” and resid 68 and name HE%)

((segid “BrD” and resid 73 and name HA))

ASSI {1284}

(segid “BrD” and resid 107 and name HE%)

((segid “BrD” and resid 103 and name HG2))

2.500
1.600
1.600 peak
1284
weight
0.10000E+01 volume
0.45504E+03 ppm1
7.869 ppm2
2.554

OR {1284}

(segid “BrD” and resid 68 and name HE%)

((segid “BrD” and resid 54 and name HB1))

ASSI {1294}

(segid “BrD” and resid 107 and name HE%)

((segid “BrD” and resid 116 and name HB))

3.300
2.700
2.200 peak
1294
weight
0.10000E+01 volume
0.10144E+03 ppm1
7.888 ppm2
2.422

OR {1294}

((segid “BrD” and resid 34 and name HZ))

((segid “BrD” and resid 101 and name HG11))

ASSI {1304}

(segid “BrD” and resid 68 and name HE%)

(segid “BrD” and resid 58 and name HG2%)

2.600
1.700
1.700 peak
1304
weight
0.10000E+01 volume
0.38056E+03 ppm1
7.888 ppm2
1.656

OR {1304}

(segid “BrD” and resid 107 and name HE%)

((segid “BrD” and resid 110 and name HG12))

ASSI {1444}

(segid “BrD” and resid 107 and name HD%)

((segid “BrD” and resid 104 and name HA))

2.900
2.100
2.100 peak
1444
weight
0.10000E+01 volume
0.19434E+03 ppm1
7.811 ppm2
4.684

OR {1444}

(segid “BrD” and resid 105 and name HD%)

((segid “BrD” and resid 104 and name HA))

OR {1444}

(segid “BrD” and resid 107 and name HD%)

((segid “BrD” and resid 118 and name HA))

OR {1444}

(segid “BrD” and resid 105 and name HD%)

((segid “BrD” and resid 109 and name HA))

ASSI {1504}

(segid “BrD” and resid 105 and name HD%)

((segid “BrD” and resid 105 and name HA))

2.400
1.400
1.400 peak
1504
weight
0.10000E+01 volume
0.65395E+03 ppm1
7.798 ppm2
4.926

OR {1504}

(segid “BrD” and resid 68 and name HD%)

((segid “BrD” and resid 59 and name HA))

ASSI {1514}

(segid “BrD” and resid 107 and name HD%)

((segid “BrD” and resid 106 and name HA))

2.800
2.000
2.000 peak
1514
weight
0.10000E+01 volume
0.27794E+03 ppm1
7.798 ppm2
4.572

OR {1514}

(segid “BrD” and resid 105 and name HD%)

((segid “BrD” and resid 106 and name HA))

OR {1514}

(segid “BrD” and resid 105 and name HD%)

((segid “BrD” and resid 108 and name HB1))

ASSI {1534}

(segid “BrD” and resid 105 and name HD%)

((segid “BrD” and resid 105 and name HB2))

2.200
1.200
1.200 peak
1534
weight
0.10000E+01 volume
0.11824E+04 ppm1
7.799 ppm2
3.674

OR {1534}

(segid “BrD” and resid 107 and name HD%)

((segid “BrD” and resid 107 and name HB1))

ASSI {1534}

(segid “BrD” and resid 68 and name HD%)

((segid “BrD” and resid 68 and name HB1))

ASSI {1554}

(segid “BrD” and resid 34 and name HE%)

((segid “BrD” and resid 102 and name HB2))

2.500
2.500
2.000 peak
1554
weight
0.10000E+01 volume
0.46212E+03 ppm1
7.799 ppm2
1.819

OR {1554}

(segid “BrD” and resid 68 and name HD%)

(segid “BrD” and resid 59 and name HE%)

ASSI {1574}

(segid “BrD” and resid 105 and name HD%)

((segid “BrD” and resid 102 and name HA))

2.800
2.000
2.000 peak
1574
weight
0.10000E+01 volume
0.27340E+03 ppm1
7.797 ppm2
4.278

OR {1574}

(segid “BrD” and resid 105 and name HD%)

((segid “BrD” and resid 101 and name HA))

OR {1574}

(segid “BrD” and resid 34 and name HE%)

((segid “BrD” and resid 102 and name HA))

ASSI {1614}

(segid “BrD” and resid 68 and name HD%)

((segid “BrD” and resid 74 and name HB2))

2.900
2.100
2.100 peak
1614
weight
0.10000E+01 volume
0.20510E+03 ppm1
7.790 ppm2
3.010

OR {1614}

(segid “BrD” and resid 105 and name HD%)

((segid “BrD” and resid 109 and name HE2))

ASSI {1624}

(segid “BrD” and resid 34 and name HE%)

((segid “BrD” and resid 33 and name HD1))

2.800
2.000
2.000 peak
1624
weight
0.10000E+01 volume
0.23703E+03 ppm1
7.786 ppm2
2.796

OR {1624}

((segid “BrD” and resid 32 and name HZ3))

((segid “BrD” and resid 33 and name HD1))

OR {1624}

(segid “BrD” and resid 107 and name HD%)

((segid “BrD” and resid 79 and name HB1))

OR {1624}

((segid “BrD” and resid 32 and name HH2))

(segid “BrD” and resid 31 and name HB%)

ASSI {29032}

(segid “BrD” and resid 59 and name HE%)

((segid “BrD” and resid 56 and name HG))

3.700
3.400
1.800 peak
29032
weight
0.10000E+01 volume
0.29631E+02 ppm1
1.848 ppm2
2.361

OR {29032}

(segid “BrD” and resid 59 and name HE%)

((segid “BrD” and resid 22 and name HG))

OR {29032}

(segid “BrD” and resid 59 and name HE%)

((segid “BrD” and resid 73 and name HG))

OR {29032}

(segid “BrD” and resid 59 and name HE%)

((segid “BrD” and resid 21 and name HG11))

ASSI {29072}

(segid “BrD” and resid 59 and name HE%)

((segid “BrD” and resid 22 and name HA))

4.200
4.200
1.300 peak
29072
weight
0.10000E+01 volume
0.14615E+02 ppm1
1.848 ppm2
4.719

OR {29072}

(segid “BrD” and resid 59 and name HE%)

((segid “BrD” and resid 58 and name HB))

OR {29072}

(segid “BrD” and resid 59 and name HE%)

((segid “BrD” and resid 69 and name HA))

OR {29072}

(segid “BrD” and resid 59 and name HE%)

((segid “BrD” and resid 53 and name HA))

ASSI {29152}

(segid “BrD” and resid 59 and name HE%)

(segid “BrD” and resid 73 and name HD2%)

3.600
3.200
1.900 peak
29152
weight
0.10000E+01 volume
0.18252E+02 ppm1
1.848 ppm2
1.462

OR {29152}

(segid “BrD” and resid 59 and name HE%)

(segid “BrD” and resid 63 and name HD2%)

OR {29152}

(segid “BrD” and resid 59 and name HE%)

((segid “BrD” and resid 62 and name HG2))

ASSI {29192}

(segid “BrD” and resid 54 and name HE%)

((segid “BrD” and resid 60 and name HB1))

3.200
2.600
2.300 peak
29192
weight
0.10000E+01 volume
0.76364E+02 ppm1
2.536 ppm2
4.964

OR {29192}

(segid “BrD” and resid 54 and name HE%)

((segid “BrD” and resid 77 and name HA))

ASSI {29202}

(segid “BrD” and resid 54 and name HE%)

((segid “BrD” and resid 55 and name HB1))

3.700
3.400
1.800 peak
29202
weight
0.10000E+01 volume
0.30281E+02 ppm1
2.535 ppm2
2.955

OR {29202}

(segid “BrD” and resid 54 and name HE%)

((segid “BrD” and resid 37 and name HB1))

ASSI {29252}

(segid “BrD” and resid 54 and name HE%)

(segid “BrD” and resid 35 and name HE%)

2.500
2.500
2.000 peak
29252
weight
0.10000E+01 volume
0.29954E+03 ppm1
2.535 ppm2
2.801

OR {29252}

(segid “BrD” and resid 54 and name HE%)

((segid “BrD” and resid 53 and name HB1))

OR {29252}

(segid “BrD” and resid 54 and name HE%)

((segid “BrD” and resid 61 and name HG2))

OR {29252}

(segid “BrD” and resid 54 and name HE%)

((segid “BrD” and resid 36 and name HG1))

ASSI {29262}

(segid “BrD” and resid 54 and name HE%)

((segid “BrD” and resid 37 and name HG1))

2.600
1.700
1.700 peak
29262
weight
0.10000E+01 volume
0.23100E+03 ppm1
2.535 ppm2
2.722

OR {29262}

(segid “BrD” and resid 54 and name HE%)

((segid “BrD” and resid 59 and name HB1))

ASSI {29582}

((segid “BrD” and resid 79 and name HA))

((segid “BrD” and resid 116 and name HG11))

4.100
4.100
1.400 peak
29582
weight
0.10000E+01 volume
0.16991E+02 ppm1
4.409 ppm2
1.897

OR {29582}

((segid “BrD” and resid 79 and name HA))

((segid “BrD” and resid 103 and name HB2))

ASSI {29682}

((segid “BrD” and resid 108 and name HA))

((segid “BrD” and resid 111 and name HG1))

4.100
4.100
1.400 peak
29682
weight
0.10000E+01 volume
0.16470E+02 ppm1
4.804 ppm2
2.003

OR {29682}

((segid “BrD” and resid 104 and name HA))

((segid “BrD” and resid 109 and name HD1))

ASSI {29702}

((segid “BrD” and resid 15 and name HA))

((segid “BrD” and resid 19 and name HB2))

2.800
2.000
2.000 peak
29702
weight
0.10000E+01 volume
0.16051E+03 ppm1
4.607 ppm2
1.986

OR {29702}

((segid “BrD” and resid 104 and name HB1))

((segid “BrD” and resid 109 and name HD1))

OR {29702}

((segid “BrD” and resid 60 and name HB2))

((segid “BrD” and resid 56 and name HB2))

ASSI {29712}

((segid “BrD” and resid 15 and name HA))

((segid “BrD” and resid 18 and name HB1))

3.100
2.400
2.400 peak
29712
weight
0.10000E+01 volume
0.92305E+02 ppm1
4.607 ppm2
2.182

OR {29712}

((segid “BrD” and resid 60 and name HB2))

((segid “BrD” and resid 64 and name HG1))

ASSI {29722}

((segid “BrD” and resid 15 and name HA))

(segid “BrD” and resid 14 and name HD2%)

3.900
3.800
1.600 peak
29722
weight
0.10000E+01 volume
0.22638E+02 ppm1
4.607 ppm2
1.417

OR {29722}

((segid “BrD” and resid 15 and name HA))

(segid “BrD” and resid 69 and name HG2%)

ASSI {29732}

((segid “BrD” and resid 30 and name HA))

((segid “BrD” and resid 98 and name HA))

2.600
1.700
1.700 peak
29732
weight
0.10000E+01 volume
0.26724E+03 ppm1
5.445 ppm2
4.810

OR {29732}

((segid “BrD” and resid 30 and name HA))

((segid “BrD” and resid 29 and name HA))

ASSI {30592}

((segid “BrD” and resid 109 and name HB1))

(segid “BrD” and resid 21 and name HD1%)

3.700
3.400
1.800 peak
30592
weight
0.10000E+01 volume
0.31262E+02 ppm1
2.334 ppm2
1.222

OR {30592}

((segid “BrD” and resid 109 and name HB1))

(segid “BrD” and resid 110 and name HG2%)

ASSI {30672}

((segid “BrD” and resid 109 and name HB2))

((segid “BrD” and resid 110 and name HA))

3.600
3.200
1.900 peak
30672
weight
0.10000E+01 volume
0.39278E+02 ppm1
2.141 ppm2
4.378

OR {30672}

((segid “BrD” and resid 109 and name HB2))

((segid “BrD” and resid 107 and name HA))

ASSI {30952}

(segid “BrD” and resid 75 and name HA))

((segid “BrD” and resid 78 and name HG))

3.800
3.600
1.700 peak
30952
weight
0.10000E+01 volume
0.28077E+02 ppm1
4.509 ppm2
1.260

OR {30952}

((segid “BrD” and resid 26 and name HA))

(segid “BrD” and resid 56 and name HD2%)

ASSI {83}

(segid “BrD” and resid 46 and name HD%)

((segid “BrD” and resid 47 and name HA))

2.300
2.300
2.200 peak
83
weight
0.10000E+01 volume
0.20163E+03 ppm1
5.756 ppm2
4.693

OR {83}

(segid “BrD” and resid 46 and name HD%)

((segid “BrD” and resid 53 and name HA))

ASSI {533}

(segid “BrD” and resid 47 and name HE%)

((segid “BrD” and resid 38 and name HB))

3.200
2.600
2.300 peak
533
weight
0.10000E+01 volume
0.34245E+02 ppm1
7.246 ppm2
1.776

OR {533}

(segid “BrD” and resid 47 and name HE%)

((segid “BrD” and resid 50 and name HB))

ASSI {643}

(segid “BrD” and resid 74 and name HD%)

((segid “BrD” and resid 71 and name HA))

3.100
2.400
2.400 peak
643
weight
0.10000E+01 volume
0.35398E+02 ppm1
7.012 ppm2
4.622

OR {643}

(segid “BrD” and resid 74 and name HD%)

((segid “BrD” and resid 15 and name HA))

OR {643}

(segid “BrD” and resid 74 and name HD%)

((segid “BrD” and resid 76 and name HA))

OR {643}

(segid “BrD” and resid 74 and name HD%)

((segid “BrD” and resid 56 and name HA))

OR {643}

(segid “BrD” and resid 74 and name HD%)

((segid “BrD” and resid 72 and name HA))

OR {643}

(segid “BrD” and resid 74 and name HD%)

((segid “BrD” and resid 14 and name HA))

ASSI {1143}

(segid “BrD” and resid 105 and name HD%)

(segid “BrD” and resid 101 and name HG2%)

3.100
2.400
2.400 peak
1143
weight
0.10000E+01 volume
0.36890E+02 ppm1
7.758 ppm2
1.631

OR {1143}

(segid “BrD” and resid 105 and name HD%)

(segid “BrD” and resid 21 and name HG2%)

ASSI {1393}

(segid “BrD” and resid 96 and name HD%)

((segid “BrD” and resid 86 and name HA))

2.200
2.200
2.300 peak
1393
weight
0.10000E+01 volume
0.26898E+03 ppm1
7.711 ppm2
4.810

OR {1393}

(segid “BrD” and resid 96 and name HD%)

((segid “BrD” and resid 92 and name HA))

ASSI {1763}

(segid “BrD” and resid 106 and name HE%)

((segid “BrD” and resid 107 and name HA))

3.400
2.900
2.100 peak
1763
weight
0.10000E+01 volume
0.21871E+02 ppm1
7.617 ppm2
4.431

OR {1763}

(segid “BrD” and resid 106 and name HE%)

((segid “BrD” and resid 79 and name HA))

OR {1763}

(segid “BrD” and resid 106 and name HE%)

((segid “BrD” and resid 110 and name HA))

ASSI {1783}

(segid “BrD” and resid 106 and name HE%)

(segid “BrD” and resid 74 and name HD%)

3.700
3.400
1.800 peak
1783
weight
0.10000E+01 volume
0.23872E+02 ppm1
7.617 ppm2
7.027

OR {1783}

(segid “BrD” and resid 106 and name HE%)

(segid “BrD” and resid 82 and name HE%)

OR {1783}

(segid “BrD” and resid 106 and name HE%)

((segid “BrD” and resid 82 and name HZ))

ASSI {1813}

(segid “BrD” and resid 95 and name HD%)

((segid “BrD” and resid 94 and name HA))

3.300
2.700
2.200 peak
1813
weight
0.10000E+01 volume
0.28141E+02 ppm1
1.478 ppm2
4.810

OR {1813}

(segid “BrD” and resid 95 and name HD%)

((segid “BrD” and resid 86 and name HA))

ASSI {1893}

(segid “BrD” and resid 96 and name HE%)

((segid “BrD” and resid 96 and name HA))

3.600
3.200
1.900 peak
1893
weight
0.10000E+01 volume
0.14793E+02 ppm1
7.618 ppm2
4.387

OR {1893}

(segid “BrD” and resid 95 and name HE%)

((segid “BrD” and resid 33 and name HA))

ASSI {2063}

((segid “BrD” and resid 32 and name HZ3))

((segid “BrD” and resid 32 and name HA))

5.500
5.500
0.000 peak
2063
weight
0.10000E+01 volume
0.11153E+03 ppm1
7.804 ppm2
4.971

OR {2063}

((segid “BrD” and resid 32 and name HZ3))

((segid “BrD” and resid 93 and name HB1))

OR {2063}

((segid “BrD” and resid 32 and name HZ3))

((segid “BrD” and resid 85 and name HA))

ASSI {24}

(segid “BrD” and resid 46 and name HE%)

((segid “BrD” and resid 50 and name HB))

3.600
3.200
1.900 peak
24
weight
0.10000E+01 volume
0.55296E+02 ppm1
6.687 ppm2
1.777

OR {24}

(segid “BrD” and resid 46 and name HE%)

((segid “BrD” and resid 38 and name HB))

ASSI {94}

(segid “BrD” and resid 82 and name HD%)

((segid “BrD” and resid 79 and name HA))

2.200
1.200
1.200 peak
94
weight
0.10000E+01 volume
0.10359E+04 ppm1
7.266 ppm2
4.424

OR {94}

(segid “BrD” and resid 82 and name HD%)

((segid “BrD” and resid 99 and name HA))

ASSI {104}

(segid “BrD” and resid 47 and name HE%)

((segid “BrD” and resid 53 and name HG2))

2.500
1.600
1.600 peak
104
weight
0.10000E+01 volume
0.51584E+03 ppm1
7.270 ppm2
2.504

OR {104}

(segid “BrD” and resid 82 and name HD%)

((segid “BrD” and resid 103 and name HG2))

ASSI {124}

(segid “BrD” and resid 47 and name HD%)

((segid “BrD” and resid 50 and name HG12))

3.600
3.200
1.900 peak
124
weight
0.10000E+01 volume
0.55730E+02 ppm1
7.970 ppm2
0.780

OR {124}

(segid “BrD” and resid 47 and name HD%)

(segid “BrD” and resid 38 and name HG2%)

ASSI {134}

(segid “BrD” and resid 47 and name HD%)

((segid “BrD” and resid $$3 and name HD2))

2.900
2.100
2.100 peak
134
weight
0.10000E+01 volume
0.18431E+03 ppm1
7.970 ppm2
4.007

OR {134}

((segid “BrD” and resid 32 and name HZ2)

((segid “BrD” and resid 98 and name HB1))

ASSI {554}

((segid “BrD” and resid 28 and name HE1))

((segid “BrD” and resid 30 and name HB2))

2.900
2.100
2.100 peak
554
weight
0.10000E+01 volume
0.21924E+03 ppm1
8.158 ppm2
4.538

OR {554}

((segid “BrD” and resid 28 and name HE1))

((segid “BrD” and resid 28 and name HA))

ASSI {574}

(segid “BrD” and resid 68 and name HE%)

((segid “BrD” and resid 59 and name HA))

3.200
2.600
2.300 peak
574
weight
0.10000E+01 volume
0.10500E+03 ppm1
7.921 ppm2
4.930

OR {574}

((segid “BrD” and resid 32 and name HE3))

((segid “BrD” and resid 32 and name HA))

ASSI {604}

((segid “BrD” and resid 107 and name HZ))

((segid “BrD” and resid 83 and name HB))

3.500
3.100
2.000 peak
604
weight
0.10000E+01 volume
0.65660E+02 ppm1
8.063 ppm2
4.784

OR {604}

((segid “BrD” and resid 107 and name HZ))

((segid “BrD” and resid 82 and name HA))

ASSI {614}

((segid “BrD” and resid 107 and name HZ))

((segid “BrD” and resid 80 and name HA))

3.300
2.700
2.200 peak
614
weight
0.10000E+01 volume
0.96219E+02 ppm1
8.062 ppm2
4.673

OR {614}

((segid “BrD” and resid 107 and name HZ))

((segid “BrD” and resid 118 and name HA))

OR {614}

((segid “BrD” and resid 107 and name HZ))

((segid “BrD” and resid 76 and name HA))

ASSI {704}

((segid “BrD” and resid 107 and name HZ))

((segid “BrD” and resid 79 and name HB1))

2.800
2.000
2.000 peak
704
weight
0.10000E+01 volume
0.25291E+03 ppm1
8.009 ppm2
2.755

OR {704}

((segid “BrD” and resid 32 and name HZ2))

((segid “BrD” and resid 94 and name HB1))

ASSI {794}

((segid “BrD” and resid 32 and name HE3))

((segid “BrD” and resid 32 and name HB2))

2.600
1.700
1.700 peak
794
weight
0.10000E+01 volume
0.39954E+03 ppm1
7.960 ppm2
4.212

OR {794}

(segid “BrD” and resid 47 and name HD%)

((segid “BrD” and resid 53 and name HD1))

ASSI {964}

((segid “BrD” and resid 34 and name HZ))

((segid “BrD” and resid 28 and name HD2))

4.200
4.200
1.300 peak
964
weight
0.10000E+01 volume
0.22395E+02 ppm1
7.928 ppm2
5.579

OR {964}

((segid “BrD” and resid 34 and name HZ))

((segid “BrD” and resid 34 and name HA))

ASSI {974}

((segid “BrD” and resid 34 and name HZ))

((segid “BrD” and resid 98 and name HA))

3.800
3.600
1.700 peak
974
weight
0.10000E+01 volume
0.41681E+02 ppm1
7.929 ppm2
4.791

OR {974}

((segid “BrD” and resid 34 and name HZ))

((segid “BrD” and resid 82 and name HA))

ASSI {1044}

(segid “BrD” and resid 107 and name HE%)

((segid “BrD” and resid 79 and name HA))

2.300
1.300
1.300 peak
1044
weight
0.10000E+01 volume
0.86364E+03 ppm1
7.921 ppm2
4.440

OR {1044}

((segid “BrD” and resid 34 and name HZ))

((segid “BrD” and resid 99 and name HA))

ASSI {1074}

((segid “BrD” and resid 34 and name HZ))

(segid “BrD” and resid 102 and name HD1%)

2.900
2.100
2.100 peak
1074
weight
0.10000E+01 volume
0.20962E+03 ppm1
7.924 ppm2
1.333

OR {1074}

(segid “BrD” and resid 107 and name HE%)

((segid “BrD” and resid 78 and name HB1))

ASSI {1084}

((segid “BrD” and resid 34 and name HZ))

((segid “BrD” and resid 98 and name HA))

4.000
4.000
1.500 peak
1084
weight
0.10000E+01 volume
0.28521E+02 ppm1
7.913 ppm2
4.791

OR {1084}

((segid “BrD” and resid 34 and name HZ))

((segid “BrD” and resid 82 and name HA))

OR {1084}

(segid “BrD” and resid 68 and name HE%)

((segid “BrD” and resid 73 and name HA))

ASSI {1094}

(segid “BrD” and resid 107 and name HE%)

((segid “BrD” and resid 118 and name HA))

3.200
2.600
2.300 peak
1094
weight
0.10000E+01 volume
0.10760E+03 ppm1
7.918 ppm2
4.683

OR {1094}

(segid “BrD” and resid 107 and name HE%)

((segid “BrD” and resid 76 and name HA))

OR {1094}

(segid “BrD” and resid 68 and name HE%)

((segid “BrD” and resid 58 and name HB))

OR {1094}

(segid “BrD” and resid 68 and name HE%)

((segid “BrD” and resid 67 and name HA))

OR {1094}

(segid “BrD” and resid 107 and name HE%)

((segid “BrD” and resid 104 and name HA))

OR {1094}

(segid “BrD” and resid 107 and name HE%)

((segid “BrD” and resid 80 and name HA))

OR {1094}

(segid “BrD” and resid 68 and name HE%)

((segid “BrD” and resid 69 and name HA))

ASSI {1104}

((segid “BrD” and resid 34 and name HZ))

(segid “BrD” and resid 99 and name HB%)

2.400
1.400
1.400 peak
1104
weight
0.10000E+01 volume
0.63603E+03 ppm1
7.907 ppm2
2.212

OR {1104}

((segid “BrD” and resid 34 and name HZ))

((segid “BrD” and resid 33 and name HD2))

ASSI {1114}

(segid “BrD” and resid 68 and name HE%)

(segid “BrD” and resid 68 and name HD%)

2.100
1.100
1.100 peak
1114
weight
0.10000E+01 volume
0.15243E+04 ppm1
7.904 ppm2
7.776

OR {1114}

(segid “BrD” and resid 107 and name HE%)

(segid “BrD” and resid 107 and name HD%)

OR {1114}

((segid “BrD” and resid 34 and name HZ))

(segid “BrD” and resid 34 and name HE%)

ASSI {1124}

((segid “BrD” and resid 34 and name HZ))

((segid “BrD” and resid 98 and name HB2))

2.500
1.600
1.600 peak
1124
weight
0.10000E+01 volume
0.54441E+03 ppm1
7.898 ppm2
3.659

OR {1124}

(segid “BrD” and resid 107 and name HE%)

((segid “BrD” and resid 82 and name HB1))

OR {1124}

(segid “BrD” and resid 68 and name HE%)

((segid “BrD” and resid 68 and name HB1))

ASSI {1134}

(segid “BrD” and resid 68 and name HE%)

((segid “BrD” and resid 62 and name HG1))

3.600
3.200
1.900 peak
1134
weight
0.10000E+01 volume
0.60159E+02 ppm1
7.900 ppm2
2.343

OR {1134}

(segid “BrD” and resid 68 and name HE%)

((segid “BrD” and resid 73 and name HG))

ASSI {1164}

(segid “BrD” and resid 68 and name HE%)

((segid “BrD” and resid 62 and name HG1))

3.200
2.600
2.300 peak
1164
weight
0.10000E+01 volume
0.12306E+03 ppm1
7.896 ppm2
2.374

OR {1164}

(segid “BrD” and resid 68 and name HE%)

((segid “BrD” and resid 73 and name HG))

OR {1164}

(segid “BrD” and resid 107 and name HE%)

((segid “BrD” and resid 116 and name HB))

ASSI {1204}

(segid “BrD” and resid 68 and name HE%)

((segid “BrD” and resid 68 and name HB2))

2.500
1.600
1.600 peak
1204
weight
0.10000E+01 volume
0.47618E+03 ppm1
7.892 ppm2
3.546

OR {1204}

(segid “BrD” and resid 68 and name HE%)

((segid “BrD” and resid 67 and name HB1))

OR {1204}

(segid “BrD” and resid 107 and name HE%)

((segid “BrD” and resid 82 and name HB2))

OR {1204}

((segid “BrD” and resid 34 and name HZ))

((segid “BrD” and resid 82 and name HB2))

ASSI {1244}

(segid “BrD” and resid 107 and name HE%)

((segid “BrD” and resid 79 and name HB2))

2.500
1.600
1.600 peak
1244
weight
0.10000E+01 volume
0.54491E+03 ppm1
7.891 ppm2
2.644

OR {1244}

(segid “BrD” and resid 68 and name HE%)

((segid “BrD” and resid 62 and name HD2))

ASSI {1254}

(segid “BrD” and resid 107 and name HE%)

((segid “BrD” and resid 116 and name HG11)

2.700
1.800
1.800 peak
1254
weight
0.10000E+01 volume
0.30083E+03 ppm1
7.891 ppm2
1.886

OR {1254}

(segid “BrD” and resid 68 and name HE%)

(segid “BrD” and resid 59 and name HE%)

OR {1254}

(segid “BrD” and resid 107 and name HE%)

((segid “BrD” and resid 103 and name HB2))

ASSI {1274}

((segid “BrD” and resid 34 and name HZ))

((segid “BrD” and resid 98 and name HA))

3.400
2.900
2.100 peak
1274
weight
0.10000E+01 volume
0.84175E+02 ppm1
7.888 ppm2
4.815

OR {1274}

(segid “BrD” and resid 68 and name HE%)

((segid “BrD” and resid 73 and name HA))

ASSI {1284}

(segid “BrD” and resid 107 and name HE%)

((segid “BrD” and resid 103 and name HG2))

2.500
1.600
1.600 peak
1284
weight
0.10000E+01 volume
0.45504E+03 ppm1
7.869 ppm2
2.554

OR {1284}

(segid “BrD” and resid 68 and name HE%)

((segid “BrD” and resid 54 and name HB1))

ASSI {1294}

(segid “BrD” and resid 107 and name HE%)

((segid “BrD” and resid 116 and name HB))

3.300
2.700
2.200 peak
1294
weight
0.10000E+01 volume
0.10144E+03 ppm1
7.888 ppm2
2.422

OR {1294}

((segid “BrD” and resid 34 and name HZ))

((segid “BrD” and resid 101 and name HG11))

ASSI {1304}

(segid “BrD” and resid 68 and name HE%)

(segid “BrD” and resid 58 and name HG2%)

2.600
1.700
1.700 peak
1304
weight
0.10000E+01 volume
0.38056E+03 ppm1
7.888 ppm2
1.656

OR {1304}

(segid “BrD” and resid 107 and name HE%)

((segid “BrD” and resid 110 and name HG12))

ASSI {1444}

(segid “BrD” and resid 107 and name HD%)

((segid “BrD” and resid 104 and name HA))

2.900
2.100
2.100 peak
1444
weight
0.10000E+01 volume
0.19434E+03 ppm1
7.811 ppm2
4.684

OR {1444}

(segid “BrD” and resid 105 and name HD%)

((segid “BrD” and resid 104 and name HA))

OR {1444}

(segid “BrD” and resid 107 and name HD%)

((segid “BrD” and resid 118 and name HA))

OR {1444}

(segid “BrD” and resid 105 and name HD%)

((segid “BrD” and resid 109 and name HA))

ASSI {1504}

(segid “BrD” and resid 105 and name HD%)

((segid “BrD” and resid 105 and name HA))

2.400
1.400
1.400 peak
1504
weight
0.10000E+01 volume
0.65395E+03 ppm1
7.798 ppm2
4.926

OR {1504}

(segid “BrD” and resid 68 and name HD%)

((segid “BrD” and resid 59 and name HA))

ASSI {1514}

(segid “BrD” and resid 107 and name HD%)

((segid “BrD” and resid 106 and name HA))

2.800
2.000
2.000 peak
1514
weight
0.10000E+01 volume
0.27794E+03 ppm1
7.798 ppm2
4.572

OR {1514}

(segid “BrD” and resid 105 and name HD%)

((segid “BrD” and resid 106 and name HA))

OR {1514}

(segid “BrD” and resid 105 and name HD%)

((segid “BrD” and resid 108 and name HB1))

ASSI {1534}

(segid “BrD” and resid 105 and name HD%)

((segid “BrD” and resid 105 and name HB2))

2.200
1.200
1.200 peak
1534
weight
0.10000E+01 volume
0.11824E+04 ppm1
7.799 ppm2
3.674

OR {1534}

(segid “BrD” and resid 107 and name HD%)

((segid “BrD” and resid 107 and name HB1))

ASSI {1534}

(segid “BrD” and resid 68 and name HD%)

((segid “BrD” and resid 68 and name HB1))

ASSI {1554}

(segid “BrD” and resid 34 and name HE%)

((segid “BrD” and resid 102 and name HB2))

2.500
2.500
2.000 peak
1554
weight
0.10000E+01 volume
0.46212E+03 ppm1
7.799 ppm2
1.819

OR {1554}

(segid “BrD” and resid 68 and name HD%)

(segid “BrD” and resid 59 and name HE%)

ASSI {1574}

(segid “BrD” and resid 105 and name HD%)

((segid “BrD” and resid 102 and name HA))

2.800
2.000
2.000 peak
1574
weight
0.10000E+01 volume
0.27340E+03 ppm1
7.797 ppm2
4.278

OR {1574}

(segid “BrD” and resid 105 and name HD%)

((segid “BrD” and resid 101 and name HA))

OR {1574}

(segid “BrD” and resid 34 and name HE%)

((segid “BrD” and resid 102 and name HA))

ASSI {1614}

(segid “BrD” and resid 68 and name HD%)

((segid “BrD” and resid 74 and name HB2))

2.900
2.100
2.100 peak
1614
weight
0.10000E+01 volume
0.20510E+03 ppm1
7.790 ppm2
3.010

OR {1614}

(segid “BrD” and resid 105 and name HD%)

((segid “BrD” and resid 109 and name HE2))

ASSI {1624}

(segid “BrD” and resid 34 and name HE%)

((segid “BrD” and resid 33 and name HD1))

2.800
2.000
2.000 peak
1624
weight
0.10000E+01 volume
0.23703E+03 ppm1
7.786 ppm2
2.796

OR {1624}

((segid “BrD” and resid 32 and name HZ3))

((segid “BrD” and resid 33 and name HD1))

OR {1624}

(segid “BrD” and resid 107 and name HD%)

((segid “BrD” and resid 79 and name HB1))

OR {1624}

((segid “BrD” and resid 32 and name HH2))

((segid “BrD” and resid 33 and name HD1))

ASSI {1654}

(segid “BrD” and resid 34 and name HE%)

((segid “BrD” and resid 85 and name HB1))

2.600
1.700
1.700 peak
1654
weight
0.10000E+01 volume
0.16960E+03 ppm1
7.784 ppm2
3.920

OR {1654}

(segid “BrD” and resid 107 and name HD%)

((segid “BrD” and resid 106 and name HB1))

ASSI {1664}

(segid “BrD” and resid 34 and name HE%)

(segid “BrD” and resid 99 and name HB%)

2.400
1.400
1.400 peak
1664
weight
0.10000E+01 volume
0.66064E+03 ppm1
7.786 ppm2
2.211

OR {1664}

(segid “BrD” and resid 34 and name HE%)

((segid “BrD” and resid 33 and name HD2))

ASSI {1674}

((segid “BrD” and resid 32 and name HH2))

((segid “BrD” and resid 33 and name HG1))

3.300
2.700
2.200 peak
1674
weight
0.10000E+01 volume
0.96896E+02 ppm1
7.786 ppm2
0.876

OR {1674}

((segid “BrD” and resid 32 and name HZ3))

((segid “BrD” and resid 33 and name HG1))

OR {1674}

(segid “BrD” and resid 34 and name HE%)

((segid “BrD” and resid 33 and name HG1))

ASSI {1684}

(segid “BrD” and resid 34 and name HE%)

((segid “BrD” and resid 98 and name HA))

3.400
2.900
2.100 peak
1684
weight
0.10000E+01 volume
0.73775E+02 ppm1
7.783 ppm2
4.815

OR {1684}

((segid “BrD” and resid 32 and name HH2))

((segid “BrD” and resid 94 and name HA))

OR {1684}

(segid “BrD” and resid 68 and name HD%)

((segid “BrD” and resid 73 and name HA))

OR {1684}

(segid “BrD” and resid 107 and name HD%)

((segid “BrD” and resid 108 and name HA))

OR {1684}

(segid “BrD” and resid 68 and name HD%)

((segid “BrD” and resid 60 and name HA))

OR {1684}

((segid “BrD” and resid 32 and name HH2))

((segid “BrD” and resid 98 and name HA))

OR {1684}

(segid “BrD” and resid 34 and name HE%)

((segid “BrD” and resid 86 and name HA))

OR {1684}

(segid “BrD” and resid 107 and name HD%)

((segid “BrD” and resid 116 and name HA))

OR {1684}

(segid “BrD” and resid 105 and name HD%)

((segid “BrD” and resid 108 and name HA))

OR {1684}

((segid “BrD” and resid 32 and name HZ3))

((segid “BrD” and resid 94 and name HA))

ASSI {1704}

(segid “BrD” and resid 68 and name HD%)

((segid “BrD” and resid 62 and name HD1))

2.700
1.800
1.800 peak
1704
weight
0.10000E+01 volume
0.31213E+03 ppm1
7.787 ppm2
3.153

OR {1704}

(segid “BrD” and resid 105 and name HD%)

((segid “BrD” and resid 109 and name HE1))

ASSI {1714}

(segid “BrD” and resid 68 and name HD%)

((segid “BrD” and resid 62 and name HB1))

2.300
1.300
1.300 peak
1714
weight
0.10000E+01 volume
0.79418E+03 ppm1
7.779 ppm2
2.602

OR {1714}

(segid “BrD” and resid 107 and name HD%)

((segid “BrD” and resid 103 and name HG1))

OR {1714}

(segid “BrD” and resid 68 and name HD%)

((segid “BrD” and resid 62 and name HD2))

ASSI {1734}

(segid “BrD” and resid 68 and name HD%)

((segid “BrD” and resid 62 and name HG1))

2.900
2.100
2.100 peak
1734
weight
0.10000E+01 volume
0.18466E+03 ppm1
7.781 ppm2
2.324

OR {1734}

(segid “BrD” and resid 34 and name HE%)

(segid “BrD” and resid 31 and name HB%)

OR {1734}

(segid “BrD” and resid 107 and name HD%)

((segid “BrD” and resid 110 and name HB))

OR {1734}

(segid “BrD” and resid 68 and name HD%)

((segid “BrD” and resid 73 and name HG))

ASSI {1744}

(segid “BrD” and resid 107 and name HD%)

((segid “BrD” and resid 110 and name HG12))

2.300
1.300
1.300 peak
1744
weight
0.10000E+01 volume
0.92480E+03 ppm1
7.781 ppm2
1.641

OR {1744}

(segid “BrD” and resid 34 and name HE%)

(segid “BrD” and resid 25 and name HG2%)

ASSI {1784}

(segid “BrD” and resid 68 and name HD%)

((segid “BrD” and resid 62 and name HG1))

2.400
2.000
2.000 peak
1784
weight
0.10000E+01 volume
0.24728E+01 ppm1
7.781 ppm2
2.374

OR {1784}

(segid “BrD” and resid 107 and name HD%)

((segid “BrD” and resid 110 and name HB))

OR {1784}

(segid “BrD” and resid 68 and name HD%)

((segid “BrD” and resid 73 and name HG))

ASSI {1804}

(segid “BrD” and resid 68 and name HD%)

((segid “BrD” and resid 62 and name HG2))

2.700
1.800
1.800 peak
18.4
weight
0.10000E+01 volume
0.30580E+03 ppm1
7.781 ppm2
1.503

OR {1804}

(segid “BrD” and resid 68 and name HD%)

(segid “BrD” and resid 73 and name HD2%)

ASSI {1884}

(segid “BrD” and resid 96 and name HD%)

((segid “BrD” and resid 92 and name HD1))

2.900
2.100
2.100 peak
1884
weight
0.10000E+01 volume
0.22072E+03 ppm1
7.726 ppm2
2.666

OR {1884}

(segid “BrD” and resid 34 and name HD%)

((segid “BrD” and resid 56 and name HB1))

ASSI {1924}

(segid “BrD” and resid 96 and name HD%)

(segid “BrD” and resid 99 and name HB%)

2.500
1.600
1.600 peak
1924
weight
0.10000E+01 volume
0.55504E+03 ppm1
7.721 ppm2
2.211

OR {1924}

(segid “BrD” and resid 34 and name HD%)

((segid “BrD” and resid 33 and name HD2))

ASSI {1964}

(segid “BrD” and resid 96 and name HD%)

((segid “BrD” and resid 92 and name HG1))

2.800
2.000
2.000 peak
1964
weight
0.10000E+01 volume
0.22599E+03 ppm1
7.714 ppm2
2.796

OR {1964}

(segid “BrD” and resid 34 and name HD%)

((segid “BrD” and resid 33 and name HD1))

OR {1964}

(segid “BrD” and resid 34 and name HD%)

(segid “BrD” and resid 35 and name HE%)

ASSI {1974}

(segid “BrD” and resid 96 and name HD%)

((segid “BrD” and resid 86 and name HB1))

2.300
2.300
3.200 peak
1974
weight
0.10000E+01 volume
0.79213E+03 ppm1
7.717 ppm2
2.321

OR {1974}

(segid “BrD” and resid 34 and name HD%)

(segid “BrD” and resid 31 and name HB%)

ASSI {1994}

(segid “BrD” and resid 34 and name HD%)

(segid “BrD” and resid 81 and name HG2%)

2.400
1.400
1.400 peak
1994
weight
0.10000E+01 volume
0.69140E+03 ppm1
7.717 ppm2
0.762

OR {1994}

(segid “BrD” and resid 96 and name HD%)

((segid “BrD” and resid 84 and name HG2))

ASSI {2054}

(segid “BrD” and resid 34 and name HD%)

((segid “BrD” and resid 81 and name HB))

2.900
2.100
2.100 peak
2.54
weight
0.10000E+01 volume
0.18901E+03 ppm1
7.709 ppm2
2.033

OR {2054}

(segid “BrD” and resid 34 and name HD%)

((segid “BrD” and resid 56 and name HB2))

ASSI {2064}

(segid “BrD” and resid 34 and name HD%)

((segid “BrD” and resid 33 and name HB1))

2.800
2.000
2.000 peak
2064
weight
0.10000E+01 volume
0.24003E+03 ppm1
7.714 ppm2
1.088

OR {2064}

(segid “BrD” and resid 34 and name HD%)

(segid “BrD” and resid 81 and name HG1%)

ASSI {2134}

(segid “BrD” and resid 15 and name HD%)

((segid “BrD” and resid 19 and name HE1))

4.000
4.000
1.500 peak
2134
weight
0.10000E+01 volume
0.29314E+02 ppm1
7.692 ppm2
3.512

OR {2134}

(segid “BrD” and resid 96 and name HD%)

((segid “BrD” and resid 89 and name HB2))

ASSI {2274}

(segid “BrD” and resid 106 and name HE%)

(segid “BrD” and resid 59 and name HE%)

3.400
2.900
2.100 peak
2274
weight
0.10000E+01 volume
0.79128E+02 ppm1
7.640 ppm2
1.820

OR {2274}

(segid “BrD” and resid 106 and name HE%)

(segid “BrD” and resid 25 and name HG1%)

ASSI {2294}

(segid “BrD” and resid 106 and name HE%)

(segid “BrD” and resid 21 and name HG2%)

2.600
1.700
1.700 peak
2294
weight
0.10000E+01 volume
0.41702E+03 ppm1
7.643 ppm2
1.593

OR {2294}

(segid “BrD” and resid 106 and name HE%)

((segid “BrD” and resid 116 and name HG12))

ASSI {2314}

(segid “BrD” and resid 106 and name HE%)

((segid “BrD” and resid 106 and name HB2))

4.000
4.000
1.500 peak
2314
weight
0.10000E+01 volume
0.29399E+02 ppm1
7.633 ppm2
3.693

OR {2314}

(segid “BrD” and resid 95 and name HE%)

((segid “BrD” and resid 89 and name HB1))

OR {2314}

(segid “BrD” and resid 88 and name HD%)

((segid “BrD” and resid 89 and name HB1))

OR {2314}

(segid “BrD” and resid 106 and name HE%)

((segid “BrD” and resid 107 and name HB1))

ASSI {2324}

(segid “BrD” and resid 106 and name HE%)

(segid “BrD” and resid 21 and name HG2%)

2.600
1.700
1.700 peak
2324
weight
0.10000E+01 volume
0.43383E+03 ppm1
7.616 ppm2
1.576

OR {2324}

(segid “BrD” and resid 88 and name HD%)

(segid “BrD” and resid 49 and name HG2%)

OR {2324}

(segid “BrD” and resid 106 and name HE%)

((segid “BrD” and resid 116 and name HG12))

ASSI {2334}

(segid “BrD” and resid 95 and name HE%)

((segid “BrD” and resid 33 and name HB1))

2.900
2.100
2.100 peak
2334
weight
0.10000E+01 volume
0.19423E+03 ppm1
7.623 ppm2
1095

OR {2334}

(segid “BrD” and resid 106 and name HE%)

(segid “BrD” and resid 18 and name HD1%)

ASSI {2344}

(segid “BrD” and resid 95 and name HE%)

((segid “BrD” and resid 32 and name HZ2))

3.300
2.700
2.200 peak
2344
weight
0.10000E+01 volume
0.91993E+02 ppm1
7.615 ppm2
8.004

OR {2344}

(segid “BrD” and resid 106 and name HE%)

((segid “BrD” and resid 107 and name HZ))

ASSI {2364}

(segid “BrD” and resid 95 and name HE%)

((segid “BrD” and resid 95 and name HA))

3.000
2.200
2.200 peak
2354
weight
0.10000E+01 volume
0.18109E+03 ppm1
7.619 ppm2
4.448

OR {2354}

(segid “BrD” and resid 96 and name HE%)

((segid “BrD” and resid 96 and name HA))

OR {2354}

(segid “BrD” and resid 106 and name HE%)

((segid “BrD” and resid 107 and name HA))

OR {2354}

(segid “BrD” and resid 106 and name HE%)

((segid “BrD” and resid 79 and name HA))

ASSI {2364}

(segid “BrD” and resid 95 and name HE%)

((segid “BrD” and resid 33 and name HA))

3.200
2.600
2.300 peak
2364
weight
0.10000E+01 volume
0.11374E+03 ppm1
7.617 ppm2
4.366

OR {2364}

(segid “BrD” and resid 106 and name HE%)

((segid “BrD” and resid 21 and name HA))

ASSI {2374}

(segid “BrD” and resid 88 and name HD%)

((segid “BrD” and resid 87 and name HB1))

3.000
2.200
2.200 peak
2374
weight
0.10000E+01 volume
0.17346E+03 ppm1
7.619 ppm2
2.771

OR {2374}

(segid “BrD” and resid 106 and name HE%)

((segid “BrD” and resid 79 and name HB1))

OR {2374}

(segid “BrD” and resid 95 and name HE%)

((segid “BrD” and resid 33 and name HD1))

OR {2374}

(segid “BrD” and resid 88 and name HD%)

((segid “BrD” and resid 87 and name HG2))

ASSI {2404}

(segid “BrD” and resid 106 and name HE%)

(segid “BrD” and resid 75 and name HE%)

2.800
2.000
2.000 peak
2404
weight
0.10000E+01 volume
0.24430E+03 ppm1
7.425 ppm2
2.618

OR {2404}

(segid “BrD” and resid 88 and name HD%)

((segid “BrD” and resid 49 and name HB))

ASSI {2424}

(segid “BrD” and resid 88 and name HD%)

(segid “BrD” and resid 49 and name HG1%)

2.600
1.700
1.700 peak
2424
weight
0.10000E+01 volume
0.35330E+03 ppm1
7.616 ppm2
1.658

OR {2424}

(segid “BrD” and resid 106 and name HE%)

((segid “BrD” and resid 21 and name HG12))

ASSI {2454}

(segid “BrD” and resid 106 and name HE%)

((segid “BrD” and resid 17 and name HB))

2.500
1.600
1.600 peak
2454
weight
0.10000E+01 volume
0.48101E+03 ppm1
7.611 ppm2
4.815

OR {2454}

(segid “BrD” and resid 96 and name HE%)

((segid “BrD” and resid 86 and name HA))

OR {2454}

(segid “BrD” and resid 96 and name HE%)

((segid “BrD” and resid 97 and name HA))

OR {2454}

(segid “BrD” and resid $$ and name HD%)

((segid “BrD” and resid 87 and name HA))

OR {2454}

(segid “BrD” and resid 96 and name HE%)

((segid “BrD” and resid 92 and name HA))

OR {2454}

(segid “BrD” and resid 95 and name HE%)

((segid “BrD” and resid 94 and name HA))

ASSI {2524}

(segid “BrD” and resid 106 and name HE%)

((segid “BrD” and resid 116 and name HG11))

3.000
2.200
2.200 peak
2524
weight
0.10000E+01 volume
0.14273E+03 ppm1
7.611 ppm2
1.925

OR {2524}

(segid “BrD” and resid 96 and name HE%)

((segid “BrD” and resid 86 and name HG1))

OR {2524}

(segid “BrD” and resid 96 and name HE%)

((segid “BrD” and resid 86 and name HD1))

ASSI {2544}

(segid “BrD” and resid 106 and name HD%)

((segid “BrD” and resid 107 and name HA))

3.100
2.400
2.400 peak
2544
weight
0.10000E+01 volume
0.12798E+03 ppm1
7.538 ppm2
4.390

OR {2544}

(segid “BrD” and resid 106 and name HD%)

((segid “BrD” and resid 79 and name HA))

OR {2544}

(segid “BrD” and resid 74 and name HE%)

((segid “BrD” and resid 74 and name HA))

ASSI {2604}

(segid “BrD” and resid 74 and name HE%)

((segid “BrD” and resid 59 and name HB1))

2.500
1.600
1.600 peak
2604
weight
0.10000E+01 volume
0.55016E+03 ppm1
7.534 ppm2
2.695

OR {2604}

(segid “BrD” and resid 74 and name HE%)

((segid “BrD” and resid 22 and name HB1))

ASSI {2624}

(segid “BrD” and resid 106 and name HD%)

((segid “BrD” and resid 109 and name HB2))

3.000
2.200
2.200 peak
2624
weight
0.10000E+01 volume
0.15519E+03 ppm1
7.534 ppm2
2.146

OR {2624}

(segid “BrD” and resid 74 and name HE%)

((segid “BrD” and resid 18 and name HB1))

ASSI {2644}

(segid “BrD” and resid 74 and name HE%)

((segid “BrD” and resid 63 and name HB2))

2.300
1.300
1.300 peak
2644
weight
0.10000E+01 volume
0.82012E+01 ppm1
7.531 ppm2
2.521

OR {2644}

(segid “BrD” and resid 106 and name HD%)

((segid “BrD” and resid 21 and name HB))

ASSI {2644}

(segid “BrD” and resid 106 and name HD%)

(segid “BrD” and resid 102 and name HD2%)

2.800
2.000
2.000 peak
2664
weight
0.10000E+01 volume
0.24374E+03 ppm1
7.530 ppm2
1.331

OR {2664}

(segid “BrD” and resid 74 and name HE%)

((segid “BrD” and resid 78 and name HB1))

ASSI {2784}

(segid “BrD” and resid 74 and name HE%)

((segid “BrD” and resid 68 and name HB2))

2.900
2.100
2.100 peak
2784
weight
0.10000E+01 volume
0.21978E+03 ppm1
7.530 ppm2
3.559

OR {2784}

(segid “BrD” and resid 74 and name HE%)

((segid “BrD” and resid 74 and name HB1))

OR {2784}

(segid “BrD” and resid 95 and name HD%)

((segid “BrD” and resid 88 and name HB1))

ASSI {2804}

(segid “BrD” and resid 95 and name HD%)

((segid “BrD” and resid 32 and name HH2))

2.800
2.000
2.000 peak
2804
weight
0.10000E+01 volume
0.23332E+03 ppm1
7.520 ppm2
1.793

OR {2804}

(segid “BrD” and resid 106 and name HD%)

(segid “BrD” and resid 107 and name HD%)

ASSI {2814}

(segid “BrD” and resid 106 and name HD%)

((segid “BrD” and resid 78 and name HB2))

3.000
2.200
2.200 peak
2814
weight
0.10000E+01 volume
0.16253E+03 ppm1
7.520 ppm2
1.080

OR {2814}

(segid “BrD” and resid 74 and name HE%)

(segid “BrD” and resid 18 and name HD1%)

OR {2814}

(segid “BrD” and resid 95 and name HD%)

((segid “BrD” and resid 33 and name HE1))

ASSI {2914}

(segid “BrD” and resid 15 and name HE%)

((segid “BrD” and resid 19 and name HE1))

2.900
2.100
2.100 peak
2914
weight
0.10000E+01 volume
0.20135E+03 ppm1
7.488 ppm2
3.545

OR {2914}

(segid “BrD” and resid 95 and name HD%)

((segid “BrD” and resid 88 and name HB1))

ASSI {3164}

(segid “BrD” and resid 62 and name HD%)

((segid “BrD” and resid 103 and name HB1))

2.700
1.800
1.800 peak
3164
weight
0.10000E+01 volume
0.29307E+03 ppm1
7.270 ppm2
2.309

OR {3164}

(segid “BrD” and resid 47 and name HE%)

((segid “BrD” and resid 37 and name HB2))

ASSI {3284}

(segid “BrD” and resid 82 and name HD%)

(segid “BrD” and resid 34 and name HE%)

2.800
2.000
2.000 peak
3284
weight
0.10000E+01 volume
0.24492E+03 ppm1
7.263 ppm2
7.800

OR {3284}

(segid “BrD” and resid 82 and name HD%)

(segid “BrD” and resid 107 and name HD%)

ASSI {3324}

(segid “BrD” and resid 82 and name HE%)

((segid “BrD” and resid 79 and name HA))

2.900
2.100
2.100 peak
3324
weight
0.10000E+01 volume
0.20070E+03 ppm1
7.074 ppm2
4.440

OR {3324}

(segid “BrD” and resid 82 and name HE%)

((segid “BrD” and resid 107 and name HA))

ASSI {3394}

(segid “BrD” and resid 82 and name HE%)

((segid “BrD” and resid 81 and name HB))

3.600
1.700
1.700 peak
3394
weight
0.10000E+01 volume
0.37424E+03 ppm1
7.069 ppm2
2.012

OR {3394}

(segid “BrD” and resid 82 and name HE%)

((segid “BrD” and resid 102 and name HB1))

ASSI {3414}

(segid “BrD” and resid 82 and name HE%)

(segid “BrD” and resid 25 and name HG2%)

3.400
2.900
2.100 peak
3414
weight
0.10000E+01 volume
0.73603E+02 ppm1
7.067 ppm2
1.641

OR {3414}

(segid “BrD” and resid 82 and name HE%)

((segid “BrD” and resid 110 and name HG12))

ASSI {3474}

((segid “BrD” and resid 82 and name HZ))

((segid “BrD” and resid 102 and name HG))

2.800
2.000
2.000 peak
3474
weight
0.10000E+01 volume
0.23859E+03 ppm1
7.025 ppm2
2.163

OR {3474}

(segid “BrD” and resid 74 and name HD%)

((segid “BrD” and resid 18 and name HB1))

ASSI {3484}

(segid “BrD” and resid 74 and name HD%)

(segid “BrD” and resid 78 and name HD1%)

2.900
2.100
2.100 peak
3484
weight
0.10000E+01 volume
0.18792E+03 ppm1
7.023 ppm2
0.780

OR {3484}

((segid “BrD” and resid 82 and name HZ))

(segid “BrD” and resid 78 and name HD1%)

ASSI {3494}

(segid “BrD” and resid 74 and name HD%)

((segid “BrD” and resid 68 and name HB1))

2.900
2.100
2.100 peak
3494
weight
0.10000E+01 volume
0.19853E+03 ppm1
7.022 ppm2
3.708

OR {3494}

((segid “BrD” and resid 82 and name HZ))

((segid “BrD” and resid 106 and name HB2))

ASSI {3504}

((segid “BrD” and resid 82 and name HZ))

((segid “BrD” and resid 81 and name HB))

3.100
2.400
2.400 peak
3504
weight
0.10000E+01 volume
0.12383E+03 ppm1
7.023 ppm2
2.034

OR {3504}

(segid “BrD” and resid 74 and name HD%)

((segid “BrD” and resid 14 and name HG))

ASSI {3544}

(segid “BrD” and resid 74 and name HD%)

((segid “BrD” and resid 18 and name HG))

3.400
2.900
2.100 peak
3544
weight
0.10000E+01 volume
0.82384E+02 ppm1
7.005 ppm2
2.307

OR {3544}

((segid “BrD” and resid 82 and name HZ))

((segid “BrD” and resid 103 and name HB1))

OR {3544}

(segid “BrD” and resid 74 and name HD%)

((segid “BrD” and resid 11 and name HG12))

OR {3544}

(segid “BrD” and resid 74 and name HD%)

((segid “BrD” and resid 62 and name HG1))

OR {3544}

(segid “BrD” and resid 74 and name HD%)

((segid “BrD” and resid 73 and name HG))

OR {3544}

((segid “BrD” and resid 82 and name HZ))

((segid “BrD” and resid 21 and name HG11))

ASSI {3554}

(segid “BrD” and resid 74 and name HD%)

(segid “BrD” and resid 63 and name HD1%)

2.500
1.600
1.600 peak
3554
weight
0.10000E+01 volume
0.51806E+03 ppm1
7.009 ppm2
1.641

OR {3544}

(segid “BrD” and resid 74 and name HD%)

(segid “BrD” and resid 22 and name HD1%)

ASSI {3564}

(segid “BrD” and resid 74 and name HD%)

(segid “BrD” and resid 68 and name HE%)

3.100
2.400
2.400 peak
3564
weight
0.10000E+01 volume
0.13987E+03 ppm1
7.005 ppm2
7.$$

OR {3564}

((segid “BrD” and resid 82 and name HZ))

(segid “BrD” and resid 107 and name HE%)

ASSI {3584}

(segid “BrD” and resid 74 and name HD%)

(segid “BrD” and resid 106 and name HE%)

3.000
2.200
2.200 peak
3584
weight
0.10000E+01 volume
0.17632E+03 ppm1
7.005 ppm2
7.647

OR {3584}

((segid “BrD” and resid 82 and name HZ))

(segid “BrD” and resid 106 and name HE%)

ASSI {3604}

(segid “BrD” and resid 74 and name HD%)

((segid “BrD” and resid 71 and name HA))

3.300
2.700
2.200 peak
3604
weight
0.10000E+01 volume
0.95504E+02 ppm1
7.005 ppm2
4.636

OR {3604}

(segid “BrD” and resid 74 and name HD%)

((segid “BrD” and resid 15 and name HA))

OR {3604}

(segid “BrD” and resid 74 and name HD%)

((segid “BrD” and resid 76 and name HA))

OR {3604}

(segid “BrD” and resid 74 and name HD%)

((segid “BrD” and resid 56 and name HA))

OR {3604}

(segid “BrD” and resid 74 and name HD%)

((segid “BrD” and resid 72 and name HA))

OR {3604}

(segid “BrD” and resid 74 and name HD%)

((segid “BrD” and resid 14 and name HA))

OR {3604}

(segid “BrD” and resid 74 and name HD%)

((segid “BrD” and resid 67 and name HA))

OR {3604}

(segid “BrD” and resid 74 and name HD%)

((segid “BrD” and resid 60 and name HB2))

OR {3604}

((segid “BrD” and resid 82 and name HZ))

((segid “BrD” and resid 104 and name HA))

ASSI {3634}

(segid “BrD” and resid 74 and name HD%)

((segid “BrD” and resid 75 and name HG2))

3.100
2.400
2.400 peak
3634
weight
0.10000E+01 volume
0.12756E+03 ppm1
7.004 ppm2
3.221

OR {3634}

(segid “BrD” and resid 74 and name HD%)

((segid “BrD” and resid 59 and name HG1))

OR {3634}

(segid “BrD” and resid 74 and name HD%)

((segid “BrD” and resid 59 and name HG2))

ASSI {3664}

(segid “BrD” and resid 74 and name HD%)

((segid “BrD” and resid 63 and name HB2))

3.600
3.200
1.900 peak
3664
weight
0.10000E+01 volume
0.57581E+02 ppm1
7.005 ppm2
2.520

OR {3664}

((segid “BrD” and resid 82 and name HZ))

((segid “BrD” and resid 21 and name HB))

ASSI {3674}

((segid “BrD” and resid 82 and name HZ))

((segid “BrD” and resid 21 and name HB))

3.700
3.400
1.800 peak
3674
weight
0.10000E+01 volume
0.46728E+02 ppm1
7.004 ppm2
2.494

OR {3674}

(segid “BrD” and resid 74 and name HD%)

((segid “BrD” and resid 59 and name HB2))

OR {3674}

(segid “BrD” and resid 74 and name HD%)

((segid “BrD” and resid 73 and name HB2))

ASSI {3694}

(segid “BrD” and resid 74 and name HD%)

(segid “BrD” and resid 63 and name HD2%)

3.500
3.100
2.000 peak
3694
weight
0.10000E+01 volume
0.62447E+02 ppm1
7.00$$ ppm2
1.496

OR {$$}

(segid “BrD” and resid 74 and name HD%)

(segid “BrD” and resid 73 and name HD2%)

ASSI {3854}

(segid “BrD” and resid 46 and name HE%)

((segid “BrD” and resid 50 and name HG12))

2.700
1.800
1.800 peak
3854
weight
0.10000E+01 volume
0.29261E+03 ppm1
6.687 ppm2
0.795

OR {3854}

(segid “BrD” and resid 46 and name HE%)

(segid “BrD” and resid 38 and name HG2%)

ASSI {3954}

(segid “BrD” and resid 46 and name HD%)

((segid “BrD” and resid 50 and name HG12))

3.200
2.600
2.300 peak
3954
weight
0.10000E+01 volume
0.11437E+03 ppm1
5.740 ppm2
0.796

OR {3954}

(segid “BrD” and resid 46 and name HD%)

(segid “BrD” and resid 38 and name HG2%)

ASSI {4144}

(segid “BrD” and resid 74 and name HD%)

((segid “BrD” and resid 78 and name HG))

3.400
2.900
2.100 peak
4144
weight
0.10000E+01 volume
0.77150E+02 ppm1
7.005 ppm2
1.249

OR {4144}

((segid “BrD” and resid 82 and name HZ))

((segid “BrD” and resid 78 and name HG))

ASSI {4154}

(segid “BrD” and resid 74 and name HE%)

(segid “BrD” and resid 22 and name HD1%)

2.400
1.400
1.400 peak
4154
weight
0.10000E+01 volume
0.70341E+03 ppm1
7.534 ppm2
1.676

OR {4154}

(segid “BrD” and resid 106 and name HD%)

((segid “BrD” and resid 21 and name HG12))

ASSI {4174}

(segid “BrD” and resid 96 and name HD%)

((segid “BrD” and resid 100 and name HA))

3.100
2.400
2.400 peak
4174
weight
0.10000E+01 volume
0.13533E+03 ppm1
7.689 ppm2
4.927

OR {4174}

(segid “BrD” and resid 34 and name HD%)

((segid “BrD” and resid 35 and name HA))

OR {4174}

(segid “BrD” and resid 15 and name HD%)

((segid “BrD” and resid 64 and name HA))

OR {4174}

(segid “BrD” and resid 15 and name HD%)

((segid “BrD” and resid 11 and name HA))

OR {4174}

(segid “BrD” and resid 34 and name HD%)

((segid “BrD” and resid 32 and name HA))

ASSI {4224}

(segid “BrD” and resid 88 and name HD%)

((segid “BrD” and resid 50 and name HG12))

3.200
2.400
2.400 peak
4224
weight
0.10000E+01 volume
0.12837E+03 ppm1
7.415 ppm2
0.845

OR {4224}

(segid “BrD” and resid 95 and name HE%)

((segid “BrD” and resid 33 and name HG1))

ASSI {4234}

(segid “BrD” and resid 96 and name HE%)

(segid “BrD” and resid 99 and name HB%)

3.300
2.700
2.200 peak
4234
weight
0.10000E+01 volume
0.94963E+02 ppm1
7.611 ppm2
2.178

OR {4234}

(segid “BrD” and resid 106 and name HE%)

((segid “BrD” and resid 18 and name HB2))

OR {4234}

(segid “BrD” and resid 106 and name HE%)

((segid “BrD” and resid 109 and name HB2))

OR {4234}

(segid “BrD” and resid 106 and name HE%)

((segid “BrD” and resid 115 and name HB1))

OR {4234}

(segid “BrD” and resid 106 and name HE%)

((segid “BrD” and resid 115 and name HG))

ASSI {4244}

(segid “BrD” and resid 106 and name HE%)

(segid “BrD” and resid 78 and name HD1%)

3.100
2.400
2.400 peak
4244
weight
0.10000E+01 volume
0.14012E+03 ppm1
7.616 ppm2
0.763

OR {4244}

(segid “BrD” and resid 96 and name HE%)

((segid “BrD” and resid 86 and name HG2))

ASSI {4284}

(segid “BrD” and resid 74 and name HE%)

((segid “BrD” and resid 74 and name HB2))

3.000
2.200
2.200 peak
4284
weight
0.10000E+01 volume
0.18031E+03 ppm1
7.534 ppm2
3.010

OR {4284}

(segid “BrD” and resid 106 and name HD%)

((segid “BrD” and resid 109 and name HE2))

ASSI {4344}

((segid “BrD” and resid 34 and name HZ))

((segid “BrD” and resid 28 and name HD2))

3.100
2.400
2.400 peak
4344
weight
0.10000E+01 volume
0.12962E+03 ppm1
7.904 ppm2
5.555

OR {4344}

(segid “BrD” and resid 68 and name HE%)

((segid “BrD” and resid 54 and name HA))

ASSI {4354}

(segid “BrD” and resid 106 and name HD%)

((segid “BrD” and resid 78 and name HB2))

2.900
2.100
2.100 peak
4354
weight
0.10000E+01 volume
0.19182E+03 ppm1
7.539 ppm2
1.089

OR {4354}

(segid “BrD” and resid 74 and name HE%)

(segid “BrD” and resid 18 and name HD1%)

TABLE 4

Hydrogen Bonding Restraints

!Helix Z

assign (residue 19 and name HN) (residue 15 and name O)
1.80
0.0
0.40

assign (residue 19 and name N) (residue 15 and name O)
2.80
0.30
0.40

assign (residue 22 and name HN) (residue 18 and name O)
1.80
0.0
0.40

assign (residue 22 and name N) (residue 18 and name O)
2.80
0.30
0.40

assign (residue 23 and name HN) (residue 19 and name O)
1.80
0.0
0.40

assign (residue 23 and name N) (residue 19 and name O)
2.80
0.30
0.40

assign (residue 24 and name HN) (residue 20 and name O)
1.80
0.0
0.40

assign (residue 24 and name N) (residue 20 and name O)
2.80
0.30
0.40

assign (residue 25 and name HN) (residue 21 and name O)
1.80
0.0
0.40

assign (residue 25 and name N) (residue 21 and name O)
2.80
0.30
0.40

!Helix B

assign (residue 75 and name HN) (residue 71 and name O)
1.80
0.0
0.40

assign (residue 75 and name N) (residue 71 and name O)
2.80
0.30
0.40

!assign (residue 77 and name HN) (residue 73 and name O)
1.80
0.0
0.40

!assign (residue 77 and name N) (residue 73 and name O)
2.80
0.30
0.40

assign (residue 78 and name HN) (residue 74 and name O)
1.80
0.0
0.40

assign (residue 78 and name N) (residue 74 and name O)
2.80
0.30
0.40

assign (residue 79 and name HN) (residue 75 and name O)
1.80
0.0
0.40

assign (residue 79 and name N) (residue 75 and name O)
2.80
0.30
0.40

!assign (residue 80 and name HN) (residue 76 and name O)
1.80
0.0
0.40

!assign (residue 80 and name N) (residue 76 and name O)
2.80
0.30
0.40

assign (residue 81 and name HN) (residue 77 and name O)
1.80
0.0
0.40

assign (residue 81 and name N) (residue 77 and name O)
2.80
0.30
0.40

assign (residue 82 and name HN) (residue 78 and name O)
1.80
0.0
0.40

assign (residue 82 and name N) (residue 78 and name O)
2.80
0.30
0.40

!Helix C

assign (residue 102 and name HN) (residue 98 and name O)
1.80
0.0
0.40

assign (residue 102 and name N) (residue 98 and name O)
2.80
0.30
0.40

assign (residue 103 and name HN) (residue 99 and name O)
1.80
0.0
0.40

assign (residue 103 and name N) (residue 99 and name O)
2.80
0.30
0.40

assign (residue 104 and name HN) (residue 100 and name O)
1.80
0.0
0.40

assign (residue 104 and name N) (residue 100 and name O)
2.80
0.30
0.40

assign (residue 104 and name HN) (residue 101 and name O)
1.80
0.0
0.40

assign (residue 104 and name N) (residue 101 and name O)
2.80
0.30
0.40

TABLE 5

Atomic Structure Coordinates of the

Free Form of the P/CAF Bromodomain

REMARK
FILENAME*‘/bloch2/chris/BROMO_XPLOR_ARIA32/structures/it0/brd_187.pdb’

REMARK
initial random number seed: 1.342876E+11

REMARK
***************************************************************

REMARK
overall, bonds, angles, improper, vdw, noe, cd1h

REMARK
energies: 157.923, 9.30626, 73.1523, 0, 23.1819, 36.4277, 0.228429

REMARK
***************************************************************

REMARK
bonds, angles, improper, noe, cd1h

REMARK
rms-dev.: 2.164156E−03, 0.365011, 50.3111, 1.418985E−02, 0.263503

REMARK
***************************************************************

REMARK
noe, cd1h

REMARK
violations.: 2. 0

REMARK
***************************************************************

REMARK
DATE:29-Nov-98 06:51:33 created by user:

ATOM
1
CA
GLY
1
27.208
16.825
−6.349
1.00
0.00

ATOM
2
HA1
GLY
1
26.763
16.827
−5.365
1.00
0.00

ATOM
3
HA2
GLY
1
28.041
17.514
−6.357
1.00
0.00

ATOM
4
C
GLY
1
27.723
15.432
−6.650
1.00
0.00

ATOM
5
O
GLY
1
28.656
15.263
−7.435
1.00
0.00

ATOM
6
N
GLY
1
26.194
17.285
−7.337
1.00
0.00

ATOM
7
HT1
GLY
1
26.586
18.049
−7.923
1.00
0.00

ATOM
8
HT2
GLY
1
25.350
17.641
−6.843
1.00
0.00

ATOM
9
HT3
GLY
1
25.914
16.490
−7.955
1.00
0.00

ATOM
10
N
SER
2
27.113
14.432
−6.024
1.00
0.00

ATOM
11
HN
SER
2
26.376
14.629
−5.409
1.00
0.00

ATOM
12
CA
SER
2
27.516
13.044
−6.226
1.00
0.00

ATOM
13
HA
SER
2
28.481
13.047
−6.712
1.00
0.00

ATOM
14
CB
SER
2
27.638
12.329
−4.878
1.00
0.00

ATOM
15
HB1
SER
2
26.906
12.729
−4.193
1.00
0.00

ATOM
16
HB2
SER
2
27.462
11.273
−5.017
1.00
0.00

ATOM
17
CG
SER
2
28.927
12.508
−4.319
1.00
0.00

ATOM
18
HG
SER
2
29.571
12.014
−4.832
1.00
0.00

ATOM
19
C
SER
2
26.519
12.308
−7.114
1.00
0.00

ATOM
20
O
SER
2
25.320
12.288
−6.835
1.00
0.00

ATOM
21
N
HIS
3
27.022
11.698
−8.183
1.00
0.00

ATOM
22
HN
HIS
3
27.986
11.747
−8.353
1.00
0.00

ATOM
23
CA
HIS
3
26.173
10.955
−9.106
1.00
0.00

ATOM
24
HA
HIS
3
25.157
11.295
−8.967
1.00
0.00

ATOM
25
CB
HIS
3
26.594
11.222
−10.553
1.00
0.00

ATOM
26
HB1
HIS
3
26.616
12.288
−10.723
1.00
0.00

ATOM
27
HB2
HIS
3
27.581
10.834
−10.714
1.00
0.00

ATOM
28
CG
HIS
3
25.671
10.612
−11.561
1.00
0.00

ATOM
29
ND1
HIS
3
25.985
10.494
−12.900
1.00
0.00

ATOM
30
HD1
HIS
3
26.820
10.790
−13.320
1.00
0.00

ATOM
31
CD2
HIS
3
24.433
10.080
−11.420
1.00
0.00

ATOM
32
HD2
HIS
3
23.870
10.003
−10.501
1.00
0.00

ATOM
33
CE1
HIS
3
28.981
9.918
−13.537
1.00
0.00

ATOM
34
HE1
HIS
3
26.965
9.698
−14.594
1.00
0.00

ATOM
35
NE2
HIS
3
24.028
9.658
−12.662
1.00
0.00

ATOM
36
HE2
HIS
3
23.171
9.230
−12.968
1.00
0.00

ATOM
37
C
HIS
3
26.233
9.459
−8.817
1.00
0.00

ATOM
38
O
HIS
3
26.214
8.638
−9.734
1.00
0.00

ATOM
39
N
MET
4
26.305
9.111
−7.536
1.00
0.00

ATOM
40
HN
MET
4
26.314
9.811
−6.850
1.00
0.00

ATOM
41
CA
MET
4
26.364
7.713
−7.128
1.00
0.00

ATOM
42
HA
MET
4
26.164
7.105
−7.998
1.00
0.00

ATOM
43
CB
MET
4
27.755
7.374
−6.591
1.00
0.00

ATOM
44
HB1
MET
4
28.456
8.117
−6.944
1.00
0.00

ATOM
45
HB2
MET
4
27.730
7.800
−5.512
1.00
0.00

ATOM
46
CG
MET
4
28.254
6.005
−7.024
1.00
0.00

ATOM
47
HG1
MET
4
27.433
5.306
−6.972
1.00
0.00

ATOM
48
HG2
MET
4
28.606
6.071
−8.043
1.00
0.00

ATOM
49
SD
MET
4
29.597
5.394
−5.988
1.00
0.00

ATOM
50
CE
MET
4
28.922
3.825
−5.449
1.00
0.00

ATOM
51
HE1
MET
4
29.243
3.623
−4.438
1.00
0.00

ATOM
52
HE2
MET
4
29.273
3.039
−6.102
1.00
0.00

ATOM
53
HE3
MET
4
27.843
3.866
−5.483
1.00
0.00

ATOM
54
C
MET
4
25.310
7.413
−6.067
1.00
0.00

ATOM
55
O
MET
4
25.333
7.983
−4.977
1.00
0.00

ATOM
56
N
SER
5
24.386
6.517
−6.398
1.00
0.00

ATOM
57
HN
SER
5
24.422
6.098
−7.283
1.00
0.00

ATOM
58
CA
SER
5
23.321
6.141
−5.476
1.00
0.00

ATOM
59
HA
SER
5
23.780
5.750
−4.580
1.00
0.00

ATOM
60
CB
SER
5
22.879
7.366
−5.111
1.00
0.00

ATOM
61
HB1
SER
5
22.188
7.882
−6.014
1.00
0.00

ATOM
62
HB2
SER
5
23.062
8.029
−4.490
1.00
0.00

ATOM
63
CG
SER
5
21.309
6.990
−4.405
1.00
0.00

ATOM
64
HG
SER
5
21.060
7.693
−3.800
1.00
0.00

ATOM
65
C
SER
5
22.431
5.062
−6.084
1.00
0.00

ATOM
66
O
SER
5
21.471
5.362
−6.794
1.00
0.00

ATOM
67
N
LYS
6
22.756
3.805
−5.800
1.00
0.00

ATOM
68
HN
LYS
6
23.532
3.630
−5.228
1.00
0.00

ATOM
69
CA
LYS
6
21.987
2.680
−4.319
1.00
0.00

ATOM
70
HA
LYS
6
21.642
2.942
−7.308
1.00
0.00

ATOM
71
CB
LYS
6
22.869
1.433
−6.409
1.00
0.00

ATOM
72
HB1
LYS
6
22.266
0.563
−6.192
1.00
0.00

ATOM
73
HB2
LYS
6
22.255
1.508
−5.673
1.00
0.00

ATOM
74
CG
LYS
6
23.510
1.238
−7.773
1.00
0.00

ATOM
75
HG1
LYS
6
24.045
2.138
−8.041
1.00
0.00

ATOM
76
HG2
LYS
6
24.201
0.409
−7.721
1.00
0.00

ATOM
77
CE
LYS
6
22.469
0.947
−8.842
1.00
0.00

ATOM
78
HD1
LYS
6
21.794
1.787
−8.911
1.00
0.00

ATOM
79
HD2
LYS
6
22.970
0.804
−9.788
1.00
0.00

ATOM
80
CE
LYS
6
21.669
−0.304
−8.514
1.00
0.00

ATOM
81
HE1
LYS
6
21.107
−0.129
−7.608
1.00
0.00

ATOM
82
HE2
LYS
6
20.987
−0.503
−9.327
1.00
0.00

ATOM
83
NZ
LYS
6
22.548
−1.489
−8.317
1.00
0.00

ATOM
84
HZ1
LYS
6
23.320
−1.481
−9.014
1.00
0.00

ATOM
85
HZ2
LYS
6
21.999
−2.365
−8.435
1.00
0.00

ATOM
86
HZ3
LYS
6
22.958
−1.476
−7.362
1.00
0.00

ATOM
87
C
LYS
6
20.776
2.397
−5.436
1.00
0.00

ATOM
88
O
LYS
6
20.863
1.638
−4.471
1.00
0.00

ATOM
89
N
GLU
7
19.646
3.011
−5.773
1.00
0.00

ATOM
90
HN
GLU
7
19.637
3.606
−6.552
1.00
0.00

ATOM
91
CA
GLU
7
18.420
2.825
−5.005
1.00
0.00

ATOM
92
HA
GLU
7
18.531
1.926
−4.418
1.00
0.00

ATOM
93
CB
GLU
7
18.200
4.011
−4.064
1.00
0.00

ATOM
94
HB1
GLU
7
18.505
4.916
−4.567
1.00
0.00

ATOM
95
HB2
GLU
7
17.148
4.078
−3.828
1.00
0.00

ATOM
96
CG
GLU
7
18.975
3.904
−2.762
1.00
0.00

ATOM
97
HG1
GLU
7
19.746
3.156
−2.876
1.00
0.00

ATOM
98
HG2
GLU
7
19.430
4.860
−2.548
1.00
0.00

ATOM
99
CD
GLU
7
18.095
3.515
−1.589
1.00
0.00

ATOM
100
OE1
GLU
7
17.118
4.243
−1.312
1.00
0.00

ATOM
101
OE2
GLU
7
18.383
2.483
−0.947
1.00
0.00

ATOM
102
C
GLU
7
17.215
2.662
−5.928
1.00
0.00

ATOM
103
O
GLU
7
16.278
3.461
−5.886
1.00
0.00

ATOM
104
N
PRO
8
17.218
1.617
−6.772
1.00
0.00

ATOM
105
CA
PRO
8
16.120
1.352
−7.702
1.00
0.00

ATOM
106
HA
PRO
8
15.785
2.256
−8.189
1.00
0.00

ATOM
107
CB
PRO
8
16.760
0.419
−8.727
1.00
0.00

ATOM
108
HB1
PRO
8
17.200
1.002
−9.523
1.00
0.00

ATOM
109
HB2
PRO
8
16.011
−0.245
−9.130
1.00
0.00

ATOM
110
CG
PRO
8
17.796
−0.327
−7.958
1.00
0.00

ATOM
111
HG1
PRO
8
17.257
−1.205
−7.508
1.00
0.00

ATOM
112
HG2
PRO
8
18.607
−0.608
−8.614
1.00
0.00

ATOM
113
CD
PRO
8
18.294
0.613
−6.889
1.00
0.00

ATOM
114
HD1
PRO
8
18.629
0.085
−5.956
1.00
0.00

ATOM
115
HD2
PRO
8
19.200
1.075
−7.197
1.00
0.00

ATOM
116
C
PRO
8
14.938
0.669
−7.021
1.00
0.00

ATOM
117
O
PRO
8
13.782
0.974
−7.360
1.00
0.00

ATOM
118
N
ARG
9
15.236
−0.196
−6.057
1.00
0.00

ATOM
119
HN
ARG
9
14.176
−0.357
−5.833
1.00
0.00

ATOM
120
CA
ARG
9
14.199
−0.917
−5.328
1.00
0.00

ATOM
121
HA
ARG
9
13.522
−0.189
−4.906
1.00
0.00

ATOM
122
CB
ARG
9
13.431
−1.830
−6.279
1.00
0.00

ATOM
123
HB1
ARG
9
12.822
−2.504
−5.695
1.00
0.00

ATOM
124
HB2
ARG
9
12.778
−1.222
−6.898
1.00
0.00

ATOM
125
CG
ARG
9
14.313
−2.661
−7.188
1.00
0.00

ATOM
126
HG1
ARG
9
14.295
−2.236
−8.181
1.00
0.00

ATOM
127
HG2
ARG
9
15.322
−2.640
−6.803
1.00
0.00

ATOM
128
CD
ARG
9
13.843
−4.106
−7.263
1.00
0.00

ATOM
129
HD1
ARG
9
13.831
−4.518
−6.264
1.00
0.00

ATOM
130
HD2
ARG
9
12.844
−4.125
−7.671
1.00
0.00

ATOM
131
NE
ARG
9
14.714
−4.926
−8.102
1.00
0.00

ATOM
132
HE
ARG
9
13.302
−4.464
−8.735
1.00
0.00

ATOM
133
CZ
ARG
9
14.745
−5.255
−8.053
1.00
0.00

ATOM
134
NH1
ARG
9
13.960
−6.908
−7.208
1.00
0.00

ATOM
135
HH11
ARG
9
13.342
−6.401
−6.506
1.00
0.00

ATOM
136
HH12
ARG
9
13.985
−7.907
−7.172
1.00
0.00

ATOM
137
NH2
ARG
9
15.563
−6.932
−8.850
1.00
0.00

ATOM
138
HH21
ARG
9
16.157
−6.444
−9.689
1.00
0.00

ATOM
139
HH22
ARG
9
15.585
−7.931
−8.810
1.00
0.00

ATOM
140
C
ARG
9
14.800
−1.744
−4.196
1.00
0.00

ATOM
141
O
ARG
9
14.421
−2.897
−3.991
1.00
0.00

ATOM
142
N
ASP
10
15.732
−1.144
−1.458
1.00
0.00

ATOM
143
HN
ASP
10
15.988
−0.223
−3.673
1.00
0.00

ATOM
144
CA
ASP
10
16.393
−1.824
−2.345
1.00
0.00

ATOM
145
HA
ASP
10
17.087
−2.450
−2.760
1.00
0.00

ATOM
146
CB
ASP
10
17.169
−0.813
−1.497
1.00
0.00

ATOM
147
HB1
ASP
10
17.594
−0.041
−2.146
1.00
0.00

ATOM
148
HB2
ASP
10
16.490
−0.341
−0.802
1.00
0.00

ATOM
149
CG
ASP
10
18.292
−1.457
−0.708
1.00
0.00

ATOM
150
OD1
ASP
10
18.771
−2.532
−1.126
1.00
0.00

ATOM
151
OD2
ASP
10
18.692
−0.886
0.328
1.00
0.00

ATOM
152
C
ASP
10
15.383
−2.585
−1.468
1.00
0.00

ATOM
153
O
ASP
10
14.728
−1.961
−0.619
1.00
0.00

ATOM
154
N
PRO
11
15.249
−3.889
−1.658
1.00
0.00

ATOM
155
CA
PRO
11
14.309
−4.709
−0.887
1.00
0.00

ATOM
156
HA
PRO
11
13.311
−4.297
−0.920
1.00
0.00

ATOM
157
CB
PRO
11
14.326
−6.068
−1.607
1.00
0.00

ATOM
158
HB1
PRO
11
13.311
−6.399
−1.772
1.00
0.00

ATOM
159
HB2
PRO
11
14.849
−6.791
−0.999
1.00
0.00

ATOM
160
CG
PRO
11
15.036
−5.829
−2.899
1.00
0.00

ATOM
161
HG1
PRO
11
15.582
−6.715
−3.288
1.00
0.00

ATOM
162
HG2
PRO
11
14.324
−5.561
−3.666
1.00
0.00

ATOM
163
CD
PRO
11
15.981
−4.692
−2.646
1.00
0.00

ATOM
164
HD1
PRO
11
16.155
−4.133
−3.552
1.00
0.00

ATOM
165
HD2
PRO
11
16.911
−5.056
−2.237
1.00
0.00

ATOM
166
C
PRO
11
14.732
−4.881
0.572
1.00
0.00

ATOM
167
O
PRO
11
11.991
−5.446
1.375
1.00
0.00

ATOM
168
N
ASP
12
15.926
−4.397
0.912
1.00
0.00

ATOM
169
HN
ASP
12
16.477
−3.954
0.236
1.00
0.00

ATOM
170
CA
ASP
12
16.430
−4.508
2.276
1.00
0.00

ATOM
171
HA
ASP
12
16.402
−5.551
2.554
1.00
0.00

ATOM
172
CB
ASP
12
17.874
−4.008
2.352
1.00
0.00

ATOM
173
HB1
ASP
12
18.146
−3.873
3.385
1.00
0.00

ATOM
174
HB2
ASP
12
17.948
−3.061
1.839
1.00
0.00

ATOM
175
CG
ASP
12
18.856
−4.975
1.721
1.00
0.00

ATOM
176
OD1
ASP
12
18.870
−6.157
2.125
1.00
0.00

ATOM
177
OD2
ASP
12
19.415
−4.549
0.824
1.00
0.00

ATOM
178
C
ASP
12
15.555
−3.719
3.243
1.00
0.00

ATOM
179
O
ASP
12
14.689
−4.282
3.913
1.00
0.00

ATOM
180
N
GLN
13
15.785
−2.412
3.309
1.00
0.00

ATOM
181
HN
GLN
13
16.486
−2.020
2.748
1.00
0.00

ATOM
182
CA
GLN
13
15.012
−1.546
4.191
1.00
0.00

ATOM
183
HA
GLN
13
15.115
−1.923
5.197
1.00
0.00

ATOM
184
CB
GLN
13
15.550
−0.115
4.134
1.00
0.00

ATOM
185
HB1
GLN
13
15.055
0.411
3.331
1.00
0.00

ATOM
186
HB2
GLN
13
16.610
−0.149
3.931
1.00
0.00

ATOM
187
CG
GLN
13
15.336
0.669
5.420
1.00
0.00

ATOM
188
HG1
GLN
13
15.288
−0.025
6.248
1.00
0.00

ATOM
189
HG2
GLN
13
14.403
1.208
5.347
1.00
0.00

ATOM
190
CD
GLN
13
16.450
1.662
5.681
1.00
0.00

ATOM
191
OE1
GLN
13
16.875
2.391
4.790
1.00
0.00

ATOM
192
NE2
GLN
13
16.930
1.695
6.925
1.00
0.00

ATOM
193
HE21
GLN
13
17.651
2.328
7.125
1.00
0.00

ATOM
194
HE22
GLN
13
16.543
1.085
7.507
1.00
0.00

ATOM
195
C
GLN
13
13.538
−1.566
3.807
1.00
0.00

ATOM
196
O
GLN
13
12.658
−1.099
4.666
1.00
0.00

ATOM
197
N
LEU
14
13.278
−1.666
2.509
1.00
0.00

ATOM
198
HN
LEU
14
14.025
−1.723
1.877
1.00
0.00

ATOM
199
CA
LEU
14
13.914
−1.713
1.988
1.00
0.00

ATOM
200
HA
LEU
14
12.445
−0.764
2.212
1.00
0.00

ATOM
201
CB
LEU
14
12.939
−1.932
0.481
1.00
0.00

ATOM
202
HB1
LEU
14
12.218
−1.001
0.012
1.00
0.00

ATOM
203
HB2
LEU
14
12.702
−2.664
0.261
1.00
0.00

ATOM
204
CG
LEU
14
10.625
−2.407
−0.145
1.00
0.00

ATOM
205
HG
LEU
14
9.801
−1.900
0.333
1.00
0.00

ATOM
206
CD1
LEU
14
10.592
−2.066
−1.628
1.00
0.00

ATOM
207
HD11
LEU
14
11.506
−2.043
−2.095
1.00
0.00

ATOM
208
HD12
LEU
14
10.499
−0.997
−1.749
1.00
0.00

ATOM
209
HD13
LEU
14
9.749
−2.556
−2.091
1.00
0.00

ATOM
210
CD2
LEU
14
10.444
−3.902
0.064
1.00
0.00

ATOM
211
HD21
LEU
14
11.402
−4.354
0.275
1.00
0.00

ATOM
212
HD22
LEU
14
10.026
−4.348
−0.828
1.00
0.00

ATOM
213
HD23
LEU
14
9.777
−4.071
0.897
1.00
0.00

ATOM
214
C
LEU
14
11.121
−2.822
2.689
1.00
0.00

ATOM
215
O
LEU
14
10.019
−2.595
3.188
1.00
0.00

ATOM
216
N
TYR
15
11.697
−4.018
2.715
1.00
0.00

ATOM
217
HN
TYR
15
12.579
−4.131
2.303
1.00
0.00

ATOM
218
CA
TYR
15
11.063
−5.167
3.350
1.00
0.00

ATOM
219
HA
TYR
15
10.125
−5.357
2.843
1.00
0.00

ATOM
220
CB
TYR
15
11.964
−6.394
3.218
1.00
0.00

ATOM
221
HB1
TYR
15
12.163
−6.569
2.173
1.00
0.00

ATOM
222
HB2
TYR
15
12.896
−6.200
3.728
1.00
0.00

ATOM
223
CG
TYR
15
12.374
−7.659
3.798
1.00
0.00

ATOM
224
CD1
TYR
15
12.076
−8.808
4.734
1.00
0.00

ATOM
225
HD1
TYR
15
13.051
−8.070
5.053
1.00
0.00

ATOM
226
CD2
TYR
15
10.321
−8.111
3.402
1.00
0.00

ATOM
227
HD2
TYR
15
9.564
−7.543
2.671
1.00
0.00

ATOM
228
CE1
TYR
15
11.542
−9.565
5.268
1.00
0.00

ATOM
229
HE1
TYR
15
12.102
−10.132
5.998
1.00
0.00

ATOM
230
CE2
TYR
15
9.582
−9.269
3.921
1.00
0.00

ATOM
231
HE2
TYR
15
8.606
−9.604
3.610
1.00
0.00

ATOM
232
CZ
TYR
15
10.296
−9.993
4.860
1.00
0.00

ATOM
233
OH
TYR
15
9.761
−11.145
5.383
1.00
0.00

ATOM
234
HH
TYR
15
10.392
−11.863
5.295
1.00
0.00

ATOM
235
C
TYR
15
10.776
−4.888
4.821
1.00
0.00

ATOM
236
O
TYR
15
9.750
−5.307
5.358
1.00
0.00

ATOM
237
N
SER
16
11.694
−4.181
5.471
1.00
0.00

ATOM
238
HN
SER
16
12.487
−3.869
4.583
1.00
0.00

ATOM
239
CA
SER
16
11.535
−3.836
6.878
1.00
0.00

ATOM
240
HA
SER
16
11.318
−4.746
7.420
1.00
0.00

ATOM
241
CB
SER
16
12.824
−3.220
7.425
1.00
0.00

ATOM
242
HB1
SER
16
13.672
−3.768
7.042
1.00
0.00

ATOM
243
HB2
SER
16
12.889
−2.189
7.111
1.00
0.00

ATOM
244
CG
SER
16
12.852
−3.268
8.841
1.00
0.00

ATOM
245
HG
SER
16
13.743
−3.471
9.137
1.00
0.00

ATOM
246
C
SER
16
10.373
−2.867
7.061
1.00
0.00

ATOM
247
O
SER
16
9.748
−2.824
8.120
1.00
0.00

ATOM
248
N
THR
17
10.087
−2.096
6.017
1.00
0.00

ATOM
249
HN
THR
17
10.615
−2.189
5.195
1.00
0.00

ATOM
250
CA
THR
17
8.983
−1.146
6.049
1.00
0.00

ATOM
251
HA
THR
17
8.965
−0.685
7.025
1.00
0.00

ATOM
252
CB
THR
17
9.102
−0.961
4.982
1.00
0.00

ATOM
253
HB
THR
17
9.395
−8.537
4.037
1.00
0.00

ATOM
254
OG1
THR
17
10.278
0.771
5.316
1.00
0.00

ATOM
255
HG1
THR
17
10.098
1.223
6.144
1.00
0.00

ATOM
256
CG2
THR
17
7.971
0.832
4.783
1.00
0.00

ATOM
257
HG21
THR
17
7.078
0.224
4.720
1.00
0.00

ATOM
258
HG22
THR
17
8.088
1.395
3.867
1.00
0.00

ATOM
259
HG23
THR
17
7.883
1.513
5.616
1.00
0.00

ATOM
260
C
THR
17
7.662
−1.866
5.821
1.00
0.00

ATOM
261
O
THR
17
6.756
−1.792
6.646
1.00
0.00

ATOM
262
N
LEU
18
7.574
−2.569
4.697
1.00
0.00

ATOM
263
HN
LEU
18
8.339
−2.578
4.083
1.00
0.00

ATOM
264
CA
LEU
18
6.369
−3.302
4.330
1.00
0.00

ATOM
265
HA
LEU
18
5.555
−2.597
4.289
1.00
0.00

ATOM
266
CB
LEU
18
6.550
−3.928
2.955
1.00
0.00

ATOM
267
HB1
LEU
18
7.307
−4.694
1.026
1.00
0.00

ATOM
268
HB2
LEU
18
5.619
−4.389
2.661
1.00
0.00

ATOM
269
CG
LEU
18
6.964
−2.940
1.875
1.00
0.00

ATOM
270
HG
LEU
18
7.969
−2.603
2.075
1.00
0.00

ATOM
271
CD1
LEU
18
6.950
−3.607
0.510
1.00
0.00

ATOM
272
HD11
LEU
18
7.945
−3.943
0.274
1.00
0.00

ATOM
273
HD12
LEU
18
6.540
−2.894
−0.236
1.00
0.00

ATOM
274
HD13
LEU
18
6.270
−4.442
0.574
1.00
0.00

ATOM
275
CD2
LEU
18
6.048
−1.722
1.899
1.00
0.00

ATOM
276
HD21
LEU
18
3.138
−1.963
2.630
1.00
0.00

ATOM
277
HD22
LEU
18
5.811
−1.428
0.889
1.00
0.00

ATOM
278
HD23
LEU
18
6.549
−0.908
2.401
1.00
0.00

ATOM
279
C
LEU
18
6.037
−4.376
5.349
1.00
0.00

ATOM
280
O
LEU
18
4.961
−4.372
5.947
1.00
0.00

ATOM
281
N
LYS
19
6.956
−5.310
5.541
1.00
0.00

ATOM
282
HN
LYS
19
7.802
−5.262
5.048
1.00
0.00

ATOM
283
CA
LYS
19
6.753
−6.372
6.514
1.00
0.00

ATOM
284
HA
LYS
19
5.946
−6.995
6.158
1.00
0.00

ATOM
285
CB
LYS
19
8.029
−7.225
6.635
1.00
0.00

ATOM
286
HB1
LYS
19
8.522
−7.243
5.674
1.00
0.00

ATOM
287
HB2
LYS
19
7.748
−8.232
6.897
1.00
0.00

ATOM
288
CG
LYS
19
9.033
−6.730
7.669
1.00
0.00

ATOM
289
HG1
LYS
19
8.693
−7.018
8.653
1.00
0.00

ATOM
290
HG2
LYS
19
9.096
−5.653
7.608
1.00
0.00

ATOM
291
CD
LYS
19
10.412
−7.319
7.429
1.00
0.00

ATOM
292
HD1
LYS
19
10.559
−7.440
6.365
1.00
0.00

ATOM
293
HD2
LYS
19
11.156
−6.643
7.823
1.00
0.00

ATOM
294
CE
LYS
19
10.567
−8.671
8.106
1.00
0.00

ATOM
295
HE1
LYS
19
9.987
−9.401
7.560
1.00
0.00

ATOM
296
HE2
LYS
19
10.193
−8.598
9.117
1.00
0.00

ATOM
297
NZ
LYS
19
11.988
−9.115
8.146
1.00
0.00

ATOM
298
HZ1
LYS
19
12.044
−10.147
8.030
1.00
0.00

ATOM
299
HZ2
LYS
19
12.418
−8.855
9.057
1.00
0.00

ATOM
300
HZ3
LYS
19
12.526
−8.661
7.380
1.00
0.00

ATOM
301
C
LYS
19
6.349
−5.772
7.862
1.00
0.00

ATOM
302
O
LYS
19
5.624
−6.390
8.646
1.00
0.00

ATOM
303
N
SER
20
6.797
−4.542
8.108
1.00
0.00

ATOM
304
HN
SER
20
7.366
−4.092
7.419
1.00
0.00

ATOM
305
CA
SER
20
6.482
−3.841
9.336
1.00
0.00

ATOM
306
HA
SER
20
6.568
−4.551
10.141
1.00
0.00

ATOM
307
CB
SER
20
7.481
−2.708
9.581
1.00
0.00

ATOM
308
HB1
SER
20
7.667
−2.171
8.659
1.00
0.00

ATOM
309
HB2
SER
20
8.416
−3.123
9.929
1.00
0.00

ATOM
310
CG
SER
20
6.996
−1.801
10.556
1.00
0.00

ATOM
311
HG
SER
20
7.552
−1.841
11.337
1.00
0.00

ATOM
312
C
SER
20
5.070
−3.288
9.292
1.00
0.00

ATOM
313
O
SER
20
4.184
−3.752
10.016
1.00
0.00

ATOM
314
N
ILE
21
4.851
−2.311
8.423
1.00
0.00

ATOM
315
HN
ILE
21
5.590
−1.989
7.856
1.00
0.00

ATOM
316
CA
ILE
21
3.531
−1.717
8.268
1.00
0.00

ATOM
317
HA
ILE
21
3.312
−1.154
9.164
1.00
0.00

ATOM
318
CB
ILE
21
3.477
−0.752
7.069
1.00
0.00

ATOM
319
HB
ILE
21
2.442
−0.564
6.839
1.00
0.00

ATOM
320
CG1
ILE
21
4.155
−1.368
5.846
1.00
0.00

ATOM
321
HG11
ILE
21
4.819
−0.640
5.406
1.00
0.00

ATOM
322
HG12
ILE
21
4.723
−2.227
6.152
1.00
0.00

ATOM
323
CG2
ILE
21
6.130
0.573
7.427
1.00
0.00

ATOM
324
HG21
ILE
21
3.498
1.385
7.101
1.00
0.00

ATOM
325
HG22
ILE
21
5.089
0.644
6.935
1.00
0.00

ATOM
326
HG23
ILE
21
4.268
0.630
8.496
1.00
0.00

ATOM
327
CD1
ILE
21
3.185
−1.819
4.782
1.00
0.00

ATOM
328
HD11
ILE
21
2.645
−1.684
5.134
1.00
0.00

ATOM
329
HD12
ILE
21
3.729
−2.074
3.895
1.00
0.00

ATOM
330
HD13
ILE
21
2.489
−1.027
4.568
1.00
0.00

ATOM
331
C
ILE
21
2.472
−2.801
8.095
1.00
0.00

ATOM
332
O
ILE
21
2.487
−2.838
8.823
1.00
0.00

ATOM
333
N
LEU
22
2.710
−3.715
7.164
1.00
0.00

ATOM
334
HN
LEU
22
3.520
−3.646
6.622
1.00
0.00

ATOM
335
CA
LEU
22
1.785
−4.812
6.920
1.00
0.00

ATOM
336
HA
LEU
22
0.864
−4.390
6.544
1.00
0.00

ATOM
337
CB
LEU
22
2.361
−5.772
5.874
1.00
0.00

ATOM
338
HB1
LEU
22
1.785
−6.685
5.900
1.00
0.00

ATOM
339
HB2
LEU
22
3.379
−6.000
6.147
1.00
0.00

ATOM
340
CG
LEU
22
2.360
−5.245
4.439
1.00
0.00

ATOM
341
HG
LEU
22
3.054
−4.421
4.365
1.00
0.00

ATOM
342
CD1
LEU
22
2.815
−6.329
3.474
1.00
0.00

ATOM
343
HD11
LEU
22
2.102
−6.416
2.668
1.00
0.00

ATOM
344
HD12
LEU
22
2.885
−7.371
3.997
1.00
0.00

ATOM
345
HD13
LEU
22
3.783
−6.069
3.071
1.00
0.00

ATOM
346
CD2
LEU
22
0.980
−4.733
4.057
1.00
0.00

ATOM
347
HD21
LEU
22
0.926
−3.671
4.243
1.00
0.00

ATOM
348
HD22
LEU
22
0.234
−5.242
4.647
1.00
0.00

ATOM
349
HD23
LEU
22
0.803
−4.926
3.008
1.00
0.00

ATOM
350
C
LEU
22
1.493
−5.568
8.214
1.00
0.00

ATOM
351
O
LEU
22
0.340
−5.862
8.525
1.00
0.00

ATOM
352
N
GLN
23
2.546
−5.868
8.971
1.00
0.00

ATOM
353
HN
GLN
23
3.447
−5.617
8.666
1.00
0.00

ATOM
354
CA
GLN
23
2.402
−6.598
10.226
1.00
0.00

ATOM
355
HA
GLN
23
2.068
−7.596
9.989
1.00
0.00

ATOM
356
CB
GLN
23
3.754
−6.684
10.340
1.00
0.00

ATOM
357
HB1
GLN
23
3.588
−6.635
12.006
1.00
0.00

ATOM
358
HB2
GLN
23
4.360
−5.842
10.640
1.00
0.00

ATOM
359
CG
GLN
23
4.528
−7.958
10.637
1.00
0.00

ATOM
360
HG1
GLN
23
4.592
−8.082
9.566
1.00
0.00

ATOM
361
HG2
GLN
23
5.523
−7.865
11.048
1.00
0.00

ATOM
362
CD
GLN
23
3.875
−9.191
11.231
1.00
0.00

ATOM
363
OE1
GLN
23
3.304
−9.141
12.320
1.00
0.00

ATOM
364
NE2
GLN
23
3.958
−10.308
10.517
1.00
0.00

ATOM
365
HE21
GLN
23
3.545
−11.120
10.879
1.00
0.00

ATOM
366
HE22
GLN
23
4.429
−10.275
9.658
1.00
0.00

ATOM
367
C
GLN
23
1.374
−5.941
11.151
1.00
0.00

ATOM
368
O
GLN
23
0.462
−6.604
11.646
1.00
0.00

ATOM
369
N
GLN
24
1.542
−4.645
11.404
1.00
0.00

ATOM
370
HN
GLN
24
2.303
−4.175
11.002
1.00
0.00

ATOM
371
CA
GLN
24
0.659
−3.920
12.317
1.00
0.00

ATOM
372
HA
GLN
24
0.434
−4.580
13.142
1.00
0.00

ATOM
373
CB
GLN
24
1.369
−2.679
12.863
1.00
0.00

ATOM
374
HB1
GLN
24
2.330
−2.973
13.260
1.00
0.00

ATOM
375
HB2
GLN
24
0.774
−2.258
13.659
1.00
0.00

ATOM
376
CG
GLN
24
1.596
−1.602
11.817
1.00
0.00

ATOM
377
HG1
GLN
24
0.680
−1.044
11.689
1.00
0.00

ATOM
378
HG2
GLN
24
1.860
−2.077
10.885
1.00
0.00

ATOM
379
CD
GLN
24
2.702
−0.638
12.200
1.00
0.00

ATOM
380
OE1
GLN
24
3.210
−0.671
13.320
1.00
0.00

ATOM
381
NE2
GLN
24
3.082
0.227
11.266
1.00
0.00

ATOM
382
HE21
GLN
24
2.633
0.195
10.395
1.00
0.00

ATOM
383
HE22
GLN
24
3.795
0.862
11.486
1.00
0.00

ATOM
384
C
GLN
24
−0.658
−3.511
11.654
1.00
0.00

ATOM
385
O
GLN
24
−1.727
−3.682
12.237
1.00
0.00

ATOM
386
N
VAL
25
−0.577
−2.936
10.456
1.00
0.00

ATOM
387
HN
VAL
25
0.298
−2.811
10.047
1.00
0.00

ATOM
388
CA
VAL
25
−1.769
−2.477
9.743
1.00
0.00

ATOM
389
HA
VAL
25
−2.139
−1.597
10.251
1.00
0.00

ATOM
390
CB
VAL
25
−1.454
−2.085
8.285
1.00
0.00

ATOM
391
HB
VAL
25
−2.344
−1.670
7.845
1.00
0.00

ATOM
392
CG1
VAL
25
−0.364
−1.025
8.239
1.00
0.00

ATOM
393
HG11
VAL
25
−0.774
−0.102
7.858
1.00
0.00

ATOM
394
HG12
VAL
25
0.434
−1.358
7.591
1.00
0.00

ATOM
395
HG13
VAL
25
0.024
−0.863
9.234
1.00
0.00

ATOM
396
CG2
VAL
25
−1.061
−3.301
7.473
1.00
0.00

ATOM
397
HG21
VAL
25
−1.924
−3.934
7.330
1.00
0.00

ATOM
398
HG22
VAL
25
−0.295
−3.848
7.997
1.00
0.00

ATOM
399
HG23
VAL
25
−0.684
−2.982
6.511
1.00
0.00

ATOM
400
C
VAL
25
−2.865
−3.536
9.760
1.00
0.00

ATOM
401
O
VAL
25
−4.042
−3.213
9.907
1.00
0.00

ATOM
402
N
LYS
26
−2.478
−4.805
9.670
1.00
0.00

ATOM
403
HN
LYS
26
−1.525
−5.013
9.579
1.00
0.00

ATOM
404
CA
LYS
26
−3.448
−5.893
9.728
1.00
0.00

ATOM
405
HA
LYS
26
−4.076
−5.827
8.952
1.00
0.00

ATOM
406
CB
LYS
26
−2.739
−7.248
9.740
1.00
0.00

ATOM
407
HB1
LYS
26
−2.064
−7.280
10.582
1.00
0.00

ATOM
408
HB2
LYS
26
−1.479
−8.026
9.853
1.00
0.00

ATOM
409
CG
LYS
26
−1.940
−7.530
8.479
1.00
0.00

ATOM
410
HG1
LYS
26
−2.552
−8.102
7.797
1.00
0.00

ATOM
411
HG2
LYS
26
−1.665
−6.591
8.020
1.00
0.00

ATOM
412
CD
LYS
26
−0.679
−8.317
8.790
1.00
0.00

ATOM
413
HD1
LYS
26
−0.295
−7.995
9.747
1.00
0.00

ATOM
414
HD2
LYS
26
0.054
−8.123
8.020
1.00
0.00

ATOM
415
CE
LYS
26
−0.955
−9.811
8.844
1.00
0.00

ATOM
416
HE1
LYS
26
−0.358
−10.245
9.637
1.00
0.00

ATOM
417
HE2
LYS
26
−2.002
−9.962
9.062
1.00
0.00

ATOM
418
NZ
LYS
26
−0.625
−10.486
7.558
1.00
0.00

ATOM
419
HZ1
LYS
26
0.302
−10.951
7.627
1.00
0.00

ATOM
420
HZ2
LYS
26
−0.595
−9.790
6.787
1.00
0.00

ATOM
421
HZ3
LYS
26
−1.345
−11.203
7.336
1.00
0.00

ATOM
422
C
LYS
26
−4.319
−5.750
10.973
1.00
0.00

ATOM
423
O
LYS
26
−5.496
−6.105
10.969
1.00
0.00

ATOM
424
N
SER
27
−3.724
−5.203
12.029
1.00
0.00

ATOM
425
HN
SER
27
−2.783
−4.928
11.957
1.00
0.00

ATOM
426
CA
SER
27
−4.437
−4.970
13.281
1.00
0.00

ATOM
427
HA
SER
27
−5.407
−5.436
13.209
1.00
0.00

ATOM
428
CB
SER
27
−3.669
−5.585
14.452
1.00
0.00

ATOM
429
HB1
SER
27
−2.861
−4.927
14.735
1.00
0.00

ATOM
430
HB2
SER
27
−3.267
−4.542
14.152
1.00
0.00

ATOM
431
CG
SER
27
−4.514
−5.777
15.573
1.00
0.00

ATOM
432
HG
SER
27
−5.402
−5.986
15.273
1.00
0.00

ATOM
433
C
SER
27
−4.643
−3.481
13.519
1.00
0.00

ATOM
434
O
SER
27
−4.887
−3.052
14.646
1.00
0.00

ATOM
435
N
HIS
28
−4.516
−2.692
12.457
1.00
0.00

ATOM
436
HN
HIS
28
−4.367
−3.088
11.578
1.00
0.00

ATOM
437
CA
HIS
28
−4.753
−1.267
12.552
1.00
0.00

ATOM
438
HA
HIS
28
−4.393
−0.936
13.515
1.00
0.00

ATOM
439
CB
HIS
28
−4.006
−0.512
11.456
1.00
0.00

ATOM
440
HB1
HIS
28
−2.948
−0.628
11.622
1.00
0.00

ATOM
441
HB2
HIS
28
−4.266
−0.930
10.496
1.00
0.00

ATOM
442
CG
HIS
28
−4.292
0.956
11.417
1.00
0.00

ATOM
443
ND1
HIS
28
−4.264
1.759
12.538
1.00
0.00

ATOM
444
HD1
HIS
28
−4.083
1.459
13.454
1.00
0.00

ATOM
445
CD2
HIS
28
−4.569
1.777
10.377
1.00
0.00

ATOM
446
HD2
HIS
28
−4.665
1.487
9.340
1.00
0.00

ATOM
447
CE1
HIS
28
−4.533
3.006
12.191
1.00
0.00

ATOM
448
HE1
HIS
28
−4.507
3.852
12.859
1.00
0.00

ATOM
449
HE2
HIS
28
−4.719
3.042
10.886
1.00
0.00

ATOM
450
NZ2
HIS
28
−4.935
3.844
10.367
1.00
0.00

ATOM
451
C
HIS
28
−6.246
−1.009
12.480
1.00
0.00

ATOM
452
O
HIS
28
−6.982
−1.724
11.800
1.00
0.00

ATOM
453
N
GLN
29
−6.690
−0.037
13.241
1.00
0.00

ATOM
454
HN
GLN
29
−6.048
0.472
13.775
1.00
0.00

ATOM
455
CA
GLN
29
−8.109
0.272
13.334
1.00
0.00

ATOM
456
HA
GLN
29
−8.680
−0.668
13.358
1.00
0.00

ATOM
457
CB
GLN
29
−8.371
1.007
14.638
1.00
0.00

ATOM
458
HB1
GLN
29
−9.433
1.028
14.832
1.00
0.00

ATOM
459
HB2
GLN
29
−8.012
2.021
14.552
1.00
0.00

ATOM
460
CG
GLN
29
−7.670
0.341
15.809
1.00
0.00

ATOM
461
HG1
GLN
29
−7.180
−0.560
15.445
1.00
0.00

ATOM
462
HG2
GLN
29
−6.929
1.021
16.203
1.00
0.00

ATOM
463
CD
GLN
29
−8.622
−0.040
16.925
1.00
0.00

ATOM
464
OE1
GLN
29
−8.354
0.234
18.097
1.00
0.00

ATOM
465
NE2
GLN
29
−9.730
−0.676
16.566
1.00
0.00

ATOM
466
HE21
GLN
29
−9.870
−0.861
15.623
1.00
0.00

ATOM
467
HE22
GLN
29
−10.363
−0.935
17.267
1.00
0.00

ATOM
468
C
GLN
29
−8.607
1.069
12.132
1.00
0.00

ATOM
469
O
GLN
29
−9.794
1.378
12.034
1.00
0.00

ATOM
470
N
SER
30
−7.711
1.368
11.191
1.00
0.00

ATOM
471
HN
SER
30
−6.785
1.056
11.306
1.00
0.00

ATOM
472
CA
SER
30
−8.082
2.036
9.965
1.00
0.00

ATOM
473
HA
SER
30
−9.149
2.199
9.989
1.00
0.00

ATOM
474
CB
SER
30
−7.375
3.385
9.874
1.00
0.00

ATOM
475
HB1
SER
30
−6.453
3.269
9.324
1.00
0.00

ATOM
476
HB2
SER
30
−8.013
4.090
9.362
1.00
0.00

ATOM
477
CG
SER
30
−7.079
3.891
11.163
1.00
0.00

ATOM
478
HG
SER
30
−7.871
3.870
11.705
1.00
0.00

ATOM
479
C
SER
30
−7.743
1.184
8.740
1.00
0.00

ATOM
480
O
SER
30
−8.056
1.562
7.611
1.00
0.00

ATOM
481
N
ALA
31
−7.089
0.039
8.962
1.00
0.00

ATOM
482
HN
ALA
31
−6.867
−0.224
9.880
1.00
0.00

ATOM
483
CA
ALA
31
−6.726
−0.855
7.868
1.00
0.00

ATOM
484
HA
ALA
31
−6.413
−0.246
7.034
1.00
0.00

ATOM
485
CB
ALA
31
−5.553
−1.732
8.272
1.00
0.00

ATOM
486
HB1
ALA
31
−5.218
−2.301
7.417
1.00
0.00

ATOM
487
HB2
ALA
31
−5.865
−2.047
9.054
1.00
0.00

ATOM
488
HB3
ALA
31
−4.746
−1.321
8.629
1.00
0.00

ATOM
489
C
ALA
31
−7.906
−1.726
7.433
1.00
0.00

ATOM
490
O
ALA
31
−7.795
−2.496
6.480
1.00
0.00

ATOM
491
N
TRP
32
−9.060
−1.590
8.119
1.00
0.00

ATOM
492
HN
TRP
32
−9.072
−0.874
8.879
1.00
0.00

ATOM
493
CA
TRP
32
−10.222
−2.384
7.799
1.00
0.00

ATOM
494
HA
TRP
32
−9.960
−3.416
7.971
1.00
0.00

ATOM
495
CB
TRP
32
−11.389
−2.030
8.736
1.00
0.00

ATOM
496
HB1
TRP
32
−11.167
−2.390
9.730
1.00
0.00

ATOM
497
HB2
TRP
32
−12.289
−2.507
8.377
1.00
0.00

ATOM
498
CG
TRP
32
−11.644
−0.566
8.823
1.00
0.00

ATOM
499
CD1
TRP
32
−11.330
0.268
9.857
1.00
0.00

ATOM
500
HD1
TRP
32
−10.862
−0.052
10.776
1.00
0.00

ATOM
501
CD2
TRP
32
−12.255
0.241
7.823
1.00
0.00

ATOM
502
NE1
TRP
32
−11.699
1.554
9.549
1.00
0.00

ATOM
503
HE1
TRP
32
−11.582
2.325
10.128
1.00
0.00

ATOM
504
CE2
TRP
32
−12.259
1.564
8.298
1.00
0.00

ATOM
505
CE3
TRP
32
−12.759
−0.025
6.552
1.00
0.00

ATOM
506
HE3
TRP
32
−12.751
−1.026
6.146
1.00
0.00

ATOM
507
CZ2
TRP
32
−12.780
2.612
7.553
1.00
0.00

ATOM
508
HZ2
TRP
32
−12.798
3.627
7.923
1.00
0.00

ATOM
509
CZ3
TRP
32
−13.278
1.012
5.816
1.00
0.00

ATOM
510
HZ3
TRP
32
−13.671
0.827
4.829
1.00
0.00

ATOM
511
CH2
TRP
32
−13.284
2.314
6.317
1.00
0.00

ATOM
512
HH2
TRP
32
−13.669
3.090
5.697
1.00
0.00

ATOM
513
C
TRP
32
−10.647
−2.251
6.323
1.00
0.00

ATOM
514
O
TRP
32
−11.197
−3.202
5.769
1.00
0.00

ATOM
515
N
PRO
33
−10.400
−1.102
5.633
1.00
0.00

ATOM
516
CA
PRO
33
−10.776
−0.964
4.229
1.00
0.00

ATOM
517
HA
PRO
33
−11.746
−1.400
4.038
1.00
0.00

ATOM
518
CB
PRO
33
−10.842
0.530
3.996
1.00
0.00

ATOM
519
HB1
PRO
33
−10.273
0.798
3.113
1.00
0.00

ATOM
520
HB2
PRO
33
−11.870
0.844
3.852
1.00
0.00

ATOM
521
CG
PRO
33
−10.257
1.205
5.213
1.00
0.00

ATOM
522
HG1
PRO
33
−9.438
1.839
4.913
1.00
0.00

ATOM
523
HG2
PRO
33
−11.008
1.791
5.713
1.00
0.00

ATOM
524
CD
PRO
33
−9.749
0.125
6.125
1.00
0.00

ATOM
525
HD1
PRO
33
−8.693
0.063
6.031
1.00
0.00

ATOM
526
HD2
PRO
33
−10.014
0.330
7.146
1.00
0.00

ATOM
527
C
PRO
33
−9.748
−1.064
3.299
1.00
0.00

ATOM
528
O
PRO
33
−10.097
−2.161
2.259
1.00
0.00

ATOM
529
N
PHE
34
−8.481
−1.522
3.688
1.00
0.00

ATOM
530
HN
PHE
34
−8.271
−2.075
4.533
1.00
0.00

ATOM
531
CA
PHE
34
−7.393
−2.109
2.910
1.00
0.00

ATOM
532
HA
PHE
34
−7.546
−2.870
1.872
1.00
0.00

ATOM
533
CB
PHE
34
−6.043
−2.529
3.344
1.00
0.00

ATOM
534
HB1
PHE
34
−5.395
−1.497
2.686
1.00
0.00

ATOM
535
HB2
PHE
34
−5.608
−2.168
4.098
1.00
0.00

ATOM
536
CG
PHE
34
−5.120
−0.134
3.900
1.00
0.00

ATOM
537
CD1
PHE
34
−6.997
0.798
3.361
1.00
0.00

ATOM
538
HD1
PHE
34
−7.638
0.503
2.542
1.00
0.00

ATOM
539
CD2
PHE
34
−5.300
0.255
4.946
1.00
0.00

ATOM
540
HD2
PHE
34
−4.611
−0.459
5.373
1.00
0.00

ATOM
541
CE1
PHE
34
−7.069
2.077
3.868
1.00
0.00

ATOM
542
HE1
PHE
34
−7.761
2.789
3.443
1.00
0.00

ATOM
543
CE2
PHE
34
−5.368
1.536
5.459
1.00
0.00

ATOM
544
HE2
PHE
34
−4.728
1.824
6.279
1.00
0.00

ATOM
545
CZ
PHE
34
−6.252
2.450
4.917
1.00
0.00

ATOM
546
HZ
PHE
34
−6.304
3.453
5.314
1.00
0.00

ATOM
547
C
PHE
34
−7.400
−3.624
3.053
1.00
0.00

ATOM
548
O
PHE
34
−7.293
−4.349
2.065
1.00
0.00

ATOM
549
N
MET
35
−7.543
−4.100
4.215
1.00
0.00

ATOM
550
HN
MET
35
−7.635
−3.476
5.035
1.00
0.00

ATOM
551
CA
MET
35
−7.587
−5.534
4.541
1.00
0.00

ATOM
552
HA
MET
35
−6.624
−5.948
4.283
1.00
0.00

ATOM
553
CB
MET
35
−7.868
−5.802
6.021
1.00
0.00

ATOM
554
HB1
MET
35
−8.472
−4.998
6.413
1.00
0.00

ATOM
555
HB2
MET
35
−8.415
−6.729
6.110
1.00
0.00

ATOM
556
CG
MET
35
−6.609
−5.910
6.868
1.00
0.00

ATOM
557
HG1
MET
35
−5.714
−5.267
7.730
1.00
0.00

ATOM
558
HG2
MET
35
−5.766
−5.582
6.278
1.00
0.00

ATOM
559
SD
MET
35
−6.296
−7.591
7.437
1.00
0.00

ATOM
560
CE
MET
35
−4.848
−8.011
6.470
1.00
0.00

ATOM
561
HE1
MET
35
−4.248
−8.726
7.013
1.00
0.00

ATOM
562
HE2
MET
35
−4.268
−7.119
6.285
1.00
0.00

ATOM
563
HE3
MET
35
−5.157
−8.441
5.529
1.00
0.00

ATOM
564
C
MET
35
−8.656
−6.194
3.674
1.00
0.00

ATOM
565
O
MET
35
−9.847
−5.924
3.827
1.00
0.00

ATOM
566
N
GLU
36
−8.219
−7.049
2.751
1.00
0.00

ATOM
567
HN
GLU
36
−7.255
−7.208
2.671
1.00
0.00

ATOM
568
CA
GLU
36
−9.128
−7.729
1.829
1.00
0.00

ATOM
569
HA
GLU
36
−8.598
−8.569
1.409
1.00
0.00

ATOM
570
CB
GLU
36
−10.371
−8.248
2.562
1.00
0.00

ATOM
571
HB1
GLU
36
−11.151
−7.504
2.496
1.00
0.00

ATOM
572
HB2
GLU
36
−10.122
−8.406
3.601
1.00
0.00

ATOM
573
CG
GLU
36
−10.907
−9.553
1.996
1.00
0.00

ATOM
574
HG1
GLU
36
−10.073
−10.192
1.748
1.00
0.00

ATOM
575
HG2
GLU
36
−11.473
−9.338
1.102
1.00
0.00

ATOM
576
CD
GLU
36
−11.806
−10.289
2.972
1.00
0.00

ATOM
577
OE1
GLU
36
−11.522
−11.469
3.266
1.00
0.00

ATOM
578
OE2
GLU
36
−12.794
−9.685
3.440
1.00
0.00

ATOM
579
C
GLU
36
−9.543
−6.792
0.696
1.00
0.00

ATOM
580
O
GLU
36
−10.414
−5.539
0.873
1.00
0.00

ATOM
581
N
PRO
37
−8.913
−6.929
−0.486
1.00
0.00

ATOM
582
CA
PRO
37
−9.200
−6.075
−1.644
1.00
0.00

ATOM
583
HA
PRO
37
−9.135
−5.029
−1.386
1.00
0.00

ATOM
584
CB
PRO
37
−8.087
−6.425
−2.646
1.00
0.00

ATOM
585
HB1
PRO
37
−7.650
−5.515
−3.031
1.00
0.00

ATOM
586
HB2
PRO
37
−8.504
−6.999
−3.451
1.00
0.00

ATOM
587
CG
PRO
37
−7.087
−7.224
−1.876
1.00
0.00

ATOM
588
HG1
PRO
37
−6.627
−7.957
−2.522
1.00
0.00

ATOM
589
HG2
PRO
37
−6.338
−6.570
−1.455
1.00
0.00

ATOM
590
CD
PRO
37
−7.857
−7.904
−0.784
1.00
0.00

ATOM
591
HD1
PRO
37
−7.229
−8.071
0.077
1.00
0.00

ATOM
592
HD2
PRO
37
−8.276
−8.834
−1.137
1.00
0.00

ATOM
593
C
PRO
37
−10.569
−6.357
−2.254
1.00
0.00

ATOM
594
O
PRO
37
−11.467
−6.866
−1.586
1.00
0.00

ATOM
595
N
VAL
38
−10.720
−6.015
−3.531
1.00
0.00

ATOM
596
HN
VAL
38
−9.967
−5.610
−4.008
1.00
0.00

ATOM
597
CA
VAL
38
−11.979
−6.221
−4.237
1.00
0.00

ATOM
598
HA
VAL
38
−12.777
−5.045
−3.614
1.00
0.00

ATOM
599
CB
VAL
38
−12.006
−5.450
−5.571
1.00
0.00

ATOM
600
HB
VAL
38
−11.238
−5.856
−6.213
1.00
0.00

ATOM
601
CG1
VAL
38
−11.704
−3.977
−5.342
1.00
0.00

ATOM
602
HG11
VAL
38
−12.002
−3.410
−6.212
1.00
0.00

ATOM
603
HG12
VAL
38
−10.685
−3.848
−5.174
1.00
0.00

ATOM
604
HG13
VAL
38
−12.250
−3.628
−4.479
1.00
0.00

ATOM
605
CG2
VAL
38
−13.347
−5.625
−6.266
1.00
0.00

ATOM
606
HG21
VAL
38
−13.431
−6.636
−6.639
1.00
0.00

ATOM
607
HG22
VAL
38
−13.419
−4.931
−7.090
1.00
0.00

ATOM
608
HG23
VAL
38
−14.145
−5.434
−5.563
1.00
0.00

ATOM
609
C
VAL
38
−12.222
−7.700
−4.513
1.00
0.00

ATOM
610
O
VAL
38
−11.283
−5.508
−4.492
1.00
0.00

ATOM
611
N
LYS
39
−13.477
−8.047
−4.775
1.00
0.00

ATOM
612
HN
LYS
39
−14.173
−7.357
−4.773
1.00
0.00

ATOM
613
CA
LYS
39
−13.850
−9.431
−5.053
1.00
0.00

ATOM
614
HA
LYS
39
−12.960
−10.036
−4.968
1.00
0.00

ATOM
615
CB
LYS
39
−14.898
−9.939
−4.087
1.00
0.00

ATOM
616
HB1
LYS
39
−15.855
−9.996
−4.546
1.00
0.00

ATOM
617
HB2
LYS
39
−14.615
−10.931
−3.727
1.00
0.00

ATOM
618
CG
LYS
39
−15.065
−9.072
−2.804
1.00
0.00

ATOM
619
HG1
LYS
39
−14.989
−8.023
−3.086
1.00
0.00

ATOM
620
HG2
LYS
39
−14.283
−9.315
−2.099
1.00
0.00

ATOM
621
CD
LYS
39
−16.414
−9.301
−2.144
1.00
0.00

ATOM
622
HD1
LYS
39
−17.168
−8.758
−2.693
1.00
0.00

ATOM
623
HD2
LYS
39
−16.640
−10.357
−2.164
1.00
0.00

ATOM
624
CE
LYS
39
−16.415
−8.824
−0.701
1.00
0.00

ATOM
625
HE1
LYS
39
−16.995
−9.516
−0.107
1.00
0.00

ATOM
626
HE2
LYS
39
−15.398
−8.806
−0.340
1.00
0.00

ATOM
627
NZ
LYS
39
−17.002
−7.462
−0.567
1.00
0.00

ATOM
628
HZ1
LYS
39
−17.552
−7.225
−1.417
1.00
0.00

ATOM
629
HZ2
LYS
39
−16.246
−6.758
−0.448
1.00
0.00

ATOM
630
HZ3
LYS
39
−17.630
−7.423
0.261
1.00
0.00

ATOM
631
C
LYS
39
−14.399
−9.563
−6.469
1.00
0.00

ATOM
632
O
LYS
39
−13.886
−10.337
−7.278
1.00
0.00

ATOM
633
N
ARG
40
−15.448
−8.801
−6.759
1.00
0.00

ATOM
634
HN
ARG
40
−15.810
−8.206
−6.070
1.00
0.00

ATOM
635
CA
ARG
40
−16.078
−8.326
−8.074
1.00
0.00

ATOM
636
HA
ARG
40
−15.147
−8.504
−8.800
1.00
0.00

ATOM
637
CB
ARG
40
−16.534
−10.246
−8.417
1.00
0.00

ATOM
638
HB1
ARG
40
−15.676
−10.822
−8.729
1.00
0.00

ATOM
639
HB2
ARG
40
−17.260
−10.197
−9.234
1.00
0.00

ATOM
640
CG
ARG
40
−17.198
−10.968
−7.256
1.00
0.00

ATOM
641
HG1
ARG
40
−18.190
−10.585
−7.115
1.00
0.00

ATOM
642
HG2
ARG
40
−16.612
−10.809
−6.363
1.00
0.00

ATOM
643
CD
ARG
40
−17.305
−12.462
−7.516
1.00
0.00

ATOM
644
HD1
ARG
40
−16.418
−12.788
−8.038
1.00
0.00

ATOM
645
HD2
ARG
40
−18.173
−12.645
−8.133
1.00
0.00

ATOM
646
NE
ARG
40
−17.434
−13.225
−6.277
1.00
0.00

ATOM
647
HE
ARG
40
−17.683
−12.735
−5.466
1.00
0.00

ATOM
648
CZ
ARG
40
−17.235
−14.537
−6.197
1.00
0.00

ATOM
649
NH1
ARG
40
−16.898
−15.225
−7.279
1.00
0.00

ATOM
650
HH11
ARG
40
−16.794
−14.758
−8.157
1.00
0.00

ATOM
651
HH12
ARG
40
−16.748
−16.212
−7.237
1.00
0.00

ATOM
652
NH2
ARG
40
−17.371
−15.160
−5.034
1.00
0.00

ATOM
653
HH21
ARG
40
−17.624
−14.644
−4.216
1.00
0.00

ATOM
654
HH22
ARG
40
−17.220
−16.147
−4.976
1.00
0.00

ATOM
655
C
ARG
40
−17.268
−7.874
−8.116
1.00
0.00

ATOM
656
O
ARG
40
−17.442
−7.122
−9.074
1.00
0.00

ATOM
657
N
THR
41
−18.081
−7.910
−7.065
1.00
0.00

ATOM
658
HN
THR
41
−17.886
−8.530
−6.332
1.00
0.00

ATOM
659
CA
THR
41
−19.252
−7.047
−6.971
1.00
0.00

ATOM
660
HA
THR
41
−19.528
−6.751
−7.973
1.00
0.00

ATOM
661
CB
THR
41
−20.418
−7.806
−6.335
1.00
0.00

ATOM
662
HB
THR
41
−20.623
−8.689
−6.922
1.00
0.00

ATOM
663
OG1
THR
41
−21.586
−7.003
−6.313
1.00
0.00

ATOM
664
HG1
THR
41
−21.499
−6.331
−5.634
1.00
0.00

ATOM
665
CG2
THR
41
−20.139
−8.252
−4.916
1.00
0.00

ATOM
666
HG21
THR
41
−19.793
−7.409
−4.335
1.00
0.00

ATOM
667
HG22
THR
41
−19.381
−9.020
−4.923
1.00
0.00

ATOM
668
HG23
THR
41
−21.045
−9.644
−4.477
1.00
0.00

ATOM
669
C
THR
41
−18.940
−5.797
−6.155
1.00
0.00

ATOM
670
O
THR
41
−19.562
−4.751
−6.338
1.00
0.00

ATOM
671
N
GLU
42
−17.969
−5.915
−5.254
1.00
0.00

ATOM
672
HN
GLU
42
−17.511
−6.776
−5.156
1.00
0.00

ATOM
673
CA
GLU
42
−17.570
−4.797
−4.408
1.00
0.00

ATOM
674
HA
GLU
42
−18.437
−4.480
−3.847
1.00
0.00

ATOM
675
CB
GLU
42
−16.478
−5.238
−3.432
1.00
0.00

ATOM
676
HB1
GLU
42
−15.513
−5.015
−3.864
1.00
0.00

ATOM
677
HB2
GLU
42
−16.554
−6.304
−3.279
1.00
0.00

ATOM
678
CG
GLU
42
−16.561
−4.554
−2.076
1.00
0.00

ATOM
679
HG1
GLU
42
−17.313
−5.054
−1.482
1.00
0.00

ATOM
680
HG2
GLU
42
−16.845
−3.524
−2.224
1.00
0.00

ATOM
681
CD
GLU
42
−15.246
−6.592
−1.323
1.00
0.00

ATOM
682
OE1
GLU
42
−14.293
−3.913
−1.760
1.00
0.00

ATOM
683
OE2
GLU
42
−15.169
−5.300
−0.297
1.00
0.00

ATOM
684
C
GLU
42
−17.072
−3.624
−5.249
1.00
0.00

ATOM
685
O
GLU
42
−17.374
−2.468
−4.959
1.00
0.00

ATOM
686
N
ALA
43
−16.304
−3.935
−6.288
1.00
0.00

ATOM
687
HN
ALA
43
−16.098
−4.877
−6.467
1.00
0.00

ATOM
688
CA
ALA
43
−15.762
−2.908
−7.171
1.00
0.00

ATOM
689
HA
ALA
43
−16.392
−2.035
−7.091
1.00
0.00

ATOM
690
CB
ALA
43
−14.359
−2.518
−6.730
1.00
0.00

ATOM
691
HB1
ALA
43
−14.122
−3.016
−5.801
1.00
0.00

ATOM
692
HB2
ALA
43
−14.310
−1.449
−6.587
1.00
0.00

ATOM
693
HB3
ALA
43
−13.648
−2.913
−7.487
1.00
0.00

ATOM
694
C
ALA
43
−15.753
−3.381
−8.623
1.00
0.00

ATOM
695
O
ALA
43
−14.707
−3.745
−9.159
1.00
0.00

ATOM
696
N
PRO
44
−16.925
−3.378
−9.280
1.00
0.00

ATOM
697
CA
PRO
44
−17.051
−3.815
−10.673
1.00
0.00

ATOM
698
HA
PRO
44
−16.545
−4.754
−10.841
1.00
0.00

ATOM
699
CB
PRO
44
−18.558
−4.006
−10.840
1.00
0.00

ATOM
700
HB1
PRO
44
−18.862
−3.787
−11.859
1.00
0.00

ATOM
701
HB2
PRO
44
−18.824
−5.024
−10.597
1.00
0.00

ATOM
702
CD
PRO
44
−19.165
−3.039
−9.884
1.00
0.00

ATOM
703
HD1
PRO
44
−19.259
−2.070
−10.352
1.00
0.00

ATOM
704
HD2
PRO
44
−20.133
−3.397
−9.564
1.00
0.00

ATOM
705
CD
PRO
44
−18.224
−2.963
−8.711
1.00
0.00

ATOM
706
HD1
PRO
44
−18.173
−1.953
−8.334
1.00
0.00

ATOM
707
HD2
PRO
44
−18.537
−3.642
−7.932
1.00
0.00

ATOM
708
C
PRO
44
−16.532
−2.775
−11.662
1.00
0.00

ATOM
709
O
PRO
44
−16.263
−3.090
−12.821
1.00
0.00

ATOM
710
N
GLY
45
−16.394
−1.536
−11.200
1.00
0.00

ATOM
711
HN
GLY
45
−16.627
−1.340
−10.268
1.00
0.00

ATOM
712
CA
GLY
45
−15.915
−0.473
−12.064
1.00
0.00

ATOM
713
HA1
GLY
45
−15.960
−0.810
−13.089
1.00
0.00

ATOM
714
HA2
GLY
45
−16.560
0.385
−11.950
1.00
0.00

ATOM
715
C
GLY
45
−14.491
−0.059
−11.747
1.00
0.00

ATOM
716
O
GLY
45
−14.134
1.111
−11.883
1.00
0.00

ATOM
717
N
TYR
46
−13.676
−1.020
−11.327
1.00
0.00

ATOM
718
HN
TYR
46
−14.019
−1.934
−11.241
1.00
0.00

ATOM
719
CA
TYR
46
−12.282
−0.748
−10.995
1.00
0.00

ATOM
720
HA
TYR
46
−12.343
0.205
−10.488
1.00
0.00

ATOM
721
CB
TYR
46
−11.739
−1.832
−10.062
1.00
0.00

ATOM
722
HB1
TYR
46
−10.765
−2.142
−10.411
1.00
0.00

ATOM
723
HB2
TYR
46
−12.408
−2.680
−10.078
1.00
0.00

ATOM
724
CG
TYR
46
−11.585
−1.382
−8.625
1.00
0.00

ATOM
725
CD1
TYR
46
−10.623
−1.931
−7.799
1.00
0.00

ATOM
726
HD1
TYR
46
−9.964
−2.690
−8.196
1.00
0.00

ATOM
727
CD2
TYR
46
−12.432
−0.408
−8.095
1.00
0.00

ATOM
728
HD2
TYR
46
−13.194
0.029
−8.724
1.00
0.00

ATOM
729
CE1
TYR
46
−10.487
−1.522
−6.486
1.00
0.00

ATOM
730
HE1
TYR
46
−9.725
−1.960
−5.859
1.00
0.00

ATOM
731
CE2
TYR
46
−12.303
0.007
−6.783
1.00
0.00

ATOM
732
HE2
TYR
46
−12.964
0.766
−6.389
1.00
0.00

ATOM
733
CZ
TYR
46
−11.330
−0.553
−5.983
1.00
0.00

ATOM
734
OH
TYR
46
−11.199
−0.143
−4.676
1.00
0.00

ATOM
735
HH
TYR
46
−10.892
−0.877
−4.139
1.00
0.00

ATOM
736
C
TYR
46
−11.427
−0.671
−12.256
1.00
0.00

ATOM
737
O
TYR
46
−11.940
−0.764
−13.371
1.00
0.00

ATOM
738
N
TYR
47
−10.120
−0.506
−12.072
1.00
0.00

ATOM
739
HN
TYR
47
−9.772
−0.440
−11.159
1.00
0.00

ATOM
740
CA
TYR
47
−9.189
−0.421
−13.195
1.00
0.00

ATOM
741
HA
TYR
47
−8.188
−0.506
−12.800
1.00
0.00

ATOM
742
CB
TYR
47
−9.433
−1.567
−14.181
1.00
0.00

ATOM
743
HB1
TYR
47
−10.224
−1.285
−14.860
1.00
0.00

ATOM
744
HB2
TYR
47
−8.529
−1.748
−14.743
1.00
0.00

ATOM
745
CG
TYR
47
−9.833
−2.862
−13.514
1.00
0.00

ATOM
746
CD1
TYR
47
−10.758
−3.715
−14.105
1.00
0.00

ATOM
747
HD1
TYR
47
−11.188
−3.443
−15.057
1.00
0.00

ATOM
748
CD2
TYR
47
−9.290
−3.229
−12.290
1.00
0.00

ATOM
749
HD2
TYR
47
−8.572
−2.574
−11.810
1.00
0.00

ATOM
750
CE1
TYR
47
−11.124
−4.899
−13.496
1.00
0.00

ATOM
751
HE1
TYR
47
−11.843
−5.550
−13.971
1.00
0.00

ATOM
752
CE2
TYR
47
−9.653
−4.411
−11.674
1.00
0.00

ATOM
753
HE2
TYR
47
−9.219
−4.679
−10.722
1.00
0.00

ATOM
754
CZ
TYR
47
−10.570
−5.242
−12.280
1.00
0.00

ATOM
755
OH
TYR
47
−10.934
−6.621
−11.671
1.00
0.00

ATOM
756
HH
TYR
47
−10.153
−6.958
−11.519
1.00
0.00

ATOM
757
C
TYR
47
−9.318
0.917
−13.916
1.00
0.00

ATOM
758
O
TYR
47
−8.360
1.686
−13.992
1.00
0.00

ATOM
759
N
GLU
48
−10.504
1.184
−14.451
1.00
0.00

ATOM
760
HN
GLU
48
−11.227
0.529
−14.362
1.00
0.00

ATOM
761
CA
GLU
48
−10.754
2.425
−15.175
1.00
0.00

ATOM
762
HA
GLU
48
−10.103
2.441
−16.037
1.00
0.00

ATOM
763
CB
GLU
48
−12.209
2.478
−15.618
1.00
0.00

ATOM
764
HB1
GLU
48
−12.854
2.529
−14.784
1.00
0.00

ATOM
765
HB2
GLU
48
−12.349
3.368
−16.214
1.00
0.00

ATOM
766
CG
GLU
48
−12.621
1.276
−16.482
1.00
0.00

ATOM
767
HG1
GLU
48
−12.135
1.337
−17.444
1.00
0.00

ATOM
768
HG2
GLU
48
−12.304
0.376
−15.976
1.00
0.00

ATOM
769
CD
GLU
48
−14.120
1.208
−16.702
1.00
0.00

ATOM
770
OE1
GLU
48
−14.858
1.919
−15.994
1.00
0.00

ATOM
771
OE2
GLU
48
−14.554
0.433
−17.584
1.00
0.00

ATOM
772
C
GLU
48
−10.445
3.639
−14.306
1.00
0.00

ATOM
773
O
GLU
48
−10.136
4.716
−14.815
1.00
0.00

ATOM
774
N
VAL
49
−10.529
3.459
−12.992
1.00
0.00

ATOM
775
HN
VAL
49
−10.781
2.578
−12.684
1.00
0.00

ATOM
776
CA
VAL
49
−10.261
4.545
−12.055
1.00
0.00

ATOM
777
HA
VAL
49
−9.905
5.392
−12.624
1.00
0.00

ATOM
778
CB
VAL
49
−11.542
4.971
−11.313
1.00
0.00

ATOM
779
HB
VAL
49
−12.308
5.171
−12.047
1.00
0.00

ATOM
780
CG1
VAL
49
−12.033
3.853
−10.407
1.00
0.00

ATOM
781
HG11
VAL
49
−11.630
3.991
−9.414
1.00
0.00

ATOM
782
HG12
VAL
49
−11.705
2.901
−10.799
1.00
0.00

ATOM
783
HG13
VAL
49
−13.112
3.872
−10.364
1.00
0.00

ATOM
784
CG2
VAL
49
−11.301
6.246
−10.518
1.00
0.00

ATOM
785
HG21
VAL
49
−10.706
6.020
−9.646
1.00
0.00

ATOM
786
HG22
VAL
49
−12.249
6.661
−10.209
1.00
0.00

ATOM
787
HG23
VAL
49
−10.779
6.963
−11.135
1.00
0.00

ATOM
788
C
VAL
49
−9.195
4.160
−11.026
1.00
0.00

ATOM
789
O
VAL
49
−8.861
4.956
−10.148
1.00
0.00

ATOM
790
N
ILE
50
−8.665
2.941
−11.130
1.00
0.00

ATOM
791
HN
ILE
50
−8.958
2.347
−11.847
1.00
0.00

ATOM
792
CA
ILE
50
−7.644
2.474
−10.204
1.00
0.00

ATOM
793
HA
ILE
50
−7.342
3.309
−9.589
1.00
0.00

ATOM
794
CB
ILE
50
−8.102
1.365
−9.282
1.00
0.00

ATOM
795
HB
ILE
50
−8.267
0.458
−9.861
1.00
0.00

ATOM
796
CG1
ILE
50
−9.559
1.747
−8.737
1.00
0.00

ATOM
797
HG11
ILE
50
−10.222
1.952
−9.564
1.00
0.00

ATOM
798
HG12
ILE
50
−9.952
0.921
−8.162
1.00
0.00

ATOM
799
CG2
ILE
50
−7.210
1.105
−8.142
1.00
0.00

ATOM
800
HG21
ILE
50
−6.248
1.528
−8.387
1.00
0.00

ATOM
801
HG22
ILE
50
−7.108
0.041
−7.991
1.00
0.00

ATOM
802
HG23
ILE
50
−7.586
1.561
−7.238
1.00
0.00

ATOM
803
CD1
ILE
50
−9.540
2.967
−7.847
1.00
0.00

ATOM
804
HD11
ILE
50
−9.670
3.855
−8.443
1.00
0.00

ATOM
805
HD12
ILE
50
−8.593
3.019
−7.325
1.00
0.00

ATOM
806
HD13
ILE
50
−10.341
2.898
−7.123
1.00
0.00

ATOM
807
C
ILE
50
−6.428
1.945
−10.953
1.00
0.00

ATOM
808
O
ILE
50
−6.557
1.228
−11.945
1.00
0.00

ATOM
809
N
ARG
51
−5.248
2.301
−10.466
1.00
0.00

ATOM
810
HN
ARG
51
−5.216
2.877
−9.676
1.00
0.00

ATOM
811
CA
ARG
51
−4.000
1.873
−11.085
1.00
0.00

ATOM
812
HA
ARG
51
−4.014
2.198
−12.114
1.00
0.00

ATOM
813
CB
ARG
51
−2.811
2.519
−10.373
1.00
0.00

ATOM
814
HB1
ARG
51
−3.181
3.123
−9.557
1.00
0.00

ATOM
815
HB2
ARG
51
−2.177
1.740
−9.975
1.00
0.00

ATOM
816
CG
ARG
51
−1.967
3.403
−11.277
1.00
0.00

ATOM
817
HG1
ARG
51
−2.041
3.037
−12.291
1.00
0.00

ATOM
818
HG2
ARG
51
−0.939
3.358
−10.960
1.00
0.00

ATOM
819
CD
ARG
51
−2.433
4.849
−11.240
1.00
0.00

ATOM
820
HD1
ARG
51
−2.996
5.010
−10.332
1.00
0.00

ATOM
821
HD2
ARG
51
−1.566
5.493
−11.244
1.00
0.00

ATOM
822
NE
ARG
51
−3.275
5.184
−12.385
1.00
0.00

ATOM
823
HE
ARG
51
−4.217
5.390
−12.212
1.00
0.00

ATOM
824
CZ
ARG
51
−2.832
5.226
−13.638
1.00
0.00

ATOM
825
NH1
ARG
51
−1.562
4.953
−13.904
1.00
0.00

ATOM
826
HH11
ARG
51
−1.231
4.984
−14.846
1.00
0.00

ATOM
827
HH12
ARG
51
−0.936
4.716
−13.161
1.00
0.00

ATOM
828
NH2
ARG
51
−3.659
5.539
−14.626
1.00
0.00

ATOM
829
HH21
ARG
51
−3.323
5.569
−15.568
1.00
0.00

ATOM
830
HH22
ARG
51
−4.617
5.746
−14.430
1.00
0.00

ATOM
831
C
ARG
51
−3.864
0.354
−11.056
1.00
0.00

ATOM
832
O
ARG
51
−4.094
−0.319
−12.061
1.00
0.00

ATOM
833
N
SER
52
−3.479
−0.182
−9.901
1.00
0.00

ATOM
834
HN
SER
52
−3.310
0.401
−9.134
1.00
0.00

ATOM
835
CA
SER
52
−3.307
−1.622
−9.751
1.00
0.00

ATOM
836
HA
SER
52
−3.766
−2.101
−10.603
1.00
0.00

ATOM
837
CB
SER
52
−1.820
−1.980
−9.715
1.00
0.00

ATOM
838
HB1
SER
52
−1.690
−3.005
−10.027
1.00
0.00

ATOM
839
HB2
SER
52
−1.447
−1.860
−8.708
1.00
0.00

ATOM
840
OG
SER
52
−1.072
−1.143
−10.580
1.00
0.00

ATOM
841
HG
SER
52
−0.287
−1.608
−10.877
1.00
0.00

ATOM
842
C
SER
52
−3.993
−2.128
−8.488
1.00
0.00

ATOM
843
O
SER
52
−3.353
−2.308
−7.452
1.00
0.00

ATOM
844
N
PRO
53
−3.310
−2.378
−8.565
1.00
0.00

ATOM
845
CA
PRO
53
−6.087
−2.882
−7.435
1.00
0.00

ATOM
846
HA
PRO
53
−6.390
−2.083
−6.773
1.00
0.00

ATOM
847
CB
PRO
53
−7.313
−3.484
−8.111
1.00
0.00

ATOM
848
HB1
PRO
53
−8.160
−3.615
−7.450
1.00
0.00

ATOM
849
HB2
PRO
53
−7.122
−4.519
−8.355
1.00
0.00

ATOM
850
CG
PRO
53
−7.512
−2.661
−9.337
1.00
0.00

ATOM
851
HG1
PRO
53
−7.963
−3.263
−10.110
1.00
0.00

ATOM
852
HG2
PRO
53
−8.139
−1.812
−9.109
1.00
0.00

ATOM
853
CD
PRO
53
−6.145
−2.197
−9.770
1.00
0.00

ATOM
854
HD1
PRO
53
−5.780
−2.805
−10.584
1.00
0.00

ATOM
855
HD2
PRO
53
−6.176
−1.257
−10.060
1.00
0.00

ATOM
856
C
PRO
53
−5.340
−3.947
−6.639
1.00
0.00

ATOM
857
O
PRO
53
−5.425
−5.137
−6.943
1.00
0.00

ATOM
858
N
MET
54
−4.609
−3.512
−5.619
1.00
0.00

ATOM
859
HN
MET
54
−4.581
−2.552
−5.426
1.00
0.00

ATOM
860
CA
MET
54
−3.850
−4.428
−4.777
1.00
0.00

ATOM
861
HA
MET
54
−4.303
−5.405
−4.859
1.00
0.00

ATOM
862
CB
MET
54
−2.398
−4.508
−5.253
1.00
0.00

ATOM
863
HB1
MET
54
−2.390
−4.624
−6.327
1.00
0.00

ATOM
864
HB2
MET
54
−1.897
−3.587
−4.995
1.00
0.00

ATOM
865
CG
MET
54
−1.615
−5.660
−4.644
1.00
0.00

ATOM
866
HG1
MET
54
−1.472
−5.464
−3.592
1.00
0.00

ATOM
867
HG2
MET
54
−0.653
−5.720
−5.132
1.00
0.00

ATOM
868
SD
MET
54
−2.452
−7.247
−4.826
1.00
0.00

ATOM
869
CE
MET
54
−3.383
−7.311
−3.298
1.00
0.00

ATOM
870
HE1
MET
54
−2.905
−7.997
−2.612
1.00
0.00

ATOM
871
HE2
MET
54
−4.388
−7.650
−3.501
1.00
0.00

ATOM
872
HE3
MET
54
−3.418
−6.327
−2.857
1.00
0.00

ATOM
873
C
MET
54
−3.897
−3.984
−3.320
1.00
0.00

ATOM
874
O
MET
54
−2.937
−3.415
−2.802
1.00
0.00

ATOM
875
N
ASP
55
−5.026
−4.240
−2.667
1.00
0.00

ATOM
876
HN
ASP
55
−5.755
−4.699
−3.134
1.00
0.00

ATOM
877
CA
ASP
55
−5.201
−3.870
−1.269
1.00
0.00

ATOM
878
HA
ASP
55
−4.803
−2.874
−1.139
1.00
0.00

ATOM
879
CB
ASP
55
−6.690
−3.863
−0.906
1.00
0.00

ATOM
880
HB1
ASP
55
−6.811
−3.495
0.102
1.00
0.00

ATOM
881
HB2
ASP
55
−7.075
−3.860
−0.964
1.00
0.00

ATOM
882
CG
ASP
55
−7.506
−2.985
−1.835
1.00
0.00

ATOM
883
OD1
ASP
55
−7.575
−3.302
−2.041
1.00
0.00

ATOM
884
OD2
ASP
55
−8.074
−1.981
−1.357
1.00
0.00

ATOM
885
C
ASP
55
−4.435
−4.826
−0.360
1.00
0.00

ATOM
886
O
ASP
55
−3.570
−5.580
−0.819
1.00
0.00

ATOM
887
N
LEU
56
−4.739
−4.786
0.931
1.00
0.00

ATOM
888
HN
LEU
56
−5.426
−4.263
1.242
1.00
0.00

ATOM
889
CA
LEU
56
−4.069
−5.644
1.898
1.00
0.00

ATOM
890
HA
LEU
56
−3.012
−5.620
1.683
1.00
0.00

ATOM
891
CB
LEU
56
−4.305
−5.115
3.318
1.00
0.00

ATOM
892
HB1
LEU
56
−4.223
−5.919
4.008
1.00
0.00

ATOM
893
HB2
LEU
56
−5.306
−4.729
3.371
1.00
0.00

ATOM
894
CG
LEU
56
−3.343
−4.015
3.770
1.00
0.00

ATOM
895
HG
LEU
56
−3.605
−3.702
4.770
1.00
0.00

ATOM
896
CD1
LEU
56
−3.425
−2.802
2.859
1.00
0.00

ATOM
897
HD11
LEU
56
−3.644
−1.924
3.449
1.00
0.00

ATOM
898
HD12
LEU
56
−4.204
2.950
2.132
1.00
0.00

ATOM
899
HD13
LEU
56
−2.481
−2.668
2.352
1.00
0.00

ATOM
900
CD2
LEU
56
−1.929
−4.544
3.801
1.00
0.00

ATOM
901
HD21
LEU
56
−1.279
−3.850
3.291
1.00
0.00

ATOM
902
HD22
LEU
56
−1.898
−5.500
3.303
1.00
0.00

ATOM
903
HD23
LEU
56
−1.611
−4.656
4.824
1.00
0.00

ATOM
904
C
LEU
56
−4.568
−7.081
1.773
1.00
0.00

ATOM
905
O
LEU
56
−5.294
−7.404
0.815
1.00
0.00

ATOM
906
N
LYS
57
−4.152
−7.939
2.706
1.00
0.00

ATOM
907
HN
LYS
57
−3.564
−7.617
3.417
1.00
0.00

ATOM
908
CA
LYS
57
−4.555
−9.347
2.715
1.00
0.00

ATOM
909
HA
LYS
57
−4.259
−9.758
3.669
1.00
0.00

ATOM
910
CB
LYS
57
−6.075
−9.490
2.576
1.00
0.00

ATOM
911
HB1
LYS
57
−6.549
−9.007
3.418
1.00
0.00

ATOM
912
HB2
LYS
57
−6.396
−9.008
1.668
1.00
0.00

ATOM
913
CG
LYS
57
−6.542
−10.935
2.530
1.00
0.00

ATOM
914
NG1
LYS
57
−4.160
−11.395
1.629
1.00
0.00

ATOM
915
NG2
LYS
57
−7.622
−10.954
2.517
1.00
0.00

ATOM
916
CD
LYS
57
−6.049
−11.720
3.735
1.00
0.00

ATOM
917
ND1
LYS
57
−5.944
−11.047
4.573
1.00
0.00

ATOM
918
ND2
LYS
57
−5.090
−12.157
3.498
1.00
0.00

ATOM
919
CE
LYS
57
−7.017
−12.831
4.112
1.00
0.00

ATOM
920
HE1
LYS
57
−7.967
−12.640
3.635
1.00
0.00

ATOM
921
HE2
LYS
57
−6.621
−13.771
3.759
1.00
0.00

ATOM
922
NZ
LYS
57
−7.223
−12.915
5.585
1.00
0.00

ATOM
923
NZ1
LYS
57
−6.363
−12.609
6.084
1.00
0.00

ATOM
924
NZ2
LYS
57
−7.441
−13.894
5.860
1.00
0.00

ATOM
925
NZ3
LYS
57
−8.017
−12.302
6.871
1.00
0.00

ATOM
926
C
LYS
57
−3.855
−10.144
1.617
1.00
0.00

ATOM
927
O
LYS
57
−3.197
−11.144
−1.895
1.00
0.00

ATOM
928
N
THR
58
−4.014
−9.714
0.370
1.00
0.00

ATOM
929
HN
THR
58
−4.551
−8.913
0.201
1.00
0.00

ATOM
930
CA
THR
58
−3.403
−10.411
−0.755
1.00
0.00

ATOM
931
HA
THR
58
−3.409
−11.465
−0.527
1.00
0.00

ATOM
932
CB
THR
58
−4.223
−10.177
−2.031
1.00
0.00

ATOM
933
KB
THR
58
−4.448
−9.126
−2.112
1.00
0.00

ATOM
934
OG1
THR
58
−5.448
−10.897
−1.970
1.00
0.00

ATOM
935
HG1
THR
58
−5.974
−10.557
−1.238
1.00
0.00

ATOM
936
CG2
THR
58
−3.515
−10.598
−3.304
1.00
0.00

ATOM
937
HG21
THR
58
−4.236
−11.003
−2.998
1.00
0.00

ATOM
938
HG22
THR
58
−2.775
−11.349
−3.073
1.00
0.00

ATOM
939
HG23
THR
58
−3.031
−9.740
−3.747
1.00
0.00

ATOM
940
C
THR
58
−1.956
−9.961
−0.952
1.00
0.00

ATOM
941
O
THR
58
−1.093
−10.759
−1.318
1.00
0.00

ATOM
942
N
MET
59
−1.697
−8.682
−0.701
1.00
0.00

ATOM
943
HN
MET
59
−2.426
−8.092
−0.413
1.00
0.00

ATOM
944
CA
MET
59
−0.355
−8.132
−0.851
1.00
0.00

ATOM
945
HA
MET
59
0.020
−8.431
−1.819
1.00
0.00

ATOM
946
CB
MET
59
−0.404
−6.605
−0.783
1.00
0.00

ATOM
947
HB1
MET
59
0.536
−6.209
−1.138
1.00
0.00

ATOM
948
HB2
MET
59
−1.200
−6.252
−1.423
1.00
0.00

ATOM
949
CG
MET
59
−0.650
−6.072
0.617
1.00
0.00

ATOM
950
HG1
MET
59
−1.503
−6.585
1.032
1.00
0.00

ATOM
951
HG2
MET
59
0.218
−6.279
1.223
1.00
0.00

ATOM
952
SD
MET
59
−0.969
−4.297
0.643
1.00
0.00

ATOM
953
CE
MET
59
0.230
−3.715
−0.554
1.00
0.00

ATOM
954
HE1
MET
59
0.178
−4.324
−1.443
1.00
0.00

ATOM
955
HE2
MET
59
2.221
−3.779
−0.131
1.00
0.00

ATOM
956
HE3
MET
59
0.016
−2.688
−0.808
1.00
0.00

ATOM
957
C
MET
59
0.582
−8.669
0.228
1.00
0.00

ATOM
958
O
MET
59
1.701
−9.092
−0.061
1.00
0.00

ATOM
959
N
SER
60
0.126
−8.621
1.476
1.00
0.00

ATOM
960
HN
SER
60
−0.772
−8.270
1.644
1.00
0.00

ATOM
961
CA
SER
60
0.925
−9.088
2.601
1.00
0.00

ATOM
962
HA
SER
60
1.789
−8.445
2.682
1.00
0.00

ATOM
963
CB
SER
60
0.113
−9.004
3.898
1.00
0.00

ATOM
964
HB1
SER
60
0.214
−8.013
4.315
1.00
0.00

ATOM
965
HB2
SER
60
−0.922
−9.205
3.686
1.00
0.00

ATOM
966
OG
SER
60
0.579
−9.946
4.052
1.00
0.00

ATOM
967
HG
SER
60
1.273
−9.548
5.383
1.00
0.00

ATOM
968
C
SER
60
1.401
−10.517
2.372
1.00
0.00

ATOM
969
O
SER
60
2.417
−10.939
2.923
1.00
0.00

ATOM
970
N
GLU
61
0.665
−11.258
1.551
1.00
0.00

ATOM
971
HN
GLU
61
−0.134
−10.867
1.137
1.00
0.00

ATOM
972
CA
GLU
61
1.022
−12.636
1.249
1.00
0.00

ATOM
973
HA
GLU
61
1.138
−13.156
2.186
1.00
0.00

ATOM
974
CB
GLU
61
−0.084
−13.309
0.435
1.00
0.00

ATOM
975
HB1
GLU
61
0.025
−14.380
0.516
1.00
0.00

ATOM
976
HB2
GLU
61
0.021
−13.022
−0.601
1.00
0.00

ATOM
977
CG
GLU
61
−1.484
−12.937
0.891
1.00
0.00

ATOM
978
HG1
GLU
61
−1.460
−12.730
1.951
1.00
0.00

ATOM
979
HG2
GLU
61
−1.797
−12.051
0.360
1.00
0.00

ATOM
980
CD
GLU
61
−2.493
−14.039
0.636
1.00
0.00

ATOM
981
OE1
GLU
61
−2.755
−14.830
1.567
1.00
0.00

ATOM
982
OE2
GLU
61
−3.020
−14.112
−0.494
1.00
0.00

ATOM
983
C
GLU
61
2.338
−12.695
0.485
1.00
0.00

ATOM
984
O
GLU
61
3.295
−13.334
0.922
1.00
0.00

ATOM
985
N
ARG
62
2.387
−12.013
−0.654
1.00
0.00

ATOM
986
HN
ARG
62
1.588
−11.524
−0.949
1.00
0.00

ATOM
987
CA
ARG
62
3.578
−11.980
−1.479
1.00
0.00

ATOM
988
HA
ARG
62
3.752
−12.979
−1.846
1.00
0.00

ATOM
989
CB
ARG
62
3.368
−11.045
−2.672
1.00
0.00

ATOM
990
HB1
ARG
62
4.330
−10.804
−3.101
1.00
0.00

ATOM
991
HB2
ARG
62
2.898
−10.136
−2.326
1.00
0.00

ATOM
992
CG
ARG
62
2.496
−11.652
−3.761
1.00
0.00

ATOM
993
HG1
ARG
62
1.895
−12.438
−3.328
1.00
0.00

ATOM
994
HG2
ARG
62
3.131
−12.065
−4.528
1.00
0.00

ATOM
995
CG
ARG
62
1.576
−10.619
−4.389
1.00
0.00

ATOM
996
HD1
ARG
62
2.043
−9.647
−4.320
1.00
0.00

ATOM
997
HD2
ARG
62
0.645
−10.609
−3.845
1.00
0.00

ATOM
998
NE
ARG
62
1.259
−10.916
−5.792
1.00
0.00

ATOM
999
HE
ARG
62
1.697
−10.330
−6.467
1.00
0.00

ATOM
1000
CZ
ARG
62
0.541
−11.931
−6.194
1.00
0.00

ATOM
1001
NH1
ARG
62
0.336
−12.136
−7.488
1.00
0.00

ATOM
1002
HN11
ARG
62
0.753
−11.527
−8.163
1.00
0.00

ATOM
1003
HN12
ARG
62
−0.235
−12.900
−7.789
1.00
0.00

ATOM
1004
NH2
ARG
62
−0.014
−12.742
−5.303
1.00
0.00

ATOM
1005
HH21
ARG
62
0.139
−12.590
−4.326
1.00
0.00

ATOM
1006
HH22
ARG
62
−0.583
−13.505
−5.608
1.00
0.00

ATOM
1007
C
ARG
62
4.790
−11.542
−0.664
1.00
0.00

ATOM
1008
O
ARG
62
5.781
−12.266
−0.576
1.00
0.00

ATOM
1009
N
LEU
63
4.700
−10.366
−0.052
1.00
0.00

ATOM
1010
HN
LEU
63
3.882
−9.815
−0.149
1.00
0.00

ATOM
1011
CA
LEU
63
5.792
−9.853
0.768
1.00
0.00

ATOM
1012
HA
LEU
63
6.634
−9.663
0.117
1.00
0.00

ATOM
1013
CB
LEU
63
5.384
−8.546
1.450
1.00
0.00

ATOM
1014
HB1
LEU
63
5.208
−7.805
0.603
1.00
0.00

ATOM
1015
HB2
LEU
63
4.460
−8.716
1.982
1.00
0.00

ATOM
1016
CG
LEU
63
6.413
−7.984
2.636
1.00
0.00

ATOM
1017
HG
LEU
63
7.141
−8.747
2.663
1.00
0.00

ATOM
1018
CD1
LEU
63
7.148
−6.804
1.825
1.00
0.00

ATOM
1019
HD11
LEU
63
6.457
−5.991
1.672
1.00
0.00

ATOM
1020
HD12
LEU
63
7.575
−7.097
0.877
1.00
0.00

ATOM
1021
HD13
LEU
63
7.937
−6.487
2.492
1.00
0.00

ATOM
1022
CD2
LEU
63
5.741
−7.580
3.738
1.00
0.00

ATOM
1023
HD21
LEU
63
4.709
−7.899
3.726
1.00
0.00

ATOM
1024
HD22
LEU
63
5.785
−6.507
3.848
1.00
0.00

ATOM
1025
HD23
LEU
63
5.252
−8.049
4.565
1.00
0.00

ATOM
1026
C
LEU
63
6.204
−10.880
1.817
1.00
0.00

ATOM
1027
O
LEU
63
7.391
−11.134
2.019
1.00
0.00

ATOM
1028
N
LYS
64
5.212
−11.475
2.475
1.00
0.00

ATOM
1029
HN
LYS
64
4.287
−11.235
2.262
1.00
0.00

ATOM
1030
CA
LYS
64
5.469
−12.487
3.492
1.00
0.00

ATOM
1031
HA
LYS
64
5.962
−12.002
4.333
1.00
0.00

ATOM
1032
CB
LYS
64
4.155
−11.122
3.953
1.00
0.00

ATOM
1033
HB1
LYS
64
3.506
−13.240
3.098
1.00
0.00

ATOM
1034
HB2
LYS
64
4.365
−14.094
4.372
1.00
0.00

ATOM
1035
CG
LYS
64
3.416
−12.301
5.000
1.00
0.00

ATOM
1036
HG1
LYS
64
3.615
−11.254
4.828
1.00
0.00

ATOM
1037
HG2
LYS
64
2.356
−12.488
4.907
1.00
0.00

ATOM
1038
CD
LYS
64
3.859
−12.653
5.408
1.00
0.00

ATOM
1039
HD1
LYS
64
3.007
−13.038
6.957
1.00
0.00

ATOM
1040
HD2
LYS
64
4.618
−13.428
6.351
1.00
0.00

ATOM
1041
CE
LYS
64
4.626
−11.459
7.141
1.00
0.00

ATOM
1042
HE1
LYS
64
4.711
−10.712
6.414
1.00
0.00

ATOM
1043
HE2
LYS
64
3.663
−11.054
7.790
1.00
0.00

ATOM
1044
NZ
LYS
64
5.619
−11.817
7.959
1.00
0.00

ATOM
1045
H21
LYS
64
6.085
−12.655
7.560
1.00
0.00

ATOM
1046
H22
LYS
64
5.332
−12.025
8.936
1.00
0.00

ATOM
1047
H23
LYS
64
6.295
−11.028
7.968
1.00
0.00

ATOM
1048
C
LYS
64
6.407
−13.562
2.953
1.00
0.00

ATOM
1049
O
LYS
64
7.255
−14.082
3.677
1.00
0.00

ATOM
1050
N
ASN
65
6.256
−13.879
1.671
1.00
0.00

ATOM
1051
HN
ASN
65
5.569
−13.420
1.143
1.00
0.00

ATOM
1052
CA
ASN
65
7.103
−14.872
1.023
1.00
0.00

ATOM
1053
HA
ASN
65
7.632
−15.410
1.795
1.00
0.00

ATOM
1054
CB
ASN
65
6.254
−15.855
0.214
1.00
0.00

ATOM
1055
HB1
ASN
65
6.762
−16.082
−0.712
1.00
0.00

ATOM
1056
HB2
ASN
65
3.299
−15.400
−0.006
1.00
0.00

ATOM
1057
CG
ASN
65
6.006
−17.155
0.954
1.00
0.00

ATOM
1058
OD1
ASN
65
6.266
−18.239
0.433
1.00
0.00

ATOM
1059
ND2
ASN
65
5.501
−17.052
2.178
1.00
0.00

ATOM
1060
HD21
ASN
65
5.318
−16.156
2.538
1.00
0.00

ATOM
1061
HD22
ASN
65
5.331
−17.877
2.678
1.00
0.00

ATOM
1062
C
ASN
65
8.122
−14.195
8.119
1.00
0.00

ATOM
1063
O
ASN
65
8.532
−14.749
−0.901
1.00
0.00

ATOM
1064
N
ARG
66
8.515
−12.995
0.510
1.00
0.00

ATOM
1065
HN
ARG
66
8.174
−12.614
1.338
1.00
0.00

ATOM
1066
CA
ARG
66
9.524
−12.235
−0.247
1.00
0.00

ATOM
1067
HA
ARG
66
9.535
−11.232
0.148
1.00
0.00

ATOM
1068
CB
ARG
66
10.919
−12.948
−0.092
1.00
0.00

ATOM
1069
HB1
ARG
66
11.122
−13.471
−0.950
1.00
0.00

ATOM
1070
HB2
ARG
66
11.643
−12.051
−0.063
1.00
0.00

ATOM
1071
CG
ARG
66
11.100
−13.692
1.161
1.00
0.00

ATOM
1072
HG1
ARG
66
11.963
−14.321
1.031
1.00
0.00

ATOM
1073
HG2
ARG
66
10.225
−14.307
1.303
1.00
0.00

ATOM
1074
CD
ARG
66
11.298
−12.825
2.392
1.00
0.00

ATOM
1075
HD1
ARG
66
11.969
−12.017
2.143
1.00
0.00

ATOM
1076
HD2
ARG
66
10.342
−12.420
2.689
1.00
0.00

ATOM
1077
NE
ARG
66
11.860
−13.580
3.509
1.00
0.00

ATOM
1078
HE
ARG
66
12.876
−13.512
3.663
1.00
0.00

ATOM
1079
CZ
ARG
66
11.136
−14.344
4.319
1.00
0.00

ATOM
1080
NH1
ARG
66
11.719
−14.998
5.314
1.00
0.00

ATOM
1081
NH11
ARG
66
12.706
−14.917
5.455
1.00
0.00

ATOM
1082
NH12
ARG
66
11.173
−15.573
5.923
1.00
0.00

ATOM
1083
NH2
ARG
66
9.827
−14.454
4.136
1.00
0.00

ATOM
1084
HH21
ARG
66
9.384
−13.963
3.387
1.00
0.00

ATOM
1085
HH22
ARG
66
9.284
−15.038
4.747
1.00
0.00

ATOM
1086
C
ARG
66
9.153
−12.177
−1.725
1.00
0.00

ATOM
1087
O
ARG
66
10.018
−12.041
−2.590
1.00
0.00

ATOM
1088
N
TYR
67
7.862
−12.286
−2.002
1.00
0.00

ATOM
1089
HN
TYR
67
7.230
−12.408
−1.266
1.00
0.00

ATOM
1090
CA
TYR
67
7.364
−12.275
−3.374
1.00
0.00

ATOM
1091
HA
TYR
67
8.125
−12.708
−4.008
1.00
0.00

ATOM
1092
CB
TYR
67
6.091
−13.117
−3.475
1.00
0.00

ATOM
1093
HB1
TYR
67
6.193
−13.995
−2.856
1.00
0.00

ATOM
1094
HB2
TYR
67
5.259
−12.530
−1.121
1.00
0.00

ATOM
1095
CG
TYR
67
5.767
−13.566
−4.881
1.00
0.00

ATOM
1096
CD1
TYR
67
6.113
−14.835
−5.326
1.00
0.00

ATOM
1097
HD1
TYR
67
6.628
−15.506
−4.654
1.00
0.00

ATOM
1098
CD2
TYR
67
5.107
−12.720
−5.761
1.00
0.00

ATOM
1099
HD2
TYR
67
4.827
−11.731
−5.427
1.00
0.00

ATOM
1100
CE1
TYR
67
5.811
−15.247
−6.611
1.00
0.00

ATOM
1101
HE1
TYR
67
6.089
−16.237
−6.940
1.00
0.00

ATOM
1102
CE2
TYR
67
4.798
−13.123
−7.044
1.00
0.00

ATOM
1103
HE2
TYR
67
4.281
−12.449
−7.711
1.00
0.00

ATOM
1104
CZ
TYR
67
5.153
−14.387
−7.466
1.00
0.00

ATOM
1105
OH
TYR
67
4.850
−14.793
−8.745
1.00
0.00

ATOM
1106
HH
TYR
67
4.026
−15.286
−8.737
1.00
0.00

ATOM
1107
C
TYR
67
7.066
−10.860
−3.859
1.00
0.00

ATOM
1108
O
TYR
67
6.990
−10.616
−5.063
1.00
0.00

ATOM
1109
N
TYR
68
6.859
−9.937
−2.935
1.00
0.00

ATOM
1110
HN
TYR
68
6.909
−10.187
−1.978
1.00
0.00

ATOM
1111
CA
TYR
68
6.515
−8.568
−3.280
1.00
0.00

ATOM
1112
HA
TYR
68
6.570
−8.478
−4.355
1.00
0.00

ATOM
1113
CB
TYR
68
5.089
−8.263
−2.821
1.00
0.00

ATOM
1114
HB1
TYR
68
4.746
−9.065
−2.146
1.00
0.00

ATOM
1115
HB2
TYR
68
5.096
−7.348
−2.256
1.00
0.00

ATOM
1116
CG
TYR
68
4.089
−8.103
−3.946
1.00
0.00

ATOM
1117
CD1
TYR
68
4.278
−8.729
−5.174
1.00
0.00

ATOM
1118
HD1
TYR
68
5.157
−9.336
−5.327
1.00
0.00

ATOM
1119
CD2
TYR
68
2.946
−7.334
−3.772
1.00
0.00

ATOM
1120
HD2
TYR
68
2.783
−6.844
−2.823
1.00
0.00

ATOM
1121
CE1
TYR
68
3.359
−8.582
−6.194
1.00
0.00

ATOM
1122
HE1
TYR
68
3.523
−9.075
−7.143
1.00
0.00

ATOM
1123
CE2
TYR
68
2.022
−7.185
−4.789
1.00
0.00

ATOM
1124
HE2
TYR
68
1.141
−6.581
−4.633
1.00
0.00

ATOM
1125
CZ
TYR
68
2.233
−7.811
−5.998
1.00
0.00

ATOM
1126
OH
TYR
68
1.315
−7.665
−7.012
1.00
0.00

ATOM
1127
HH
TYR
68
0.444
−7.518
−6.637
1.00
0.00

ATOM
1128
C
TYR
68
7.484
−7.570
−2.656
1.00
0.00

ATOM
1129
O
TYR
68
7.095
−5.457
−2.303
1.00
0.00

ATOM
1130
N
TYR
68
8.744
−7.967
−2.529
1.00
0.00

ATOM
1131
HN
VAL
69
9.000
−8.862
−2.835
1.00
0.00

ATOM
1132
CA
VAL
69
9.761
−7.086
−1.962
1.00
0.00

ATOM
1133
HA
VAL
69
9.284
−6.461
−1.221
1.00
0.00

ATOM
1134
CB
VAL
69
10.902
−7.854
−1.276
1.00
0.00

ATOM
1135
HB
VAL
69
11.715
−7.964
−1.194
1.00
0.00

ATOM
1136
CG1
VAL
69
10.465
−9.242
−0.846
1.00
0.00

ATOM
1137
HG11
VAL
69
9.487
−9.183
−0.393
1.00
0.00

ATOM
1138
HG12
VAL
69
11.171
−9.640
−0.133
1.00
0.00

ATOM
1139
HG13
VAL
69
10.423
−9.887
−1.712
1.00
0.00

ATOM
1140
CG2
VAL
69
11.422
−7.059
−0.090
1.00
0.00

ATOM
1141
HG21
VAL
69
12.197
−7.619
0.411
1.00
0.00

ATOM
1142
HG22
VAL
69
10.608
−6.872
0.597
1.00
0.00

ATOM
1143
HG23
VAL
69
11.822
−6.118
−0.438
1.00
0.00

ATOM
1144
C
VAL
69
10.352
−6.199
−3.043
1.00
0.00

ATOM
1145
O
VAL
69
11.543
−6.272
−3.345
1.00
0.00

ATOM
1146
N
SER
70
9.507
−5.372
−3.634
1.00
0.00

ATOM
1147
HN
SER
70
8.566
−5.371
−3.359
1.00
0.00

ATOM
1148
CA
SER
70
9.934
−4.491
−4.703
1.00
0.00

ATOM
1149
HA
SER
70
10.985
−4.285
−4.564
1.00
0.00

ATOM
1150
CB
SER
70
9.734
−5.190
−6.045
1.00
0.00

ATOM
1151
HB1
SER
70
10.626
−5.749
−6.289
1.00
0.00

ATOM
1152
HB2
SER
70
8.898
−5.868
−5.966
1.00
0.00

ATOM
1153
OG
SER
70
9.476
−4.258
−7.081
1.00
0.00

ATOM
1154
HG
SER
70
10.175
−3.600
−7.102
1.00
0.00

ATOM
1155
C
SER
70
9.164
−3.179
−4.457
1.00
0.00

ATOM
1156
O
SER
70
7.969
−3.158
−4.359
1.00
0.00

ATOM
1157
N
LYS
71
9.861
−2.083
−4.924
1.00
0.00

ATOM
1158
HN
LYS
71
10.816
−2.163
−5.131
1.00
0.00

ATOM
1159
CA
LYS
71
9.258
−0.761
−4.863
1.00
0.00

ATOM
1160
HA
LYS
71
8.988
−0.583
−3.832
1.00
0.00

ATOM
1161
CB
LYS
71
10.271
0.305
−5.297
1.00
0.00

ATOM
1162
HB1
LYS
71
11.076
0.332
−4.577
1.00
0.00

ATOM
1163
HB2
LYS
71
10.673
0.029
−6.261
1.00
0.00

ATOM
1164
CG
LYS
71
9.687
1.706
−5.409
1.00
0.00

ATOM
1165
HG1
LYS
71
9.954
2.267
−4.528
1.00
0.00

ATOM
1166
HG2
LYS
71
8.613
1.638
−5.482
1.00
0.00

ATOM
1167
CD
LYS
71
10.218
2.433
−6.634
1.00
0.00

ATOM
1168
HD1
LYS
71
11.033
1.863
−7.054
1.00
0.00

ATOM
1169
HD2
LYS
71
9.424
2.521
−7.360
1.00
0.00

ATOM
1170
CE
LYS
71
10.721
3.824
−6.282
1.00
0.00

ATOM
1171
HE1
LYS
71
11.466
3.737
−5.506
1.00
0.00

ATOM
1172
HE2
LYS
71
9.892
4.412
−9.919
1.00
0.00

ATOM
1173
NZ
LYS
71
11.323
4.511
−7.657
1.00
0.00

ATOM
1174
HZ1
LYS
71
10.580
4.970
−8.023
1.00
0.00

ATOM
1175
HZ2
LYS
71
11.823
3.823
−8.056
1.00
0.00

ATOM
1176
HZ3
LYS
71
12.000
5.234
−7.141
1.00
0.00

ATOM
1177
C
LYS
71
7.984
−0.678
−5.707
1.00
0.00

ATOM
1178
O
LYS
71
6.898
−1.000
−5.224
1.00
0.00

ATOM
1179
N
LYS
72
8.116
−0.244
−6.964
1.00
0.00

ATOM
1180
HN
LYS
72
9.002
0.015
−7.290
1.00
0.00

ATOM
1181
CA
LYS
72
6.963
−0.053
−7.846
1.00
0.00

ATOM
1182
HA
LYS
72
6.511
0.892
−7.580
1.00
0.00

ATOM
1183
CB
LYS
72
7.419
0.008
−9.306
1.00
0.00

ATOM
1184
HB1
LYS
72
8.261
0.680
−9.379
1.00
0.00

ATOM
1185
HB2
LYS
72
7.728
−0.979
−9.615
1.00
0.00

ATOM
1186
CG
LYS
72
6.339
0.491
−10.258
1.00
0.00

ATOM
1187
HG1
LYS
72
6.588
0.174
−11.260
1.00
0.00

ATOM
1188
HG2
LYS
72
5.394
0.057
−9.965
1.00
0.00

ATOM
1189
CD
LYS
72
6.214
2.005
−10.238
1.00
0.00

ATOM
1190
HD1
LYS
72
5.264
2.284
−10.669
1.00
0.00

ATOM
1191
HD2
LYS
72
6.261
2.347
−9.214
1.00
0.00

ATOM
1192
CE
LYS
72
7.329
2.668
−11.031
1.00
0.00

ATOM
1193
HE1
LYS
72
7.643
3.559
−10.508
1.00
0.00

ATOM
1194
HE2
LYS
72
8.160
1.981
−11.102
1.00
0.00

ATOM
1195
NZ
LYS
72
6.889
3.041
−12.403
1.00
0.00

ATOM
1196
HZ1
LYS
72
7.488
3.805
−12.775
1.00
0.00

ATOM
1197
HZ2
LYS
72
5.902
3.366
−12.386
1.00
0.00

ATOM
1198
HZ3
LYS
72
6.961
2.219
−13.037
1.00
0.00

ATOM
1199
C
LYS
72
5.915
−1.152
−7.680
1.00
0.00

ATOM
1200
O
LYS
72
4.723
−0.913
−7.869
1.00
0.00

ATOM
1201
N
LEU
73
6.357
−2.345
−7.305
1.00
0.00

ATOM
1202
HN
LEU
73
7.318
−2.480
−7.168
1.00
0.00

ATOM
1203
CA
LEU
73
5.446
−3.462
−7.101
1.00
0.00

ATOM
1204
HA
LEU
73
4.802
−3.527
−7.966
1.00
0.00

ATOM
1205
CB
LEU
73
6.231
−4.764
−6.964
1.00
0.00

ATOM
1206
HB1
LEU
73
6.470
−4.910
−5.922
1.00
0.00

ATOM
1207
HB2
LEU
73
7.152
−4.656
−7.512
1.00
0.00

ATOM
1208
CG
LEU
73
5.508
−6.014
−7.466
1.00
0.00

ATOM
1209
HG
LEU
73
4.553
−6.094
−6.966
1.00
0.00

ATOM
1210
CD1
LEU
73
6.315
−7.262
−7.145
1.00
0.00

ATOM
1211
HD11
LEU
73
6.321
−7.421
−6.078
1.00
0.00

ATOM
1212
HD12
LEU
73
7.328
−7.136
−7.496
1.00
0.00

ATOM
1213
HD13
LEU
73
5.868
−8.115
−7.633
1.00
0.00

ATOM
1214
CD2
LEU
73
5.247
−5.915
−8.961
1.00
0.00

ATOM
1215
HD21
LEU
73
4.982
−6.889
−9.345
1.00
0.00

ATOM
1216
HD22
LEU
73
6.138
−5.562
−9.459
1.00
0.00

ATOM
1217
HD23
LEU
73
4.437
−5.224
−9.140
1.00
0.00

ATOM
1218
C
LEU
73
4.587
−3.287
−5.861
1.00
0.00

ATOM
1219
O
LEU
73
3.375
−3.053
−5.958
1.00
0.00

ATOM
1220
N
PHE
74
5.218
−3.316
−4.693
1.00
0.00

ATOM
1221
HN
PHE
74
6.184
−3.474
−4.678
1.00
0.00

ATOM
1222
CA
PHE
74
4.513
−3.144
−3.434
1.00
0.00

ATOM
1223
HA
PHE
74
3.549
−3.622
−3.526
1.00
0.00

ATOM
1224
CB
PHE
74
5.290
−3.809
−2.305
1.00
0.00

ATOM
1225
HB1
PHE
74
6.174
−3.224
−2.095
1.00
0.00

ATOM
1226
HB2
PHE
74
5.587
−4.799
−2.614
1.00
0.00

ATOM
1227
CG
PHE
74
4.504
−3.929
−1.033
1.00
0.00

ATOM
1228
CD1
PHE
74
4.062
−5.163
−0.385
1.00
0.00

ATOM
1229
HD1
PHE
74
4.271
−6.043
−1.166
1.00
0.00

ATOM
1230
CD2
PHE
74
4.223
−2.807
−0.277
1.00
0.00

ATOM
1231
HD2
PHE
74
4.578
−1.842
−0.610
1.00
0.00

ATOM
1232
CE1
PHE
74
3.350
−5.272
0.593
1.00
0.00

ATOM
1233
HE1
PHE
74
3.006
−6.238
0.930
1.00
0.00

ATOM
1234
CE2
PHE
74
3.518
−2.911
0.903
1.00
0.00

ATOM
1235
HE2
PHE
74
3.316
−0.029
1.489
1.00
0.00

ATOM
1236
CZ
PHE
74
3.087
−4.144
1.342
1.00
0.00

ATOM
1237
HZ
PHE
74
2.524
−4.223
2.257
1.00
0.00

ATOM
1238
C
PHE
74
4.300
−1.670
−3.113
1.00
0.00

ATOM
1239
O
PHE
74
3.172
−1.236
−2.879
1.00
0.00

ATOM
1240
N
MET
75
5.392
−0.902
−1.095
1.00
0.00

ATOM
1241
HN
MET
75
6.262
−1.309
−3.281
1.00
0.00

ATOM
1242
CA
MET
75
5.324
0.529
−2.788
1.00
0.00

ATOM
1243
HA
MET
75
5.190
0.628
−1.721
1.00
0.00

ATOM
1244
CB
MET
75
6.617
1.240
−3.192
1.00
0.00

ATOM
1245
HB1
MET
75
6.403
2.289
−3.330
1.00
0.00

ATOM
1246
HB2
MET
75
6.964
0.834
−4.124
1.00
0.00

ATOM
1247
CG
MET
75
7.738
1.120
−2.171
1.00
0.00

ATOM
1248
HG1
MET
75
8.668
1.379
−2.652
1.00
0.00

ATOM
1249
HG2
MET
75
7.546
1.818
−1.373
1.00
0.00

ATOM
1250
SD
MET
75
7.907
−0.529
−1.461
1.00
0.00

ATOM
1251
CE
MET
75
7.869
−0.153
0.288
1.00
0.00

ATOM
1252
HE1
MET
75
8.136
−1.036
0.851
1.00
0.00

ATOM
1253
HE2
MET
75
6.875
0.161
0.564
1.00
0.00

ATOM
1254
HE3
MET
75
8.569
0.638
0.506
1.00
0.00

ATOM
1255
C
MET
75
4.136
1.176
−3.488
1.00
0.00

ATOM
1256
O
MET
75
3.495
2.073
−2.942
1.00
0.00

ATOM
1257
N
ALA
76
3.826
0.692
−4.687
1.00
0.00

ATOM
1258
HN
ALA
76
4.346
−0.055
−5.060
1.00
0.00

ATOM
1259
CA
ALA
76
2.659
1.177
−5.404
1.00
0.00

ATOM
1260
HA
ALA
76
2.666
2.259
−5.381
1.00
0.00

ATOM
1261
CB
ALA
76
2.669
0.723
−6.853
1.00
0.00

ATOM
1262
HB1
ALA
76
1.441
1.251
−7.393
1.00
0.00

ATOM
1263
HB2
ALA
76
1.706
0.935
−7.300
1.00
0.00

ATOM
1264
HB3
ALA
76
2.858
−0.338
−6.895
1.00
0.00

ATOM
1265
C
ALA
76
1.409
0.682
−8.714
1.00
0.00

ATOM
1266
O
ALA
76
0.613
1.472
−8.236
1.00
0.00

ATOM
1267
N
ASP
77
1.286
−0.640
−8.600
1.00
0.00

ATOM
1268
HN
ASP
77
1.977
−1.214
−4.989
1.00
0.00

ATOM
1269
CA
ASP
77
0.136
−1.260
−3.941
1.00
0.00

ATOM
1270
HA
ASP
77
−0.692
−1.239
−4.637
1.00
0.00

ATOM
1271
CB
ASP
77
0.454
−2.714
−3.586
1.00
0.00

ATOM
1272
HB1
ASP
77
1.280
−2.736
−2.891
1.00
0.00

ATOM
1273
HB2
ASP
77
−0.413
−3.164
−3.124
1.00
0.00

ATOM
1274
CG
ASP
77
0.831
−3.537
−4.802
1.00
0.00

ATOM
1275
OD1
ASP
77
0.295
−3.261
−5.896
1.00
0.00

ATOM
1276
OD2
ASP
77
1.666
−4.455
−4.661
1.00
0.00

ATOM
1277
C
ASP
77
−0.266
−0.491
−2.685
1.00
0.00

ATOM
1278
O
ASP
77
−1.436
−0.169
−2.498
1.00
0.00

ATOM
1279
N
LEU
78
0.718
−0.155
−1.857
1.00
0.00

ATOM
1280
HN
LEU
78
1.639
−0.417
−2.071
1.00
0.00

ATOM
1281
CA
LEU
78
0.464
0.617
−0.649
1.00
0.00

ATOM
1282
HA
LEU
78
−0.294
0.104
−0.077
1.00
0.00

ATOM
1283
CB
LEU
78
1.744
0.724
0.185
1.00
0.00

ATOM
1284
HB1
LEU
78
1.931
1.768
0.378
1.00
0.00

ATOM
1285
HB2
LEU
78
2.582
0.336
−0.402
1.00
0.00

ATOM
1286
CG
LEU
78
1.726
−0.016
1.529
1.00
0.00

ATOM
1287
HG
LEU
78
2.742
−0.221
1.827
1.00
0.00

ATOM
1288
CD1
LEU
78
0.998
−1.347
1.413
1.00
0.00

ATOM
1289
HD11
LEU
78
−0.066
−1.174
1.360
1.00
0.00

ATOM
1290
HD12
LEU
78
1.222
−1.955
2.277
1.00
0.00

ATOM
1291
HD13
LEU
78
1.327
−1.855
0.521
1.00
0.00

ATOM
1292
CD2
LEU
78
1.094
0.844
2.606
1.00
0.00

ATOM
1293
HD21
LEU
78
1.126
1.880
2.303
1.00
0.00

ATOM
1294
HD22
LEU
78
1.641
0.721
3.529
1.00
0.00

ATOM
1295
HD23
LEU
78
0.068
0.541
2.752
1.00
0.00

ATOM
1296
C
LEU
78
−0.045
2.009
−1.009
1.00
0.00

ATOM
1297
O
LEU
78
−1.164
2.385
−0.657
1.00
0.00

ATOM
1298
N
GLN
79
0.780
2.760
−1.731
1.00
0.00

ATOM
1299
HN
GLN
79
1.649
2.393
−1.995
1.00
0.00

ATOM
1300
CA
GLN
79
0.410
4.097
−2.184
1.00
0.00

ATOM
1301
HA
GLN
79
0.157
4.744
−1.321
1.00
0.00

ATOM
1302
CB
GLN
79
1.478
4.621
−3.154
1.00
0.00

ATOM
1303
HB1
GLN
79
1.727
3.833
−3.850
1.00
0.00

ATOM
1304
HB2
GLN
79
2.367
4.879
−2.591
1.00
0.00

ATOM
1305
CG
GLN
79
1.052
5.840
−3.958
1.00
0.00

ATOM
1306
HG1
GLN
79
0.674
5.507
−4.913
1.00
0.00

ATOM
1307
HG2
GLN
79
0.270
4.356
−3.421
1.00
0.00

ATOM
1308
CD
GLN
79
2.194
6.807
−4.202
1.00
0.00

ATOM
1309
OE1
GLN
79
2.596
1.551
−3.307
1.00
0.00

ATOM
1310
NE2
GLN
79
2.722
6.801
−5.420
1.00
0.00

ATOM
1311
HE21
GLN
79
3.462
7.416
−5.607
1.00
0.00

ATOM
1312
HE22
GLN
79
2.350
6.282
−6.083
1.00
0.00

ATOM
1313
C
GLN
79
−0.953
4.061
−2.870
1.00
0.00

ATOM
1314
O
GLN
79
−1.745
4.997
−2.768
1.00
0.00

ATOM
1315
N
ARG
80
−1.205
2.961
−3.563
1.00
0.00

ATOM
1316
HN
ARG
80
−0.522
1.263
−3.602
1.00
0.00

ATOM
1317
CA
ARG
80
−2.439
2.755
−6.287
1.00
0.00

ATOM
1318
HA
ARG
80
−2.705
3.686
−4.766
1.00
0.00

ATOM
1319
CB
ARG
80
−2.211
1.682
−5.363
1.00
0.00

ATOM
1320
HB1
ARG
80
−1.153
1.505
−5.449
1.00
0.00

ATOM
1321
HB2
ARG
80
−2.686
0.767
−5.059
1.00
0.00

ATOM
1322
CG
ARG
80
−2.725
2.06
−6.740
1.00
0.00

ATOM
1323
HG1
ARG
80
−2.057
2.795
−7.171
1.00
0.00

ATOM
1324
HG2
ARG
80
−2.742
1.180
−7.363
1.00
0.00

ATOM
1325
CD
ARG
80
−4.122
2.649
−6.682
1.00
0.00

ATOM
1326
HD1
ARG
80
−4.422
2.735
−5.653
1.00
0.00

ATOM
1327
HD2
ARG
80
−4.792
1.982
−7.193
1.00
0.00

ATOM
1328
NE
ARG
80
−4.196
1.966
−7.310
1.00
0.00

ATOM
1329
HZ
ARG
80
−3.338
4.603
−7.534
1.00
0.00

ATOM
1330
CZ
ARG
80
−5.322
4.595
−7.594
1.00
0.00

ATOM
1331
NH1
ARG
80
−6.486
6.030
−7.305
1.00
0.00

ATOM
1332
HH11
ARG
80
−7.339
4.505
−7.519
1.00
0.00

ATOM
1333
HH12
ARG
80
−6.509
3.129
−6.872
1.00
0.00

ATOM
1334
NH2
ARG
80
−5.294
5.790
−8.168
1.00
0.00

ATOM
1335
HH21
ARG
80
−4.418
6.239
−8.386
1.00
0.00

ATOM
1336
HH22
ARG
80
−4.149
6.263
−8.380
1.00
0.00

ATOM
1337
C
ARG
80
−1.562
2.353
−3.329
1.00
0.00

ATOM
1338
O
ARG
80
−4.715
2.740
−3.523
1.00
0.00

ATOM
1339
N
VAL
81
−3.210
1.620
−2.273
1.00
0.00

ATOM
1340
HN
VAL
81
−2.271
1.367
−2.155
1.00
0.00

ATOM
1341
CA
VAL
81
−4.189
1.231
−1.261
1.00
0.00

ATOM
1342
HA
VAL
81
−4.947
0.630
−1.742
1.00
0.00

ATOM
1343
CB
VAL
81
−3.543
0.387
−0.129
1.00
0.00

ATOM
1344
HB
VAL
81
−2.648
0.893
0.201
1.00
0.00

ATOM
1345
CG1
VAL
81
−3.147
−0.988
−0.645
1.00
0.00

ATOM
1346
HG11
VAL
81
−2.073
−1.089
−0.614
1.00
0.00

ATOM
1347
HG12
VAL
81
−3.491
−1.105
−1.661
1.00
0.00

ATOM
1348
HG13
VAL
81
−3.597
−1.750
−0.023
1.00
0.00

ATOM
1349
CG2
VAL
81
−4.476
0.247
1.070
1.00
0.00

ATOM
1350
HG21
VAL
81
−5.364
−0.291
0.774
1.00
0.00

ATOM
1351
HG22
VAL
81
−4.752
1.228
1.429
1.00
0.00

ATOM
1352
HG23
VAL
81
−3.972
−0.295
1.857
1.00
0.00

ATOM
1353
C
VAL
81
−4.844
2.481
−0.674
1.00
0.00

ATOM
1354
O
VAL
81
−6.050
3.507
−0.427
1.00
0.00

ATOM
1355
N
PHE
82
−4.037
3.515
−0.459
1.00
0.00

ATOM
1356
HN
PHE
82
−3.086
3.436
−0.684
1.00
0.00

ATOM
1357
CA
PHE
82
−4.533
4.774
0.080
1.00
0.00

ATOM
1358
HA
PHE
82
−5.269
4.545
0.837
1.00
0.00

ATOM
1359
CB
PHE
82
−3.390
3.572
0.717
1.00
0.00

ATOM
1360
HB1
PHE
82
−2.807
6.034
−0.065
1.00
0.00

ATOM
1361
HB2
PHE
82
−3.820
6.342
1.348
1.00
0.00

ATOM
1362
CG
PHE
82
−2.455
4.746
1.561
1.00
0.00

ATOM
1363
CD1
PHE
82
−2.850
3.520
2.077
1.00
0.00

ATOM
1364
HD1
PHE
82
−3.841
3.149
1.861
1.00
0.00

ATOM
1365
CD2
PHE
82
−1.180
5.209
1.850
1.00
0.00

ATOM
1366
HD2
PHE
82
−0.862
6.163
1.457
1.00
0.00

ATOM
1367
CE1
PHE
82
−1.988
2.768
2.853
1.00
0.00

ATOM
1368
HE1
PHE
82
−2.307
1.815
3.248
1.00
0.00

ATOM
1369
CE2
PHE
82
−0.316
4.462
2.627
1.00
0.00

ATOM
1370
HE2
PHE
82
0.675
4.834
2.842
1.00
0.00

ATOM
1371
CZ
PHE
82
−0.721
3.242
3.131
1.00
0.00

ATOM
1372
HZ
PHE
82
−0.047
2.659
3.741
1.00
0.00

ATOM
1373
C
PHE
82
−5.194
5.601
−1.014
1.00
0.00

ATOM
1374
O
PHE
82
−6.353
5.997
−0.895
1.00
0.00

ATOM
1375
N
THR
83
−4.450
5.849
−2.089
1.00
0.00

ATOM
1376
HN
THR
83
−3.536
5.499
−2.129
1.00
0.00

ATOM
1377
CA
THR
83
−4.968
6.616
−3.215
1.00
0.00

ATOM
1378
HA
THR
83
−5.151
7.624
−2.875
1.00
0.00

ATOM
1379
CB
THR
83
−3.941
6.649
−6.350
1.00
0.00

ATOM
1380
HB
THR
83
−3.649
5.637
−6.580
1.00
0.00

ATOM
1381
OG1
THR
83
−2.784
7.365
−3.955
1.00
0.00

ATOM
1382
HG1
THR
83
−2.246
6.813
−3.382
1.00
0.00

ATOM
1383
CG2
THR
83
−4.464
7.286
−5.619
1.00
0.00

ATOM
1384
HG21
THR
83
−3.654
7.404
−6.323
1.00
0.00

ATOM
1385
HG22
THR
83
−4.884
8.255
−5.389
1.00
0.00

ATOM
1386
HG23
THR
83
−5.228
6.656
−6.049
1.00
0.00

ATOM
1387
C
THR
83
−6.278
6.017
−3.711
1.00
0.00

ATOM
1388
O
THR
83
−7.221
6.740
−4.033
1.00
0.00

ATOM
1389
N
ASN
84
−6.333
4.690
−3.756
1.00
0.00

ATOM
1390
HN
ASN
84
−5.550
4.170
−3.476
1.00
0.00

ATOM
1391
CA
ASN
84
−7.533
3.987
−4.190
1.00
0.00

ATOM
1392
HA
ASN
84
−7.822
4.381
−5.153
1.00
0.00

ATOM
1393
CB
ASN
84
−7.250
2.491
−4.321
1.00
0.00

ATOM
1394
HB1
ASN
84
−6.457
2.342
−5.039
1.00
0.00

ATOM
1395
HB2
ASN
84
−6.939
2.107
−3.362
1.00
0.00

ATOM
1396
CG
ASN
84
−8.464
1.707
−4.778
1.00
0.00

ATOM
1397
OD1
ASN
84
−9.459
2.282
−5.228
1.00
0.00

ATOM
1398
ND2
ASN
84
−8.388
0.385
−4.672
1.00
0.00

ATOM
1399
HD21
ASN
84
−7.564
−0.004
−4.312
1.00
0.00

ATOM
1400
HD22
ASN
84
−9.158
−0.147
−4.960
1.00
0.00

ATOM
1401
C
ASN
84
−8.670
4.212
−3.201
1.00
0.00

ATOM
1402
O
ASN
84
−9.656
4.879
−3.514
1.00
0.00

ATOM
1403
N
CYS
85
−8.520
3.657
−2.003
1.00
0.00

ATOM
1404
HN
CYS
85
−7.708
3.142
−1.812
1.00
0.00

ATOM
1405
CA
CYS
85
−9.526
3.808
−0.961
1.00
0.00

ATOM
1406
HA
CYS
85
−10.414
3.280
−1.276
1.00
0.00

ATOM
1407
CB
CYS
85
−9.028
3.205
0.354
1.00
0.00

ATOM
1408
HB1
CYS
85
−9.789
3.329
1.109
1.00
0.00

ATOM
1409
HB2
CYS
85
−8.132
3.724
0.665
1.00
0.00

ATOM
1410
SG
CYS
85
−8.635
1.443
0.257
1.00
0.00

ATOM
1411
HG
CYS
85
−9.362
0.955
0.652
1.00
0.00

ATOM
1412
C
CYS
85
−9.873
5.278
−0.759
1.00
0.00

ATOM
1413
O
CYS
85
−10.996
5.613
−0.398
1.00
0.00

ATOM
1414
N
LYS
86
−8.898
6.150
−0.993
1.00
0.00

ATOM
1415
HN
LYS
86
−8.021
5.820
−1.281
1.00
0.00

ATOM
1416
CA
LYS
86
−9.102
7.586
−0.840
1.00
0.00

ATOM
1417
HA
LYS
86
−9.725
7.741
0.029
1.00
0.00

ATOM
1418
CB
LYS
86
−7.758
8.290
−0.623
1.00
0.00

ATOM
1419
HB1
LYS
86
−7.355
7.984
0.330
1.00
0.00

ATOM
1420
HB2
LYS
86
−7.078
7.990
−1.405
1.00
0.00

ATOM
1421
CG
LYS
86
−7.853
9.807
−0.632
1.00
0.00

ATOM
1422
HG1
LYS
86
−8.358
10.091
−0.901
1.00
0.00

ATOM
1423
HG2
LYS
86
−7.625
10.178
0.356
1.00
0.00

ATOM
1424
CD
LYS
86
−6.882
10.424
−1.626
1.00
0.00

ATOM
1425
HD1
LYS
86
−7.437
11.020
−2.334
1.00
0.00

ATOM
1426
HD2
LYS
86
−6.363
9.633
−2.147
1.00
0.00

ATOM
1427
CE
LYS
86
−5.850
11.308
−0.930
1.00
0.00

ATOM
1428
HE1
LYS
86
−5.744
10.970
0.090
1.00
0.00

ATOM
1429
HE2
LYS
86
−4.915
11.221
−1.447
1.00
0.00

ATOM
1430
NZ
LYS
86
−6.276
12.738
−0.922
1.00
0.00

ATOM
1431
HZ1
LYS
86
−6.207
13.125
0.041
1.00
0.00

ATOM
1432
HZ2
LYS
86
−7.260
12.825
−1.249
1.00
0.00

ATOM
1433
HZ3
LYS
86
−5.663
13.292
−1.552
1.00
0.00

ATOM
1434
C
LYS
86
−9.805
8.175
−2.060
1.00
0.00

ATOM
1435
O
LYS
86
−10.579
9.126
−1.943
1.00
0.00

ATOM
1436
N
GLU
87
−9.518
7.615
−3.230
1.00
0.00

ATOM
1437
HN
GLU
87
−8.883
6.869
−3.259
1.00
0.00

ATOM
1438
CA
GLU
87
−10.101
8.103
−6.474
1.00
0.00

ATOM
1439
HA
GLU
87
−10.301
9.183
−4.435
1.00
0.00

ATOM
1440
CB
GLU
87
−9.256
7.649
−5.665
1.00
0.00

ATOM
1441
HB1
GLU
87
−9.884
7.607
−6.542
1.00
0.00

ATOM
1442
HB2
GLU
87
−8.869
6.662
−5.462
1.00
0.00

ATOM
1443
CG
GLU
87
−8.084
8.570
−5.963
1.00
0.00

ATOM
1444
HG1
GLU
87
−7.726
8.989
−5.033
1.00
0.00

ATOM
1445
HG2
GLU
87
−7.296
7.993
−6.424
1.00
0.00

ATOM
1446
CD
GLU
87
−8.460
9.707
−6.893
1.00
0.00

ATOM
1447
OE1
GLU
87
−9.484
9.583
−7.597
1.00
0.00

ATOM
1448
OE2
GLU
87
−7.732
10.721
−6.916
1.00
0.00

ATOM
1449
C
GLU
87
−11.539
7.621
−4.645
1.00
0.00

ATOM
1450
O
GLU
87
−12.423
8.397
−5.010
1.00
0.00

ATOM
1451
N
TYR
88
−11.769
6.338
−4.387
1.00
0.00

ATOM
1452
HN
TYR
88
−11.023
5.763
−6.109
1.00
0.00

ATOM
1453
CA
TYR
88
−13.100
5.757
−4.536
1.00
0.00

ATOM
1454
HA
TYR
88
−13.528
6.144
−5.449
1.00
0.00

ATOM
1455
CB
TYR
88
−13.000
4.234
−4.639
1.00
0.00

ATOM
1456
HB1
TYR
88
−12.032
3.971
−5.040
1.00
0.00

ATOM
1457
HB2
TYR
88
−13.104
3.806
−3.653
1.00
0.00

ATOM
1458
CG
TYR
88
−14.054
3.612
−5.527
1.00
0.00

ATOM
1459
CD1
TYR
88
−15.165
2.982
−4.982
1.00
0.00

ATOM
1460
HD1
TYR
88
−15.273
2.942
−3.908
1.00
0.00

ATOM
1461
CD2
TYR
88
−13.935
3.651
−6.911
1.00
0.00

ATOM
1462
HD2
TYR
88
−13.076
4.136
−7.350
1.00
0.00

ATOM
1463
CE1
TYR
88
−16.130
2.410
−5.790
1.00
0.00

ATOM
1464
HE1
TYR
88
−16.987
1.925
−5.347
1.00
0.00

ATOM
1465
CE2
TYR
88
−14.894
3.081
−7.726
1.00
0.00

ATOM
1466
HE2
TYR
88
−14.785
3.122
−8.800
1.00
0.00

ATOM
1467
CZ
TYR
88
−15.990
2.463
−7.161
1.00
0.00

ATOM
1468
OH
TYR
88
−16.947
1.893
−7.969
1.00
0.00

ATOM
1469
HH
TYR
88
−17.473
2.584
−8.378
1.00
0.00

ATOM
1470
C
TYR
88
−14.010
6.137
3.368
1.00
0.00

ATOM
1471
O
TYR
88
−14.555
5.265
−2.691
1.00
0.00

ATOM
1472
N
ASN
89
−14.187
7.439
−3.150
1.00
0.00

ATOM
1473
HN
ASN
89
−13.737
8.087
−3.727
1.00
0.00

ATOM
1474
CA
ASN
89
−15.038
7.925
−2.070
1.00
0.00

ATOM
1475
HA
ASN
89
−15.652
7.102
−1.736
1.00
0.00

ATOM
1476
CB
ASN
89
−14.185
8.416
−0.899
1.00
0.00

ATOM
1477
HB1
ASN
89
−14.820
8.581
−0.042
1.00
0.00

ATOM
1478
HB2
ASN
89
−13.706
9.344
−1.173
1.00
0.00

ATOM
1479
CG
ASN
89
−13.113
7.419
−0.517
1.00
0.00

ATOM
1480
OD1
ASN
89
−12.001
7.796
−0.149
1.00
0.00

ATOM
1481
ND2
ASN
89
−13.444
6.136
−0.609
1.00
0.00

ATOM
1482
HD21
ASN
89
−12.769
5.467
−0.377
1.00
0.00

ATOM
1483
HD22
ASN
89
−14.348
5.910
−0.912
1.00
0.00

ATOM
1484
C
ASN
89
−15.944
9.048
−2.552
1.00
0.00

ATOM
1485
O
ASN
89
−15.701
10.222
−2.272
1.00
0.00

ATOM
1486
N
ALA
90
−16.997
8.680
−3.372
1.00
0.00

ATOM
1487
HN
ALA
90
−17.141
7.728
−3.456
1.00
0.00

ATOM
1488
CA
ALA
90
−17.954
9.655
−3.783
1.00
0.00

ATOM
1489
HA
ALA
90
−17.486
10.184
−4.599
1.00
0.00

ATOM
1490
CB
ALA
90
−19.185
8.946
−4.326
1.00
0.00

ATOM
1491
HB1
ALA
90
−19.230
7.944
−3.926
1.00
0.00

ATOM
1492
HB2
ALA
90
−19.128
8.901
−5.404
1.00
0.00

ATOM
1493
HB3
ALA
90
−20.072
9.490
−4.035
1.00
0.00

ATOM
1494
C
ALA
90
−18.356
10.662
−2.705
1.00
0.00

ATOM
1495
O
ALA
90
−18.383
11.868
−2.952
1.00
0.00

ATOM
1496
N
PRO
91
−18.657
10.179
−1.487
1.00
0.00

ATOM
1497
CA
PRO
91
−19.087
11.013
−0.381
1.00
0.00

ATOM
1498
HA
PRO
91
−19.505
11.951
−0.717
1.00
0.00

ATOM
1499
CB
PRO
91
−20.176
10.160
0.237
1.00
0.00

ATOM
1500
HB1
PRO
91
−20.271
10.369
1.289
1.00
0.00

ATOM
1501
HB2
PRO
91
−21.115
10.323
−0.263
1.00
0.00

ATOM
1502
CG
PRO
91
−19.704
8.730
0.022
1.00
0.00

ATOM
1503
HG1
PRO
91
−20.537
8.104
−0.258
1.00
0.00

ATOM
1504
HG2
PRO
91
−19.249
8.358
0.929
1.00
0.00

ATOM
1505
CD
PRO
91
−18.679
8.764
−1.094
1.00
0.00

ATOM
1506
HD1
PRO
91
−17.713
8.452
−0.724
1.00
0.00

ATOM
1507
HD2
PRO
91
−18.988
8.139
−1.919
1.00
0.00

ATOM
1508
C
PRO
91
−17.976
11.268
0.633
1.00
0.00

ATOM
1509
O
PRO
91
−18.242
11.671
1.766
1.00
0.00

ATOM
1510
N
GLU
92
−16.736
11.007
0.234
1.00
0.00

ATOM
1511
HN
GLU
92
−16.582
10.671
−0.674
1.00
0.00

ATOM
1512
CA
GLU
92
−15.596
11.174
1.132
1.00
0.00

ATOM
1513
HA
GLU
92
−14.728
10.745
0.654
1.00
0.00

ATOM
1514
CB
GLU
92
−15.340
12.658
1.408
1.00
0.00

ATOM
1515
HB1
GLU
92
−14.454
12.750
2.020
1.00
0.00

ATOM
1516
HB2
GLU
92
−16.183
13.062
1.949
1.00
0.00

ATOM
1517
CG
GLU
92
−15.139
13.487
0.150
1.00
0.00

ATOM
1518
HG1
GLU
92
−15.062
12.821
−0.696
1.00
0.00

ATOM
1519
HG2
GLU
92
−15.993
14.135
0.021
1.00
0.00

ATOM
1520
CD
GLU
92
−13.888
14.343
0.208
1.00
0.00

ATOM
1521
OE1
GLU
92
−13.118
14.335
−0.775
1.00
0.00

ATOM
1522
OE2
GLU
92
−13.679
15.021
1.236
1.00
0.00

ATOM
1523
C
GLU
92
−15.843
10.432
2.436
1.00
0.00

ATOM
1524
O
GLU
92
−15.529
10.925
3.519
1.00
0.00

ATOM
1525
N
SER
93
−16.427
9.248
2.313
1.00
0.00

ATOM
1526
HN
SER
93
−16.649
8.919
1.417
1.00
0.00

ATOM
1527
CA
SER
93
−16.725
8.412
3.463
1.00
0.00

ATOM
1528
HA
SER
93
−17.495
8.899
4.042
1.00
0.00

ATOM
1529
CB
SER
93
−17.234
7.048
2.986
1.00
0.00

ATOM
1530
HB1
SER
93
−17.222
6.350
3.809
1.00
0.00

ATOM
1531
HB2
SER
93
−18.243
7.152
2.615
1.00
0.00

ATOM
1532
OG
SER
93
−16.418
6.536
1.947
1.00
0.00

ATOM
1533
HG
SER
93
−16.849
6.678
1.101
1.00
0.00

ATOM
1534
C
SER
93
−15.490
8.232
4.335
1.00
0.00

ATOM
1535
O
SER
93
−14.447
8.833
4.082
1.00
0.00

ATOM
1536
N
GLU
94
−15.601
7.370
5.338
1.00
0.00

ATOM
1537
HN
GLU
94
−16.455
6.913
5.485
1.00
0.00

ATOM
1538
CA
GLU
94
−14.485
7.092
6.230
1.00
0.00

ATOM
1539
HA
GLU
94
−14.213
8.017
6.717
1.00
0.00

ATOM
1540
CB
GLU
94
−14.901
6.073
7.292
1.00
0.00

ATOM
1541
HB1
GLU
94
−14.489
9.109
7.031
1.00
0.00

ATOM
1542
HB2
GLU
94
−15.979
6.003
7.305
1.00
0.00

ATOM
1543
CG
GLU
94
−14.430
6.427
8.693
1.00
0.00

ATOM
1544
HG1
GLU
94
−13.574
7.082
8.616
1.00
0.00

ATOM
1545
HG2
GLU
94
−15.229
6.939
9.209
1.00
0.00

ATOM
1546
CD
GLU
94
−14.035
5.207
9.502
1.00
0.00

ATOM
1547
OE1
GLU
94
−13.155
5.336
10.379
1.00
0.00

ATOM
1548
OE2
GLU
94
−14.604
5.123
9.257
1.00
0.00

ATOM
1549
C
GLU
94
−13.274
6.569
5.457
1.00
0.00

ATOM
1550
O
GLU
94
−12.160
6.551
5.979
1.00
0.00

ATOM
1551
N
TYR
95
−13.493
6.137
4.214
1.00
0.00

ATOM
1552
HN
TYR
95
−14.397
6.158
3.841
1.00
0.00

ATOM
1553
CA
TYR
95
−12.412
5.611
3.393
1.00
0.00

ATOM
1554
HA
TYR
95
−11.977
4.775
3.916
1.00
0.00

ATOM
1555
CB
TYR
95
−12.947
5.131
2.045
1.00
0.00

ATOM
1556
HB1
TYR
95
−13.630
5.870
1.653
1.00
0.00

ATOM
1557
HB2
TYR
95
−12.119
5.016
1.365
1.00
0.00

ATOM
1558
CG
TYR
95
−13.678
3.807
2.104
1.00
0.00

ATOM
1559
CD1
TYR
95
−13.724
2.972
0.996
1.00
0.00

ATOM
1560
ND1
TYR
95
−13.227
3.279
0.087
1.00
0.00

ATOM
1561
CD2
TYR
95
−14.325
3.394
3.263
1.00
0.00

ATOM
1562
HD2
TYR
95
−14.303
4.030
4.132
1.00
0.00

ATOM
1563
CE1
TYR
95
−14.390
1.762
1.040
1.00
0.00

ATOM
1564
HE1
TYR
95
−14.413
1.126
0.167
1.00
0.00

ATOM
1565
CE2
TYR
95
−14.994
2.187
3.314
1.00
0.00

ATOM
1566
HE2
TYR
95
−15.487
1.884
4.227
1.00
0.00

ATOM
1567
CZ
TYR
95
−15.022
1.374
2.202
1.00
0.00

ATOM
1568
OH
TYR
95
−15.687
0.170
2.250
1.00
0.00

ATOM
1569
HH
TYR
95
−15.095
−0.534
1.974
1.00
0.00

ATOM
1570
C
TYR
95
−11.338
6.671
3.177
1.00
0.00

ATOM
1571
O
TYR
95
−10.170
6.352
2.951
1.00
0.00

ATOM
1572
N
TYR
96
−11.743
7.934
3.243
1.00
0.00

ATOM
1573
HN
TYR
96
−12.684
8.125
3.432
1.00
0.00

ATOM
1574
CA
TYR
96
−10.816
9.045
3.073
1.00
0.00

ATOM
1575
HA
TYR
96
−10.140
8.795
2.268
1.00
0.00

ATOM
1576
CB
TYR
96
−11.579
10.321
2.712
1.00
0.00

ATOM
1577
HB1
TYR
96
−12.376
10.073
2.027
1.00
0.00

ATOM
1578
HB2
TYR
96
−12.001
10.745
3.611
1.00
0.00

ATOM
1579
CG
TYR
96
−10.717
11.378
2.060
1.00
0.00

ATOM
1580
CD1
TYR
96
−10.257
11.219
0.759
1.00
0.00

ATOM
1581
HD1
TYR
96
−10.524
10.326
0.213
1.00
0.00

ATOM
1582
CD2
TYR
96
−10.364
12.533
2.745
1.00
0.00

ATOM
1583
HD2
TYR
96
−10.714
12.672
3.758
1.00
0.00

ATOM
1584
CE1
TYR
96
−9.471
12.183
0.159
1.00
0.00

ATOM
1585
HE1
TYR
96
−9.120
12.039
−0.952
1.00
0.00

ATOM
1586
CE2
TYR
96
−9.576
13.501
2.152
1.00
0.00

ATOM
1587
HE2
TYR
96
−9.312
14.393
2.701
1.00
0.00

ATOM
1588
CZ
TYR
96
−9.131
13.320
0.859
1.00
0.00

ATOM
1589
OH
TYR
96
−8.347
14.782
0.265
1.00
0.00

ATOM
1590
HH
TYR
96
−8.832
14.690
−0.456
1.00
0.00

ATOM
1591
C
TYR
96
−10.009
9.267
4.346
1.00
0.00

ATOM
1592
O
TYR
96
−8.884
9.764
4.303
1.00
0.00

ATOM
1593
N
LYS
97
−10.593
8.888
5.478
1.00
0.00

ATOM
1594
HN
LYS
97
−11.496
8.503
5.445
1.00
0.00

ATOM
1595
CA
LYS
97
−9.937
9.050
6.771
1.00
0.00

ATOM
1596
HA
LYS
97
−9.515
10.043
6.806
1.00
0.00

ATOM
1597
CB
LYS
97
−10.960
8.901
7.898
1.00
0.00

ATOM
1598
HB1
LYS
97
−11.380
7.906
7.859
1.00
0.00

ATOM
1599
HB2
LYS
97
−10.457
9.033
8.845
1.00
0.00

ATOM
1600
CG
LYS
97
−12.100
9.903
7.820
1.00
0.00

ATOM
1601
HG1
LYS
97
−12.840
9.537
7.124
1.00
0.00

ATOM
1602
HG2
LYS
97
−11.711
10.849
7.473
1.00
0.00

ATOM
1603
CD
LYS
97
−12.756
10.107
9.176
1.00
0.00

ATOM
1604
HD1
LYS
97
−13.665
10.674
9.042
1.00
0.00

ATOM
1605
HD2
LYS
97
−12.990
9.142
9.601
1.00
0.00

ATOM
1606
CE
LYS
97
−11.842
10.857
10.131
1.00
0.00

ATOM
1607
HE1
LYS
97
−10.927
11.105
9.614
1.00
0.00

ATOM
1608
HE2
LYS
97
−11.618
10.218
10.972
1.00
0.00

ATOM
1609
NZ
LYS
97
−12.471
12.111
10.629
1.00
0.00

ATOM
1610
HZ1
LYS
97
−11.831
12.917
10.676
1.00
0.00

ATOM
1611
HZ2
LYS
97
−12.672
12.031
11.646
1.00
0.00

ATOM
1612
HZ3
LYS
97
−13.362
12.289
10.123
1.00
0.00

ATOM
1613
C
LYS
97
−8.816
9.031
6.955
1.00
0.00

ATOM
1614
O
LYS
97
−7.664
8.395
7.189
1.00
0.00

ATOM
1615
N
CYS
98
−9.167
6.753
6.861
1.00
0.00

ATOM
1616
HN
CYS
98
−10.105
6.529
6.684
1.00
0.00

ATOM
1617
CA
CYS
98
−8.203
5.671
7.039
1.00
0.00

ATOM
1618
HA
CYS
98
−7.970
5.609
8.092
1.00
0.00

ATOM
1619
CB
CYS
98
−8.816
4.348
6.588
1.00
0.00

ATOM
1620
HB1
CYS
98
−8.039
3.600
6.511
1.00
0.00

ATOM
1621
HB2
CYS
98
−9.554
4.040
7.311
1.00
0.00

ATOM
1622
SG
CYS
98
−9.627
4.426
4.976
1.00
0.00

ATOM
1623
HG
CYS
98
−10.366
5.034
5.045
1.00
0.00

ATOM
1624
C
CYS
98
−6.914
5.931
6.268
1.00
0.00

ATOM
1625
O
CYS
98
−5.817
5.796
6.814
1.00
0.00

ATOM
1626
N
ALA
99
−7.045
6.278
4.991
1.00
0.00

ATOM
1627
HN
ALA
99
−7.939
6.375
4.607
1.00
0.00

ATOM
1628
CA
ALA
99
−5.885
6.551
4.158
1.00
0.00

ATOM
1629
HA
ALA
99
−5.339
5.629
4.029
1.00
0.00

ATOM
1630
CB
ALA
99
−6.319
7.042
2.785
1.00
0.00

ATOM
1631
HB1
ALA
99
−6.855
6.255
2.275
1.00
0.00

ATOM
1632
HB2
ALA
99
−5.448
7.317
2.209
1.00
0.00

ATOM
1633
HB3
ALA
99
−6.963
7.902
2.897
1.00
0.00

ATOM
1634
C
ALA
99
−4.977
7.570
4.828
1.00
0.00

ATOM
1635
O
ALA
99
−3.764
7.398
4.871
1.00
0.00

ATOM
1636
N
ASN
100
−5.581
8.613
5.379
1.00
0.00

ATOM
1637
HN
ASN
100
−6.555
8.685
5.321
1.00
0.00

ATOM
1638
CA
ASN
100
−4.826
9.660
6.054
1.00
0.00

ATOM
1639
HA
ASN
100
−4.202
10.142
5.316
1.00
0.00

ATOM
1640
CB
ASN
100
−5.778
10.695
6.658
1.00
0.00

ATOM
1641
HB1
ASN
100
−6.720
10.660
6.130
1.00
0.00

ATOM
1642
HB2
ASN
100
−5.943
10.459
7.699
1.00
0.00

ATOM
1643
CG
ASN
100
−5.230
12.106
6.568
1.00
0.00

ATOM
1644
OD1
ASN
100
−5.097
12.798
7.577
1.00
0.00

ATOM
1645
ND2
ASN
100
−4.910
12.541
5.354
1.00
0.00

ATOM
1646
ND21
ASN
100
−4.553
13.449
5.267
1.00
0.00

ATOM
1647
ND22
ASN
100
−5.042
11.934
4.595
1.00
0.00

ATOM
1648
C
ASN
100
−3.935
9.073
7.144
1.00
0.00

ATOM
1649
O
ASN
100
−2.862
9.602
7.434
1.00
0.00

ATOM
1650
N
ILE
101
−4.386
7.975
7.743
1.00
0.00

ATOM
1651
HN
ILE
101
−5.248
7.599
7.467
1.00
0.00

ATOM
1652
CA
ILE
101
−3.630
7.318
8.803
1.00
0.00

ATOM
1653
HA
ILE
101
−3.193
8.088
9.422
1.00
0.00

ATOM
1654
CB
ILE
101
−4.541
6.453
9.691
1.00
0.00

ATOM
1655
HB
ILE
101
−4.890
5.616
9.105
1.00
0.00

ATOM
1656
CG1
ILE
101
−5.743
7.374
10.166
1.00
0.00

ATOM
1657
HG11
ILE
101
−6.325
7.575
9.308
1.00
0.00

ATOM
1658
HG12
ILE
101
−5.387
8.153
10.682
1.00
0.00

ATOM
1659
CG2
ILE
101
−3.761
5.909
10.879
1.00
0.00

ATOM
1660
HG21
ILE
101
−4.431
5.373
11.534
1.00
0.00

ATOM
1661
HG22
ILE
101
−3.308
6.727
11.418
1.00
0.00

ATOM
1662
HG23
ILE
101
−2.990
5.240
10.526
1.00
0.00

ATOM
1663
CD1
ILE
101
−6.658
6.523
11.107
1.00
0.00

ATOM
1664
HD11
ILE
101
−7.168
7.226
11.749
1.00
0.00

ATOM
1665
HD12
ILE
101
−6.075
5.842
11.709
1.00
0.00

ATOM
1666
HD13
ILE
101
−7.384
5.966
10.534
1.00
0.00

ATOM
1667
C
ILE
101
−2.511
6.457
8.226
1.00
0.00

ATOM
1668
O
ILE
101
−1.335
6.807
8.332
1.00
0.00

ATOM
1669
N
LEU
102
−2.876
5.343
7.590
1.00
0.00

ATOM
1670
HN
LEU
102
−3.829
5.117
7.527
1.00
0.00

ATOM
1671
CA
LEU
102
−1.886
4.457
6.972
1.00
0.00

ATOM
1672
HA
LEU
102
−1.350
3.953
7.763
1.00
0.00

ATOM
1673
CB
LEU
102
−2.569
3.416
6.082
1.00
0.00

ATOM
1674
HB1
LEU
102
−3.630
3.443
6.283
1.00
0.00

ATOM
1675
HB2
LEU
102
−2.408
3.700
5.053
1.00
0.00

ATOM
1676
CG
LEU
102
−2.083
1.971
6.260
1.00
0.00

ATOM
1677
HG
LEU
102
−2.423
1.382
5.420
1.00
0.00

ATOM
1678
CD1
LEU
102
−2.676
1.364
7.523
1.00
0.00

ATOM
1679
HD11
LEU
102
−1.943
1.195
8.316
1.00
0.00

ATOM
1680
HD12
LEU
102
−2.958
0.338
7.332
1.00
0.00

ATOM
1681
HD13
LEU
102
−3.549
1.928
7.818
1.00
0.00

ATOM
1682
CD2
LEU
102
−0.559
1.903
6.250
1.00
0.00

ATOM
1683
HD21
LEU
102
−0.147
2.788
5.827
1.00
0.00

ATOM
1684
HD22
LEU
102
−0.224
1.027
5.749
1.00
0.00

ATOM
1685
HD23
LEU
102
−0.220
1.841
7.313
1.00
0.00

ATOM
1686
C
LEU
102
−0.897
5.265
6.139
1.00
0.00

ATOM
1687
O
LEU
102
0.301
4.991
6.137
1.00
0.00

ATOM
1688
N
GLU
103
−1.414
6.266
5.433
1.00
0.00

ATOM
1689
HN
GLU
103
−2.377
6.439
5.484
1.00
0.00

ATOM
1690
CA
GLU
103
−0.581
7.132
4.612
1.00
0.00

ATOM
1691
HA
GLU
103
−0.056
6.514
3.900
1.00
0.00

ATOM
1692
CB
GLU
103
−1.446
8.146
3.857
1.00
0.00

ATOM
1693
HB1
GLU
103
−1.912
8.808
4.572
1.00
0.00

ATOM
1694
HB2
GLU
103
−2.220
7.612
3.320
1.00
0.00

ATOM
1695
CG
GLU
103
−0.670
8.991
2.860
1.00
0.00

ATOM
1696
HG1
GLU
103
−1.083
8.832
1.874
1.00
0.00

ATOM
1697
HG2
GLU
103
0.364
8.680
2.871
1.00
0.00

ATOM
1698
CD
GLU
103
−0.734
10.472
3.178
1.00
0.00

ATOM
1699
OE1
GLU
103
−1.856
10.996
3.342
1.00
0.00

ATOM
1700
OE2
GLU
103
0.337
11.108
3.264
1.00
0.00

ATOM
1701
C
GLU
103
0.439
7.258
5.478
1.00
0.00

ATOM
1702
O
GLU
103
1.644
7.658
5.336
1.00
0.00

ATOM
1703
N
LYS
104
−0.052
8.675
6.405
1.00
0.00

ATOM
1704
HN
LYS
104
−1.024
8.786
6.480
1.00
0.00

ATOM
1705
CA
LYS
104
0.821
9.417
7.306
1.00
0.00

ATOM
1706
HA
LYS
104
1.329
10.172
4.725
1.00
0.00

ATOM
1707
CB
LYS
104
−0.003
10.100
8.399
1.00
0.00

ATOM
1708
HB1
LYS
104
−0.949
9.589
8.492
1.00
0.00

ATOM
1709
HB2
LYS
104
0.530
10.024
9.335
1.00
0.00

ATOM
1710
CG
LYS
104
−0.278
11.569
6.125
1.00
0.00

ATOM
1711
HG1
LYS
104
0.635
12.128
8.261
1.00
0.00

ATOM
1712
HG2
LYS
104
−1.026
11.920
8.820
1.00
0.00

ATOM
1713
CD
LYS
104
−0.782
11.786
6.708
1.00
0.00

ATOM
1714
HD1
LYS
104
−0.960
10.824
6.248
1.00
0.00

ATOM
1715
HD2
LYS
104
−0.031
12.322
6.147
1.00
0.00

ATOM
1716
CE
LYS
104
−2.073
12.589
6.695
1.00
0.00

ATOM
1717
HE1
LYS
104
−2.601
12.384
5.775
1.00
0.00

ATOM
1718
HE2
LYS
104
−2.680
12.283
7.534
1.00
0.00

ATOM
1719
NZ
LYS
104
−1.817
14.053
6.791
1.00
0.00

ATOM
1720
HZ1
LYS
104
−2.239
14.433
7.661
1.00
0.00

ATOM
1721
HZ2
LYS
104
−2.213
14.543
5.973
1.00
0.00

ATOM
1722
HZ3
LYS
104
−0.793
14.236
6.806
1.00
0.00

ATOM
1723
C
LYS
104
1.860
8.497
7.941
1.00
0.00

ATOM
1724
O
LYS
104
2.995
8.903
8.104
1.00
0.00

ATOM
1725
N
PHE
105
1.460
7.259
8.213
1.00
0.00

ATOM
1726
HN
PHE
105
0.540
6.997
7.997
1.00
0.00

ATOM
1727
CA
PHE
105
2.351
6.279
8.824
1.00
0.00

ATOM
1728
HA
PHE
105
2.951
6.790
9.562
1.00
0.00

ATOM
1729
CB
PHE
105
1.536
5.184
9.515
1.00
0.00

ATOM
1730
HB1
PHE
105
2.007
4.228
9.138
1.00
0.00

ATOM
1731
HB2
PHE
105
0.540
5.171
9.097
1.00
0.00

ATOM
1732
CG
PHE
105
1.411
5.369
11.001
1.00
0.00

ATOM
1733
CD1
PHE
105
0.521
6.294
11.524
1.00
0.00

ATOM
1734
HD1
PHE
105
−0.083
6.887
10.853
1.00
0.00

ATOM
1735
CD2
PHE
105
2.177
4.614
11.874
1.00
0.00

ATOM
1736
HD2
PHE
105
2.872
3.889
11.478
1.00
0.00

ATOM
1737
CE1
PHE
105
0.400
6.465
12.890
1.00
0.00

ATOM
1738
HE1
PHE
105
−0.296
7.190
13.285
1.00
0.00

ATOM
1739
CE2
PHE
105
2.061
4.780
13.241
1.00
0.00

ATOM
1740
HE2
PHE
105
2.665
4.186
13.911
1.00
0.00

ATOM
1741
CZ
PHE
105
1.172
5.707
13.750
1.00
0.00

ATOM
1742
HZ
PHE
105
1.079
5.838
14.818
1.00
0.00

ATOM
1743
C
PHE
105
3.279
5.655
7.785
1.00
0.00

ATOM
1744
O
PHE
105
4.491
5.871
7.808
1.00
0.00

ATOM
1745
N
PHE
106
2.702
4.870
6.882
1.00
0.00

ATOM
1746
HN
PHE
106
1.732
4.732
6.922
1.00
0.00

ATOM
1747
CA
PHE
106
3.670
4.199
5.841
1.00
0.00

ATOM
1748
HA
PHE
106
4.078
3.441
6.316
1.00
0.00

ATOM
1749
CB
PHE
106
2.532
3.526
4.839
1.00
0.00

ATOM
1750
HB1
PHE
106
1.891
2.844
5.366
1.00
0.00

ATOM
1751
HB2
PHE
106
1.937
4.281
4.351
1.00
0.00

ATOM
1752
CG
PHE
106
3.254
2.755
3.777
1.00
0.00

ATOM
1753
CD1
PHE
106
3.931
1.590
4.091
1.00
0.00

ATOM
1754
HD1
PHE
106
3.928
1.235
5.109
1.00
0.00

ATOM
1755
CD2
PHE
106
3.267
3.202
2.469
1.00
0.00

ATOM
1756
HD2
PHE
106
2.743
4.111
2.214
1.00
0.00

ATOM
1757
CE1
PHE
106
4.601
0.879
3.318
1.00
0.00

ATOM
1758
HE1
PHE
106
5.122
−0.029
3.376
1.00
0.00

ATOM
1759
CE2
PHE
106
3.941
2.500
1.491
1.00
0.00

ATOM
1760
HE2
PHE
106
3.935
2.853
0.471
1.00
0.00

ATOM
1761
CZ
PHE
106
4.605
1.334
1.814
1.00
0.00

ATOM
1762
HZ
PHE
106
5.125
0.780
1.050
1.00
0.00

ATOM
1763
C
PHE
106
4.388
5.173
5.110
1.00
0.00

ATOM
1764
O
PHE
106
5.610
5.033
5.148
1.00
0.00

ATOM
1765
N
PHE
107
3.795
6.155
4.434
1.00
0.00

ATOM
1766
HN
PHE
107
2.814
6.212
4.432
1.00
0.00

ATOM
1767
CA
PHE
107
4.575
7.140
3.686
1.00
0.00

ATOM
1768
HA
PHE
107
5.076
6.616
2.885
1.00
0.00

ATOM
1769
CB
PHE
107
3.662
8.212
3.077
1.00
0.00

ATOM
1770
HB1
PHE
107
2.932
8.150
3.811
1.00
0.00

ATOM
1771
HB2
PHE
107
4.263
9.070
2.810
1.00
0.00

ATOM
1772
CG
PHE
107
2.918
7.770
1.838
1.00
0.00

ATOM
1773
CD1
PHE
107
3.038
6.475
1.348
1.00
0.00

ATOM
1774
HD1
PHE
107
3.674
5.771
1.863
1.00
0.00

ATOM
1775
CD2
PHE
107
2.098
8.660
1.160
1.00
0.00

ATOM
1776
HD2
PHE
107
1.995
9.670
1.528
1.00
0.00

ATOM
1777
CE1
PHE
107
2.356
6.080
0.214
1.00
0.00

ATOM
1778
HE1
PHE
107
2.460
5.069
−0.154
1.00
0.00

ATOM
1779
CE2
PHE
107
1.413
8.268
0.025
1.00
0.00

ATOM
1780
HE2
PHE
107
0.777
8.972
−0.492
1.00
0.00

ATOM
1781
CZ
PHE
107
1.542
6.977
−0.449
1.00
0.00

ATOM
1782
HZ
PHE
107
1.007
6.669
−1.336
1.00
0.00

ATOM
1783
C
PHE
107
5.436
7.787
4.571
1.00
0.00

ATOM
1784
O
PHE
107
6.638
8.301
4.075
1.00
0.00

ATOM
1785
N
SER
108
5.411
7.766
5.883
1.00
0.00

ATOM
1786
HN
SER
108
4.619
7.305
6.227
1.00
0.00

ATOM
1787
CA
SER
108
6.391
8.287
6.826
1.00
0.00

ATOM
1788
HA
SER
108
6.835
9.173
6.400
1.00
0.00

ATOM
1789
CB
SER
108
5.730
8.643
8.157
1.00
0.00

ATOM
1790
HB1
SER
108
6.468
8.597
8.942
1.00
0.00

ATOM
1791
HB2
SER
108
4.940
7.938
8.364
1.00
0.00

ATOM
1792
OG
SER
108
5.181
9.949
8.121
1.00
0.00

ATOM
1793
HG
SER
108
4.501
9.993
7.445
1.00
0.00

ATOM
1794
C
SER
108
7.471
7.243
7.042
1.00
0.00

ATOM
1795
O
SER
108
8.647
7.561
7.216
1.00
0.00

ATOM
1796
N
LYS
109
7.049
5.986
6.994
1.00
0.00

ATOM
1797
HN
LYS
109
6.100
5.811
6.828
1.00
0.00

ATOM
1798
CA
LYS
109
7.953
4.860
7.124
1.00
0.00

ATOM
1799
HA
LYS
109
8.629
5.053
7.951
1.00
0.00

ATOM
1800
CB
LYS
109
7.149
3.591
7.401
1.00
0.00

ATOM
1801
HB1
LYS
109
6.255
3.607
6.795
1.00
0.00

ATOM
1802
HB2
LYS
109
7.741
2.737
7.126
1.00
0.00

ATOM
1803
CG
LYS
109
6.734
3.440
8.856
1.00
0.00

ATOM
1804
HG1
LYS
109
5.820
2.866
8.902
1.00
0.00

ATOM
1805
HG2
LYS
109
6.566
4.421
9.276
1.00
0.00

ATOM
1806
CD
LYS
109
7.802
2.732
9.670
1.00
0.00

ATOM
1807
HD1
LYS
109
8.751
3.219
9.500
1.00
0.00

ATOM
1808
HD2
LYS
109
7.544
2.794
10.717
1.00
0.00

ATOM
1809
CE
LYS
109
7.919
1.269
9.276
1.00
0.00

ATOM
1810
HE1
LYS
109
6.930
0.835
9.254
1.00
0.00

ATOM
1811
HE2
LYS
109
8.359
1.209
8.292
1.00
0.00

ATOM
1812
NZ
LYS
109
8.763
0.502
10.233
1.00
0.00

ATOM
1813
HZ1
LYS
109
8.800
−0.499
9.955
1.00
0.00

ATOM
1814
HZ2
LYS
109
8.368
0.570
11.192
1.00
0.00

ATOM
1815
HZ3
LYS
109
9.731
0.883
10.241
1.00
0.00

ATOM
1816
C
LYS
109
8.769
4.700
5.846
1.00
0.00

ATOM
1817
O
LYS
109
9.948
4.348
5.982
1.00
0.00

ATOM
1818
N
ILE
110
8.127
4.989
4.717
1.00
0.00

ATOM
1819
HN
ILE
110
7.193
5.283
4.765
1.00
0.00

ATOM
1820
CA
ILE
110
8.780
4.928
3.416
1.00
0.00

ATOM
1821
HA
ILE
110
8.993
3.891
3.187
1.00
0.00

ATOM
1822
CE
ILE
110
7.850
5.488
2.313
1.00
0.00

ATOM
1823
HB
ILE
110
7.508
6.464
2.626
1.00
0.00

ATOM
1824
CG1
ILE
110
6.640
4.570
2.129
1.00
0.00

ATOM
1825
HG11
ILE
110
5.898
5.077
1.532
1.00
0.00

ATOM
1826
HG12
ILE
110
6.221
4.342
3.093
1.00
0.00

ATOM
1827
CG2
ILE
110
8.593
5.651
0.996
1.00
0.00

ATOM
1828
HG21
ILE
110
8.729
6.702
0.786
1.00
0.00

ATOM
1829
HG22
ILE
110
8.022
5.196
0.201
1.00
0.00

ATOM
1830
HG23
ILE
110
9.556
5.169
1.070
1.00
0.00

ATOM
1831
CD1
ILE
110
6.973
3.260
1.449
1.00
0.00

ATOM
1832
HD11
ILE
110
6.748
2.442
2.117
1.00
0.00

ATOM
1833
HD12
ILE
110
8.023
3.242
1.201
1.00
0.00

ATOM
1834
HD13
ILE
110
6.288
3.162
0.548
1.00
0.00

ATOM
1835
C
ILE
110
10.088
5.717
3.438
1.00
0.00

ATOM
1836
O
ILE
110
11.129
5.225
3.008
1.00
0.00

ATOM
1837
N
LYS
111
10.018
6.946
3.946
1.00
0.00

ATOM
1838
HN
LYS
111
9.153
7.278
4.263
1.00
0.00

ATOM
1839
CA
LYS
111
11.184
7.828
4.017
1.00
0.00

ATOM
1840
HA
LYS
111
11.336
8.250
3.035
1.00
0.00

ATOM
1841
CB
LYS
111
10.921
8.963
5.009
1.00
0.00

ATOM
1842
HB1
LYS
111
11.572
8.840
5.861
1.00
0.00

ATOM
1843
HB2
LYS
111
9.894
8.907
5.340
1.00
0.00

ATOM
1844
CG
LYS
111
11.156
10.346
4.425
1.00
0.00

ATOM
1845
HG1
LYS
111
11.692
10.245
3.493
1.00
0.00

ATOM
1846
HG2
LYS
111
11.746
10.925
5.121
1.00
0.00

ATOM
1847
CD
LYS
111
9.847
11.073
4.164
1.00
0.00

ATOM
1848
HD1
LYS
111
10.065
12.076
3.827
1.00
0.00

ATOM
1849
HD2
LYS
111
9.280
11.114
5.083
1.00
0.00

ATOM
1850
CE
LYS
111
9.018
10.367
3.104
1.00
0.00

ATOM
1851
HE1
LYS
111
8.683
9.419
3.498
1.00
0.00

ATOM
1852
HE2
LYS
111
9.636
10.195
2.235
1.00
0.00

ATOM
1853
NZ
LYS
111
7.830
11.169
2.702
1.00
0.00

ATOM
1854
HZ1
LYS
111
7.360
11.540
3.543
1.00
0.00

ATOM
1855
HZ2
LYS
111
7.151
10.571
2.187
1.00
0.00

ATOM
1856
HZ3
LYS
111
8.121
11.954
2.084
1.00
0.00

ATOM
1857
C
LYS
111
12.448
7.070
4.425
1.00
0.00

ATOM
1858
O
LYS
111
13.491
7.199
3.785
1.00
0.00

ATOM
1859
N
GLU
112
12.347
6.285
5.491
1.00
0.00

ATOM
1860
HN
GLU
112
11.489
6.225
5.962
1.00
0.00

ATOM
1861
CA
GLU
112
13.485
5.516
5.983
1.00
0.00

ATOM
1862
HA
GLU
112
14.297
6.205
6.161
1.00
0.00

ATOM
1863
CB
GLU
112
13.126
4.819
7.296
1.00
0.00

ATOM
1864
HB1
GLU
112
12.159
4.250
7.189
1.00
0.00

ATOM
1865
HB2
GLU
112
13.864
4.058
7.500
1.00
0.00

ATOM
1866
CG
GLU
112
13.070
5.760
8.489
1.00
0.00

ATOM
1867
HG1
GLU
112
12.440
5.320
9.249
1.00
0.00

ATOM
1868
HG2
GLU
112
12.644
6.700
8.169
1.00
0.00

ATOM
1869
CD
GLU
112
14.437
6.026
9.087
1.00
0.00

ATOM
1870
OE1
GLU
112
14.842
5.277
10.001
1.00
0.00

ATOM
1871
OE2
GLU
112
15.203
6.984
8.641
1.00
0.00

ATOM
1872
C
GLU
112
13.934
4.484
4.954
1.00
0.00

ATOM
1873
O
GLU
112
15.128
4.228
4.798
1.00
0.00

ATOM
1874
N
ALA
113
12.970
3.892
4.257
1.00
0.00

ATOM
1875
HN
ALA
113
12.037
4.130
4.430
1.00
0.00

ATOM
1876
CA
ALA
113
13.263
2.883
3.245
1.00
0.00

ATOM
1877
HA
ALA
113
14.151
2.356
3.550
1.00
0.00

ATOM
1878
CB
ALA
113
12.120
1.872
3.167
1.00
0.00

ATOM
1879
HB1
ALA
113
11.209
2.380
2.915
1.00
0.00

ATOM
1880
HB2
ALA
113
12.018
1.381
4.123
1.00
0.00

ATOM
1881
HB3
ALA
113
12.353
1.136
2.409
1.00
0.00

ATOM
1882
C
ALA
113
13.513
3.512
1.873
1.00
0.00

ATOM
1883
O
ALA
113
13.917
2.823
0.936
1.00
0.00

ATOM
1884
N
GLY
114
13.276
4.818
1.753
1.00
0.00

ATOM
1885
HN
GLY
114
12.946
5.324
2.523
1.00
0.00

ATOM
1886
CA
GLY
114
13.468
5.488
0.480
1.00
0.00

ATOM
1887
HA1
GLY
114
14.518
5.464
0.226
1.00
0.00

ATOM
1888
HA2
GLY
114
13.152
6.516
0.573
1.00
0.00

ATOM
1889
C
GLY
114
12.679
4.830
−0.634
1.00
0.00

ATOM
1890
O
GLY
114
13.227
4.056
−1.417
1.00
0.00

ATOM
1891
N
LEU
115
11.383
5.123
−0.690
1.00
0.00

ATOM
1892
HN
LEU
115
11.006
5.743
−0.033
1.00
0.00

ATOM
1893
CA
LEU
115
10.508
4.534
−1.697
1.00
0.00

ATOM
1894
HA
LEU
115
11.123
4.100
−2.150
1.00
0.00

ATOM
1895
CB
LEU
115
9.724
3.363
−1.104
1.00
0.00

ATOM
1896
HB1
LEU
115
9.340
3.668
−0.144
1.00
0.00

ATOM
1897
HB2
LEU
115
8.890
3.167
−1.754
1.00
0.00

ATOM
1898
CG
LEU
115
10.497
2.058
−0.907
1.00
0.00

ATOM
1899
HG
LEU
115
9.793
1.246
−0.833
1.00
0.00

ATOM
1900
CD1
LEU
115
11.280
2.102
0.391
1.00
0.00

ATOM
1901
HD11
LEU
115
10.719
1.597
1.166
1.00
0.00

ATOM
1902
HD12
LEU
115
11.440
3.130
0.676
1.00
0.00

ATOM
1903
HD13
LEU
115
12.231
1.611
0.255
1.00
0.00

ATOM
1904
CD2
LEU
115
11.414
1.774
−2.087
1.00
0.00

ATOM
1905
HD21
LEU
115
11.066
2.313
−2.953
1.00
0.00

ATOM
1906
HD22
LEU
115
11.409
0.715
−2.298
1.00
0.00

ATOM
1907
HD23
LEU
115
12.418
2.086
−1.846
1.00
0.00

ATOM
1908
C
LEU
115
9.509
5.550
−2.237
1.00
0.00

ATOM
1909
O
LEU
115
9.388
6.653
−1.709
1.00
0.00

ATOM
1910
N
ILE
116
8.752
5.124
−3.252
1.00
0.00

ATOM
1911
HN
ILE
116
8.896
4.217
−3.594
1.00
0.00

ATOM
1912
CA
ILE
116
7.707
5.945
−3.865
1.00
0.00

ATOM
1913
HA
ILE
116
7.395
5.441
−4.768
1.00
0.00

ATOM
1914
CB
ILE
116
6.469
6.061
−2.949
1.00
0.00

ATOM
1915
HB
ILE
116
6.730
6.669
−2.097
1.00
0.00

ATOM
1916
CG1
ILE
116
6.037
4.676
−2.458
1.00
0.00

ATOM
1917
HG11
ILE
116
5.298
4.265
−3.135
1.00
0.00

ATOM
1918
HG12
ILE
116
6.898
4.026
−2.435
1.00
0.00

ATOM
1919
CG2
ILE
116
5.326
6.743
−3.681
1.00
0.00

ATOM
1920
HG21
ILE
116
5.006
7.609
−3.121
1.00
0.00

ATOM
1921
HG22
ILE
116
4.502
6.052
−3.779
1.00
0.00

ATOM
1922
HG23
ILE
116
5.659
7.058
−4.661
1.00
0.00

ATOM
1923
CD1
ILE
116
5.433
4.694
−1.073
1.00
0.00

ATOM
1924
HD11
ILE
116
6.172
5.032
−0.363
1.00
0.00

ATOM
1925
HD12
ILE
116
5.110
3.691
−0.809
1.00
0.00

ATOM
1926
HD13
ILE
116
4.586
5.363
−1.057
1.00
0.00

ATOM
1927
C
ILE
116
8.213
7.340
−4.246
1.00
0.00

ATOM
1928
O
ILE
116
8.498
7.601
−5.415
1.00
0.00

ATOM
1929
N
ASP
117
8.305
8.240
−3.268
1.00
0.00

ATOM
1930
HN
ASP
117
8.072
7.979
−2.355
1.00
0.00

ATOM
1931
CA
ASP
117
8.776
9.600
−3.515
1.00
0.00

ATOM
1932
HA
ASP
117
8.982
10.054
−2.558
1.00
0.00

ATOM
1933
CB
ASP
117
10.063
9.583
−4.345
1.00
0.00

ATOM
1934
HB1
ASP
117
9.902
10.133
−5.260
1.00
0.00

ATOM
1935
HB2
ASP
117
10.317
8.560
−4.583
1.00
0.00

ATOM
1936
CG
ASP
117
11.233
10.204
−3.610
1.00
0.00

ATOM
1937
OD1
ASP
117
11.577
11.368
−3.920
1.00
0.00

ATOM
1938
OD2
ASP
117
11.804
9.538
−2.724
1.00
0.00

ATOM
1939
C
ASP
117
7.708
10.424
−4.224
1.00
0.00

ATOM
1940
O
ASP
117
8.020
11.293
−5.041
1.00
0.00

ATOM
1941
N
LYS
118
6.446
10.150
−3.906
1.00
0.00

ATOM
1942
HN
LYS
118
6.264
9.447
−3.247
1.00
0.00

ATOM
1943
CA
LYS
118
5.132
10.869
−4.508
1.00
0.00

ATOM
1944
HA
LYS
118
5.635
11.184
−5.496
1.00
0.00

ATOM
1945
CB
LYS
118
4.114
9.952
−4.628
1.00
0.00

ATOM
1946
HB1
LYS
118
3.696
9.798
−3.644
1.00
0.00

ATOM
1947
HB2
LYS
118
4.432
9.001
−5.028
1.00
0.00

ATOM
1948
CG
LYS
118
3.021
10.506
−5.527
1.00
0.00

ATOM
1949
HG1
LYS
118
3.175
10.140
−5.531
1.00
0.00

ATOM
1950
HG2
LYS
118
3.077
11.505
−5.522
1.00
0.00

ATOM
1951
CD
LYS
118
1.642
10.081
−5.053
1.00
0.00

ATOM
1952
HD1
LYS
118
1.422
9.100
−5.449
1.00
0.00

ATOM
1953
HD2
LYS
118
1.637
10.044
−3.974
1.00
0.00

ATOM
1954
CE
LYS
118
0.569
11.052
−5.518
1.00
0.00

ATOM
1955
HE1
LYS
118
−0.025
11.347
−4.666
1.00
0.00

ATOM
1956
HE2
LYS
118
1.048
11.922
−5.942
1.00
0.00

ATOM
1957
NZ
LYS
118
−0.324
10.443
−6.543
1.00
0.00

ATOM
1958
HZ1
LYS
118
−0.734
9.558
−6.180
1.00
0.00

ATOM
1959
HZ2
LYS
118
0.214
10.234
−7.409
1.00
0.00

ATOM
1960
HZ3
LYS
118
−1.097
11.099
−6.778
1.00
0.00

ATOM
1961
C
LYS
118
4.974
12.103
−3.687
1.00
0.00

ATOM
1962
OT1
LYS
118
4.769
13.177
−4.291
1.00
0.00

ATOM
1963
OT2
LYS
118
4.901
11.986
−2.445
1.00
0.00

END

TABLE 6

Atomic Structure Coordinates of the

P/CAF Bromodomain/Acetyl-Histamine Complex

REMARK

FILENAME*‘/bloch2/chris/COMPLEX_XPLOR_ARIA7/structures/it0/complex_03.’REMARK

initial random number seed: 5.960359E+10REMARK

***************************************************************REMARK

overall, bonds, angles, improper, vdw, noe, cd1hREMARK energies: 154.107, 9.85626,

72.1621, 0, 22.2303, 36.0151, 0.204524REMARK

***************************************************************REMARK

bonds, angles, impropers, noe, cd1hREMARK rms-dev.: 2.214961E−03,

0.361077, 52.7899, 1.40651E−02, 0.249335REMARK

***************************************************************REMARK

noe, cd1hREMARK violations.: 2, 0REMARK

***************************************************************REMARK DATE:05-

Dec-98 15:11:47 created by user:
ATOM
1
CA
ACE
200
−14.038

2.661
−4.705
1.00
0.00
AcH
ATOM
2
HA1
ACE
200
−14.803

1.912
−4.558
1.00
0.00
AcH
ATOM
3
HA2
ACE
200
−13.320

2.304
−5.428
1.00
0.00
AcH
ATOM
4
HA3
ACE
200
−14.491

3.572
−5.067
1.00
0.00
AcH
ATOM
5
C
ACE
200
−13.332

2.936
−3.376
1.00
0.00
AcH
ATOM
6
O
ACE
200
−12.385

2.238
−3.012
1.00
0.00
AcH
ATOM
7
N
HIM
201
−13.773

3.967
−2.663
1.00
0.00
AcH
ATOM
8
HN
HIM
201
−13.586

4.875
−2.982
1.00
0.00
AcH
ATOM
9
CA
HIM
201
−14.521

3.827
−1.417
1.00
0.00
AcH
ATOM
10
HA1
HIM
201
−13.833

3.589
−0.620
1.00
0.00
AcH
ATOM
11
HA2
HIM
201
−15.236

3.025
−1.526
1.00
0.00
AcH
ATOM
12
CB
HIM
201
−15.268

5.100
−1.055
1.00
0.00
AcH
ATOM
13
HB1
HIM
201
−14.591

5.940
−1.107
1.00
0.00
AcH
ATOM
14
HB2
HIM
201
−15.669

5.009
−0.056
1.00
0.00
AcH
ATOM
15
CG
HIM
201
−16.397

5.329
−2.010
1.00
0.00
AcH
ATOM
16
ND1
HIM
201
−17.392

6.259
−1.793
1.00
0.00
AcH
ATOM
17
HD1
HIM
201
−17.421

6.906
−1.057
1.00
0.00
AcH
ATOM
18
CD2
HIM
201
−16.680

4.756
−3.204
1.00
0.00
AcH
ATOM
19
HD2
HIM
201
−16.026

4.116
−3.779
1.00
0.00
AcH
ATOM
20
CE1
HIM
201
−18.316

6.135
−2.729
1.00
0.00
AcH
ATOM
21
HE1
HIM
201
−19.220

6.722
−2.806
1.00
0.00
AcH
ATOM
22
NE2
HIM
201
−17.912

5.221
−3.592
1.00
0.00
AcH
ATOM
23
CA
GLY
1
27.272

16.667
−0.366
1.00
0.00
BrD
ATOM
24
HA1
GLY
1
28.103

16.198
−0.871
1.00
0.00
BrD
ATOM
25
HA2
GLY
1
26.478

15.945
−0.255
1.00
0.00
BrD
ATOM
26
C
GLY
1
27.724

17.114
1.011
1.00
0.00
BrD
ATOM
27
O
GLY
1
28.713

17.834
1.144
1.00
0.00
BrD
ATOM
28
N
GLY
1
26.780

17.800
−1.198
1.00
0.00
BrD
ATOM
29
HT1
GLY
1
25.769

17.963
−1.018
1.00
0.00
BrD
ATOM
30
HT2
GLY
1
26.911

17.584
−7.207
1.00
0.00
BrD
ATOM
31
HT3
GLY
1
27.307

18.667
−0.970
1.00
0.00
BrD
ATOM
32
N
SER
2
26.999

16.682
2.037
1.00
0.00
BrD
ATOM
33
HN
SER
2
26.222

16.110
1.866
1.00
0.00
BrD
ATOM
34
CA
SER
2
27.328

17.063
3.411
1.00
0.00
BrD
ATOM
35
HA
SER
2
28.283

17.546
3.401
1.00
0.00
BrD
ATOM
36
CB
SER
2
26.269

17.992
3.975
1.00
0.00
BrD
ATOM
37
HB1
SER
2
26.705

18.588
4.762
1.00
0.00
BrD
ATOM
38
HB2
SER
2
25.448

17.414
4.374
1.00
0.00
BrD
ATOM
39
CG
SER
2
25.771

18.857
2.969
1.00
0.00
BrD
ATOM
40
NG
SER
2
26.478

19.429
2.660
1.00
0.00
BrD
ATOM
41
C
SER
2
27.435

15.801
4.290
1.00
0.00
BrD
ATOM
42
O
SER
2
26.900

14.744
3.956
1.00
0.00
BrD
ATOM
43
N
HIS
3
28.131

15.936
5.415
1.00
0.00
BrD
ATOM
44
HN
HIS
3
28.534

16.803
5.627
1.00
0.00
BrD
ATOM
45
CA
HIS
3
28.308

14.824
6.342
1.00
0.00
BrD
ATOM
46
HA
HIS
3
28.652

13.977
5.775
1.00
0.00
BrD
ATOM
47
CB
HIS
3
29.356

15.176
7.399
1.00
0.00
BrD
ATOM
48
HB1
HIS
3
29.337

14.428
8.178
1.00
0.00
BrD
ATOM
49
HB2
HIS
3
30.333

15.184
6.939
1.00
0.00
BrD
ATOM
50
CG
HIS
3
29.137

16.512
8.039
1.00
0.00
BrD
ATOM
51
ND1
HIS
3
28.235

16.718
9.062
1.00
0.00
BrD
ATOM
52
HD1
HIS
3
27.659

16.035
9.465
1.00
0.00
BrD
ATOM
53
CD2
HIS
3
29.710

17.715
7.796
1.00
0.00
BrD
ATOM
54
HD2
HIS
3
30.468

17.927
7.055
1.00
0.00
BrD
ATOM
55
CE1
HIS
3
28.262

17.991
9.420
1.00
0.00
BrD
ATOM
56
HE1
HIS
3
27.661

18.442
10.196
1.00
0.00
BrD
ATOM
57
NE2
HIS
3
29.148

18.615
5.668
1.00
0.00
BrD
ATOM
58
HE2
HIS
3
29.368

19.568
8.725
1.00
0.00
BrD
ATOM
59
C
HIS
3
26.991

14.463
7.020
1.00
0.00
BrD
ATOM
60
O
HIS
3
26.660

14.998
8.078
1.00
0.00
BrD
ATOM
61
N
MET
4
26.245

13.551
6.405
1.00
0.00
BrD
ATOM
62
HN
MET
4
26.563

13.161
5.565
1.00
0.00
BrD
ATOM
63
CA
MET
4
24.964

13.119
6.951
1.00
0.00
BrD
ATOM
64
HA
MET
4
25.136

12.767
7.958
1.00
0.00
BrD
ATOM
65
CB
MET
4
23.985

14.294
6.994
1.00
0.00
BrD
ATOM
66
HB1
MET
4
24.445

15.111
7.531
1.00
0.00
BrD
ATOM
67
HB2
MET
4
23.776

14.612
5.984
1.00
0.00
BrD
ATOM
68
CG
MET
4
22.665

13.962
7.672
1.00
0.00
BrD
ATOM
69
HG1
MET
4
22.754

14.176
8.727
1.00
0.00
BrD
ATOM
70
HG2
MET
4
22.461

12.911
7.535
1.00
0.00
BrD
ATOM
71
SD
MET
4
21.283

14.909
7.006
1.00
0.00
BrD
ATOM
72
CE
MET
4
22.027

16.531
6.842
1.00
0.00
BrD
ATOM
73
HE1
MET
4
22.811

16.643
7.576
1.00
0.00
BrD
ATOM
74
HE2
MET
4
21.274

17.289
7.000
1.00
0.00
BrD
ATOM
75
HE3
MET
4
22.443

16.638
5.851
1.00
0.00
BrD
ATOM
76
C
MET
4
24.376

11.977
6.126
1.00
0.00
BrD
ATOM
77
O
MET
4
24.580

11.906
4.914
1.00
0.00
BrD
ATOM
78
N
SER
5
23.650

11.084
6.792
1.00
0.00
BrD
ATOM
79
HN
SER
5
23.528

11.194
7.758
1.00
0.00
BrD
ATOM
80
CA
SER
5
23.040

9.939
6.125
1.00
0.00
BrD
ATOM
81
HA
SER
5
23.836

9.303
5.767
1.00
0.00
BrD
ATOM
82
CB
SER
5
22.177

9.148
7.111
1.00
0.00
BrD
ATOM
83
HB1
SER
5
21.179

9.560
7.123
1.00
0.00
BrD
ATOM
84
HB2
SER
5
22.136

8.114
6.801
1.00
0.00
BrD
ATOM
85
CG
SER
5
22.712

9.210
8.421
1.00
0.00
BrD
ATOM
86
HG
SER
5
23.243

8.429
8.589
1.00
0.00
BrD
ATOM
87
C
SER
5
22.194

10.380
4.934
1.00
0.00
BrD
ATOM
88
O
SER
5
21.748

11.525
4.867
1.00
0.00
BrD
ATOM
89
N
LYS
6
21.973

9.460
3.999
1.00
0.00
BrD
ATOM
90
HN
LYS
6
22.355

8.565
4.110
1.00
0.00
BrD
ATOM
91
CA
LYS
6
21.180

9.751
2.811
1.00
0.00
BrD
ATOM
92
HA
LYS
6
20.720

10.720
2.950
1.00
0.00
BrD
ATOM
93
CB
LYS
6
22.078

9.801
1.572
1.00
0.00
BrD
ATOM
94
HB1
LYS
6
21.474

10.056
0.716
1.00
0.00
BrD
ATOM
95
HB2
LYS
6
22.512

8.824
1.418
1.00
0.00
BrD
ATOM
96
CG
LYS
6
23.208

10.813
1.677
1.00
0.00
BrD
ATOM
97
HG1
LYS
6
23.164

11.290
2.645
1.00
0.00
BrD
ATOM
98
HG2
LYS
6
24.151

10.299
1.568
1.00
0.00
BrD
ATOM
99
CD
LYS
6
23.100

11.879
0.598
1.00
0.00
BrD
ATOM
100
HD1
LYS
6
22.401

11.546
−0.155
1.00
0.00
BrD
ATOM
101
HD2
LYS
6
24.072

12.024
0.150
1.00
0.00
BrD
ATOM
102
CE
LYS
6
22.618

13.203
1.168
1.00
0.00
BrD
ATOM
103
HE1
LYS
6
21.595

13.088
1.494
1.00
0.00
BrD
ATOM
104
HE2
LYS
6
22.666

13.953
0.393
1.00
0.00
BrD
ATOM
105
NZ
LYS
6
23.448

13.645
2.322
1.00
0.00
BrD
ATOM
106
HZ1
LYS
6
24.293

13.065
2.406
1.00
0.00
BrD
ATOM
107
HZ2
LYS
6
22.900

13.578
3.204
1.00
0.00
BrD
ATOM
108
HZ3
LYS
6
23.749

14.532
2.189
1.00
0.00
BrD
ATOM
109
C
LYS
6
20.085

8.710
2.613
1.00
0.00
BrD
ATOM
110
O
LYS
6
18.897

9.022
2.693
1.00
0.00
BrD
ATOM
111
N
GLU
7
20.495

7.474
2.334
1.00
0.00
BrD
ATOM
112
HN
GLU
7
21.457

7.295
2.280
1.00
0.00
BrD
ATOM
113
CA
GLU
7
19.558

6.370
2.115
1.00
0.00
BrD
ATOM
114
HA
GLU
7
20.083

5.603
1.565
1.00
0.00
BrD
ATOM
115
CB
GLU
7
19.091

5.783
3.451
1.00
0.00
BrD
ATOM
116
HB1
GLU
7
18.110

5.354
3.317
1.00
0.00
BrD
ATOM
117
HB2
GLU
7
19.777

5.003
3.745
1.00
0.00
BrD
ATOM
118
CG
GLU
7
19.014

6.799
4.579
1.00
0.00
BrD
ATOM
119
HG1
GLU
7
18.377

7.614
4.271
1.00
0.00
BrD
ATOM
120
HG2
GLU
7
20.007

7.173
4.780
1.00
0.00
BrD
ATOM
121
CD
GLU
7
18.452

6.206
5.857
1.00
0.00
BrD
ATOM
122
OE1
GLU
7
17.289

6.511
6.192
1.00
0.00
BrD
ATOM
123
OE2
GLU
7
19.176

5.434
6.521
1.00
0.00
BrD
ATOM
124
C
GLU
7
18.347

6.812
1.290
1.00
0.00
BrD
ATOM
125
O
GLU
7
17.342

7.261
1.840
1.00
0.00
BrD
ATOM
126
N
PRO
8
18.430

6.681
−0.045
1.00
0.00
BrD
ATOM
127
CA
PRO
8
17.346

7.054
−0.951
1.00
0.00
BrD
ATOM
128
HA
PRO
8
16.908

8.003
−0.677
1.00
0.00
BrD
ATOM
129
CB
PRO
8
18.034

7.176
−2.321
1.00
0.00
BrD
ATOM
130
HB1
PRO
8
17.603

6.458
−3.004
1.00
0.00
BrD
ATOM
131
HB2
PRO
8
17.887

8.174
−2.708
1.00
0.00
BrD
ATOM
132
CG
PRO
8
19.488

6.895
−2.087
1.00
0.00
BrD
ATOM
133
HG1
PRO
8
19.876

6.286
−2.890
1.00
0.00
BrD
ATOM
134
HG2
PRO
8
20.034

7.825
−2.026
1.00
0.00
BrD
ATOM
135
CD
PRO
8
19.578

6.155
−0.784
1.00
0.00
BrD
ATOM
136
HD1
PRO
8
20.504

6.384
−0.278
1.00
0.00
BrD
ATOM
137
HD2
PRO
8
19.481

5.090
−0.943
1.00
0.00
BrD
ATOM
138
C
PRO
8
16.259

5.987
−1.000
1.00
0.00
BrD
ATOM
139
O
PRO
8
15.071

6.286
−0.874
1.00
0.00
BrD
ATOM
140
N
ARG
9
16.680

4.740
−1.177
1.00
0.00
BrD
ATOM
141
HN
ARG
9
17.640

4.570
−1.269
1.00
0.00
BrD
ATOM
142
CA
ARG
9
15.754

3.617
−1.241
1.00
0.00
BrD
ATOM
143
HA
ARG
9
15.272

3.529
−0.279
1.00
0.00
BrD
ATOM
144
CB
ARG
9
14.692

3.854
−2.314
1.00
0.00
BrD
ATOM
145
HB1
ARG
9
14.073

2.982
−2.402
1.00
0.00
BrD
ATOM
146
HB2
ARG
9
14.076

4.696
−2.010
1.00
0.00
BrD
ATOM
147
CG
ARG
9
15.272

4.176
−3.684
1.00
0.00
BrD
ATOM
148
HG1
ARG
9
16.153

3.571
−3.837
1.00
0.00
BrD
ATOM
149
HG2
ARG
9
15.539

5.221
−3.721
1.00
0.00
BrD
ATOM
150
CD
ARG
9
14.274

3.882
−4.793
1.00
0.00
BrD
ATOM
151
HD1
ARG
9
13.277

4.055
−4.417
1.00
0.00
BrD
ATOM
152
HD2
ARG
9
14.375

2.848
−5.085
1.00
0.00
BrD
ATOM
153
NE
ARG
9
14.493

4.728
−5.963
1.00
0.00
BrD
ATOM
154
HE
ARG
9
14.761

4.289
−6.797
1.00
0.00
BrD
ATOM
155
CZ
ARG
9
14.350

6.049
−5.955
1.00
0.00
BrD
ATOM
156
NH1
ARG
9
13.988

6.672
−4.842
1.00
0.00
BrD
ATOM
157
NH11
ARG
9
13.823

6.147
−4.006
1.00
0.00
BrD
ATOM
158
NH12
ARG
9
13.880

7.666
−4.837
1.00
0.00
BrD
ATOM
159
NH2
ARG
9
14.567

6.749
−7.059
1.00
0.00
BrD
ATOM
160
HH21
ARG
9
14.458

7.744
−7.051
1.00
0.00
BrD
ATOM
161
HH22
ARG
9
14.840

6.284
−7.901
1.00
0.00
BrD
ATOM
162
C
ARG
9
16.500

2.320
−1.538
1.00
0.00
BrD
ATOM
163
O
ARG
9
17.367

2.278
−2.410
1.00
0.00
BrD
ATOM
164
N
ASP
10
16.159

1.267
−0.803
1.00
0.00
BrD
ATOM
165
HN
ASP
10
15.462

−1.367
−0.123
1.00
0.00
BrD
ATOM
166
CA
ASP
10
16.788

0.038
−0.988
1.00
0.00
BrD
ATOM
167
HA
ASP
10
17.625

−0.088
−1.658
1.00
0.00
BrD
ATOM
168
CB
ASP
10
17.296

0.576
0.350
1.00
0.00
BrD
ATOM
169
HB1
ASP
10
18.082

−0.067
0.715
1.00
0.00
BrD
ATOM
170
HB2
ASP
10
17.688

−1.572
0.204
1.00
0.00
BrD
ATOM
171
CG
ASP
10
16.203

−0.641
1.399
1.00
0.00
BrD
ATOM
172
OD1
ASP
10
16.210

1.595
2.205
1.00
0.00
BrD
ATOM
173
OD2
ASP
10
15.340

−0.262
1.413
1.00
0.00
BrD
ATOM
174
C
ASP
10
15.803

−1.028
−1.606
1.00
0.00
BrD
ATOM
175
O
ASP
10
14.986

−1.622
−0.903
1.00
0.00
BrD
ATOM
176
N
PRO
11
15.866

−1.218
−2.936
1.00
0.00
BrD
ATOM
177
CA
PRO
11
14.974

−2.118
−3.657
1.00
0.00
BrD
ATOM
178
HA
PRO
11
13.975

−2.098
−3.267
1.00
0.00
BrD
ATOM
179
CB
PRO
11
14.958

−1.540
−5.084
1.00
0.00
BrD
ATOM
180
HB1
PRO
11
13.973

−1.156
−5.302
1.00
0.00
BrD
ATOM
181
HB2
PRO
11
15.203

−2.321
−5.789
1.00
0.00
BrD
ATOM
182
CG
PRO
11
15.982

0.403
−5.113
1.00
0.00
BrD
ATOM
183
HG1
PRO
11
15.487

−0.516
−5.149
1.00
0.00
BrD
ATOM
184
HG2
PRO
11
16.620

−0.564
−5.976
1.00
0.00
BrD
ATOM
185
CD
PRO
11
16.792

0.558
−3.852
1.00
0.00
BrD
ATOM
186
HD1
PRO
11
17.066

−0.418
−3.487
1.00
0.00
BrD
ATOM
187
HD2
PRO
11
17.671

−1.163
−4.018
1.00
0.00
BrD
ATOM
188
C
PRO
11
15.488

−3.554
−3.670
1.00
0.00
BrD
ATOM
189
O
PRO
11
15.551

−4.191
−4.721
1.00
0.00
BrD
ATOM
190
N
ASP
12
15.849

−4.061
−2.496
1.00
0.00
BrD
ATOM
191
HN
ASP
12
15.780

−3.506
−1.691
1.00
0.00
BrD
ATOM
192
CA
ASP
12
16.361

−5.421
−2.384
1.00
0.00
BrD
ATOM
193
HA
ASP
12
16.155

−5.927
−3.315
1.00
0.00
BrD
ATOM
194
CB
ASP
12
17.873

−5.399
−2.151
1.00
0.00
BrD
ATOM
195
HB1
ASP
12
18.123

−6.112
−1.380
1.00
0.00
BrD
ATOM
196
HB2
ASP
12
18.167

−4.410
−1.830
1.00
0.00
BrD
ATOM
197
CG
ASP
12
18.657

−5.749
−3.400
1.00
0.00
BrD
ATOM
198
OD1
ASP
12
18.450

−5.084
−4.437
1.00
0.00
BrD
ATOM
199
OD2
ASP
12
19.478

−6.687
−3.342
1.00
0.00
BrD
ATOM
200
C
ASP
12
15.676

−6.179
−1.253
1.00
0.00
BrD
ATOM
201
O
ASP
12
15.106

−7.250
−1.468
1.00
0.00
BrD
ATOM
202
N
GLN
13
15.740

−5.626
−0.047
1.00
0.00
BrD
ATOM
203
HN
GLN
13
16.206

−4.770
0.063
1.00
0.00
BrD
ATOM
204
CA
GLN
13
15.122

−6.258
1.113
1.00
0.00
BrD
ATOM
205
HA
GLN
13
15.336

−7.316
1.069
1.00
0.00
BrD
ATOM
206
CB
GLN
13
15.701

−5.684
2.405
1.00
0.00
BrD
ATOM
207
HB1
GLN
13
16.666

−5.251
2.193
1.00
0.00
BrD
ATOM
208
HB2
GLN
13
15.041

−4.910
2.768
1.00
0.00
BrD
ATOM
209
CG
GLN
13
15.870

−6.719
3.505
1.00
0.00
BrD
ATOM
210
HG1
GLN
13
15.520

−6.297
4.436
1.00
0.00
BrD
ATOM
211
HG2
GLN
13
15.277

−7.587
3.258
1.00
0.00
BrD
ATOM
212
CD
GLN
13
17.313

−7.150
3.683
1.00
0.00
BrD
ATOM
213
OH1
GLN
13
18.036

−6.611
4.520
1.00
0.00
BrD
ATOM
214
NH2
GLN
13
17.739

−8.128
2.892
1.00
0.00
BrD
ATOM
215
HE21
GLN
13
18.668

−8.427
2.985
1.00
0.00
BrD
ATOM
216
HE22
GLN
13
17.108

−8.512
2.248
1.00
0.00
BrD
ATOM
217
C
GLN
13
13.615

−6.060
1.097
1.00
0.00
BrD
ATOM
218
O
GLN
13
12.855

−6.950
1.478
1.00
0.00
BrD
ATOM
219
N
LEU
14
13.291

−4.880
0.662
1.00
0.00
BrD
ATOM
220
HN
LEU
14
13.848

−4.214
0.371
1.00
0.00
BrD
ATOM
221
CA
LEU
14
11.774

−4.558
0.595
1.00
0.00
BrD
ATOM
222
HA
LEU
14
11.303

−4.943
1.487
1.00
0.00
BrD
ATOM
223
CB
LEU
14
11.581

−3.042
0.541
1.00
0.00
BrD
ATOM
224
HB1
LEU
14
12.212

−2.592
1.292
1.00
0.00
BrD
ATOM
225
HB2
LEU
14
10.552

−2.823
0.781
1.00
0.00
BrD
ATOM
226
CG
LEU
14
11.905

−2.399
−0.808
1.00
0.00
BrD
ATOM
227
HG
LEU
14
12.685

−2.967
−1.292
1.00
0.00
BrD
ATOM
228
CD1
LEU
14
12.609

−0.978
−0.615
1.00
0.00
BrD
ATOM
229
HD11
LEU
14
11.569

−0.311
−0.497
1.00
0.00
BrD
ATOM
230
HD12
LEU
14
12.986

−0.682
−1.479
1.00
0.00
BrD
ATOM
231
HD13
LEU
14
13.032

−0.934
0.266
1.00
0.00
BrD
ATOM
232
CD2
LEU
14
10.682

−2.418
−1.709
1.00
0.00
BrD
ATOM
233
HD21
LEU
14
10.185

−1.461
−1.660
1.00
0.00
BrD
ATOM
234
HD22
LEU
14
10.005

−3.192
−1.383
1.00
0.00
BrD
ATOM
235
HD23
LEU
14
10.989

−2.612
−2.727
1.00
0.00
BrD
ATOM
236
C
LEU
14
11.130

−5.209
−0.623
1.00
0.00
BrD
ATOM
237
O
LEU
14
9.989

−5.666
−0.564
1.00
0.00
BrD
ATOM
238
N
TYR
15
11.866

−5.241
−1.729
1.00
0.00
BrD
ATOM
239
HN
TYR
15
12.772

−4.865
−1.714
1.00
0.00
BrD
ATOM
240
CA
TYR
15
11.364

−5.841
−2.959
1.00
0.00
BrD
ATOM
241
HA
TYR
15
10.539

−5.237
−3.312
1.00
0.00
BrD
ATOM
242
CB
TYR
15
12.460

−5.865
−4.029
1.00
0.00
BrD
ATOM
243
HB1
TYR
15
13.317

−6.397
−3.642
1.00
0.00
BrD
ATOM
244
HB2
TYR
15
12.748

−4.850
−4.259
1.00
0.00
BrD
ATOM
245
CG
TYR
15
12.083

−6.533
−5.323
1.00
0.00
BrD
ATOM
246
CD1
TYR
15
12.993

−7.047
−6.197
1.00
0.00
BrD
ATOM
247
HD1
TYR
15
14.040

−6.968
−5.940
1.00
0.00
BrD
ATOM
248
CD2
TYR
15
10.702

−6.642
−5.675
1.00
0.00
BrD
ATOM
249
HD2
TYR
15
9.950

−6.248
−5.008
1.00
0.00
BrD
ATOM
250
CE1
TYR
15
12.620

−7.654
−7.381
1.00
0.00
BrD
ATOM
251
HE1
TYR
15
13.374

−8.049
−8.046
1.00
0.00
BrD
ATOM
252
CE2
TYR
15
10.322

−7.249
−6.857
1.00
0.00
BrD
ATOM
253
HR2
TYR
15
9.275

−7.326
−7.111
1.00
0.00
BrD
ATOM
254
CZ
TYR
15
11.284

−7.752
−7.706
1.00
0.00
BrD
ATOM
255
OH
TYR
15
10.908

−8.358
−8.883
1.00
0.00
BrD
ATOM
256
HH
TYR
15
10.572

−9.238
−8.697
1.00
0.00
BrD
ATOM
257
C
TYR
15
10.859

−7.253
−2.696
1.00
0.00
BrD
ATOM
258
O
TYR
15
9.778

−7.630
−3.146
1.00
0.00
BrD
ATOM
259
N
SER
16
11.641

−8.026
−1.950
1.00
0.00
BrD
ATOM
260
HN
SER
16
12.485

−7.666
−1.605
1.00
0.00
BrD
ATOM
261
CA
SER
16
11.249

−9.384
−1.602
1.00
0.00
BrD
ATOM
262
HA
SER
16
11.148

−9.946
−2.518
1.00
0.00
BrD
ATOM
263
CB
SER
16
12.315

−10.040
−0.722
1.00
0.00
BrD
ATOM
264
HB1
SER
16
12.503

−9.416
0.139
1.00
0.00
BrD
ATOM
265
HB2
SER
16
13.227

−10.155
−1.289
1.00
0.00
BrD
ATOM
266
CG
SER
16
11.892

−11.317
−0.276
1.00
0.00
BrD
ATOM
267
HG
SER
16
12.601

−11.952
−0.405
1.00
0.00
BrD
ATOM
268
C
SER
16
9.909

−9.370
−0.879
1.00
0.00
BrD
ATOM
269
O
SER
16
9.028

−10.182
−1.161
1.00
0.00
BrD
ATOM
270
N
THR
17
9.756

−8.420
0.038
1.00
0.00
BrD
ATOM
271
HN
THR
17
10.493

−7.796
0.207
1.00
0.00
BrD
ATOM
272
CA
THR
17
8.514

−8.269
0.785
1.00
0.00
BrD
ATOM
273
HA
THR
17
8.318

−9.200
1.296
1.00
0.00
BrD
ATOM
274
CB
THR
17
8.656

−7.146
1.820
1.00
0.00
BrD
ATOM
275
HB
THR
17
9.069

−6.275
1.333
1.00
0.00
BrD
ATOM
276
OG1
THR
17
9.539

−7.535
2.857
1.00
0.00
BrD
ATOM
277
HG1
THR
17
10.426

−7.633
2.502
1.00
0.00
BrD
ATOM
278
CG2
THR
17
7.346

−6.733
2.463
1.00
0.00
BrD
ATOM
279
HG21
THR
17
6.714

−7.600
2.589
1.00
0.00
BrD
ATOM
280
HG22
THR
17
6.845

−6.012
1.832
1.00
0.00
BrD
ATOM
281
HG23
THR
17
7.545

−6.289
3.427
1.00
0.00
BrD
ATOM
282
C
THR
17
7.356

−7.971
−0.161
1.00
0.00
BrD
ATOM
283
O
THR
17
6.420

−8.757
−0.277
1.00
0.00
BrD
ATOM
284
N
LEU
18
7.438

−6.832
−0.843
1.00
0.00
BrD
ATOM
285
HN
LEU
18
8.212

−6.247
−0.702
1.00
0.00
BrD
ATOM
286
CA
LEU
18
6.396

−6.414
−1.776
1.00
0.00
BrD
ATOM
287
HA
LEU
18
5.534

−6.122
−1.197
1.00
0.00
BrD
ATOM
288
CB
LEU
18
6.871

−5.218
−2.591
1.00
0.00
BrD
ATOM
289
HB1
LEU
18
7.669

−5.542
−3.243
1.00
0.00
BrD
ATOM
290
HB2
LEU
18
6.049

−4.869
−3.198
1.00
0.00
BrD
ATOM
291
CG
LEU
18
7.377

−4.056
−1.750
1.00
0.00
BrD
ATOM
292
HG
LEU
18
8.301

−4.350
−1.275
1.00
0.00
BrD
ATOM
293
CD1
LEU
18
7.653

−2.840
−2.622
1.00
0.00
BrD
ATOM
294
HD11
LEU
18
6.966

−2.832
−3.455
1.00
0.00
BrD
ATOM
295
HD12
LEU
18
8.667

−2.885
−2.994
1.00
0.00
BrD
ATOM
296
HD13
LEU
18
7.532

−1.941
−2.039
1.00
0.00
BrD
ATOM
297
CD2
LEU
18
6.369

−3.727
−0.658
1.00
0.00
BrD
ATOM
298
HD21
LEU
18
5.417

−4.180
−0.897
1.00
0.00
BrD
ATOM
299
HD22
LEU
18
6.252

−2.657
−0.584
1.00
0.00
BrD
ATOM
300
HD23
LEU
18
6.722

−4.117
0.284
1.00
0.00
BrD
ATOM
301
C
LEU
18
5.998

−7.542
−2.707
1.00
0.00
BrD
ATOM
302
O
LEU
18
4.869

−8.022
−2.667
1.00
0.00
BrD
ATOM
303
N
LYS
19
6.926

−7.967
−3.552
1.00
0.00
BrD
ATOM
304
HN
LYS
19
7.813

−7.550
−3.543
1.00
0.00
BrD
ATOM
305
CA
LYS
19
6.648

−9.050
−4.487
1.00
0.00
BrD
ATOM
306
HA
LYS
19
5.959

−8.673
−5.228
1.00
0.00
BrD
ATOM
307
CB
LYS
19
7.935

−9.498
−5.193
1.00
0.00
BrD
ATOM
308
HB1
LYS
19
7.671

−9.974
−6.126
1.00
0.00
BrD
ATOM
309
HB2
LYS
19
8.535

−8.625
−5.404
1.00
0.00
BrD
ATOM
310
CG
LYS
19
8.785

−10.472
−4.390
1.00
0.00
BrD
ATOM
311
HG1
LYS
19
9.296

−11.438
−4.386
1.00
0.00
BrD
ATOM
312
HG2
LYS
19
8.878

−10.106
−3.378
1.00
0.00
BrD
ATOM
313
CD
LYS
19
10.172

−10.621
−4.992
1.00
0.00
BrD
ATOM
314
HD1
LYS
19
10.575

−9.638
−5.190
1.00
0.00
BrD
ATOM
315
HD2
LYS
19
10.807

−11.137
−4.287
1.00
0.00
BrD
ATOM
316
CE
LYS
19
10.113

−11.409
−6.290
1.00
0.00
BrD
ATOM
317
HE1
LYS
19
9.337

−11.019
−6.908
1.00
0.00
BrD
ATOM
318
HE2
LYS
19
11.077

−11.288
−6.800
1.00
0.00
BrD
ATOM
319
NZ
LYS
19
9.893

−12.858
−6.050
1.00
0.00
BrD
ATOM
320
HZ1
LYS
19
9.982

−13.072
−5.036
1.00
0.00
BrD
ATOM
321
HZ2
LYS
19
10.587

−13.427
−6.576
1.00
0.00
BrD
ATOM
322
HZ3
LYS
19
8.937

−13.119
−6.368
1.00
0.00
BrD
ATOM
323
C
LYS
19
5.988

−10.223
−3.761
1.00
0.00
BrD
ATOM
324
O
LYS
19
5.193

−10.960
−4.341
1.00
0.00
BrD
ATOM
325
N
SER
20
6.299

−10.359
−2.478
1.00
0.00
BrD
ATOM
326
HN
SER
20
6.925

−9.721
−2.061
1.00
0.00
BrD
ATOM
327
CA
SER
20
5.722

−11.425
−1.661
1.00
0.00
BrD
ATOM
328
HA
SER
20
5.660

−12.306
−2.277
1.00
0.00
BrD
ATOM
329
CB
SER
20
6.608

−11.725
−0.449
1.00
0.00
BrD
ATOM
330
HB1
SER
20
7.086

−10.815
−0.120
1.00
0.00
BrD
ATOM
331
HB2
SER
20
5.999

−12.121
0.350
1.00
0.00
BrD
ATOM
332
CG
SER
20
7.610

−12.674
−0.772
1.00
0.00
BrD
ATOM
333
HG
SER
20
7.218

−13.396
−1.269
1.00
0.00
BrD
ATOM
334
C
SER
20
4.316

−11.056
−1.207
1.00
0.00
BrD
ATOM
335
O
SER
20
3.334

−11.659
−1.642
1.00
0.00
BrD
ATOM
336
N
ILE
21
4.218

−10.045
−0.349
1.00
0.00
BrD
ATOM
337
HN
ILE
21
5.031

−9.592
−0.044
1.00
0.00
BrD
ATOM
338
CA
ILE
21
2.919

−9.583
0.129
1.00
0.00
BrD
ATOM
339
HA
ILE
21
2.508

−10.348
0.771
1.00
0.00
BrD
ATOM
340
CB
ILE
21
3.036

−8.280
0.945
1.00
0.00
BrD
ATOM
341
HB
ILE
21
2.050

−7.850
1.036
1.00
0.00
BrD
ATOM
342
CG1
ILE
21
3.956

−7.280
0.240
1.00
0.00
BrD
ATOM
343
HG11
ILE
21
4.639

−6.858
0.962
1.00
0.00
BrD
ATOM
344
HG12
ILE
21
4.519

−7.792
−0.521
1.00
0.00
BrD
ATOM
345
CG2
ILE
21
3.549

−8.579
2.346
1.00
0.00
BrD
ATOM
346
HG21
ILE
21
4.618

−8.431
2.377
1.00
0.00
BrD
ATOM
347
HG22
ILE
21
3.319

−9.603
2.603
1.00
0.00
BrD
ATOM
348
HG23
ILE
21
3.073

−7.915
3.053
1.00
0.00
BrD
ATOM
349
CD1
ILE
21
3.222

−6.140
−0.427
1.00
0.00
BrD
ATOM
350
HD11
ILE
21
3.805

−5.235
−0.338
1.00
0.00
BrD
ATOM
351
HD12
ILE
21
2.264

−4.000
0.051
1.00
0.00
BrD
ATOM
352
HD13
ILE
21
3.075

−6.371
−1.472
1.00
0.00
BrD
ATOM
353
C
ILE
21
1.969

−9.361
−1.044
1.00
0.00
BrD
ATOM
354
O
ILE
21
0.869

−9.901
−1.074
1.00
0.00
BrD
ATOM
355
N
LEU
22
2.433

−8.608
−2.034
1.00
0.00
BrD
ATOM
356
HN
LEU
22
3.325

−8.224
−1.957
1.00
0.00
BrD
ATOM
357
CA
LEU
22
1.648

−8.337
−3.229
1.00
0.00
BrD
ATOM
358
HA
LEU
22
0.757

−7.807
−2.929
1.00
0.00
BrD
ATOM
359
CB
LEU
22
2.451

−7.465
−4.197
1.00
0.00
BrD
ATOM
360
HB1
LEU
22
3.352

−7.996
−4.462
1.00
0.00
BrD
ATOM
361
HB2
LEU
22
2.728

−6.556
−3.683
1.00
0.00
BrD
ATOM
362
CG
LEU
22
1.722

−7.084
−5.486
1.00
0.00
BrD
ATOM
363
HG
LEU
22
1.378

−7.982
−5.977
1.00
0.00
BrD
ATOM
364
CD1
LEU
22
2.665

−6.362
−6.437
1.00
0.00
BrD
ATOM
365
HD11
LEU
22
2.220

−6.324
−7.419
1.00
0.00
BrD
ATOM
366
HD12
LEU
22
3.601

−6.898
−6.492
1.00
0.00
BrD
ATOM
367
HD13
LEU
22
2.845

−5.361
−6.074
1.00
0.00
BrD
ATOM
368
CD2
LEU
22
0.507

−6.222
−5.178
1.00
0.00
BrD
ATOM
369
HD21
LEU
22
0.127

−6.472
−4.199
1.00
0.00
BrD
ATOM
370
HD22
LEU
22
−0.259

−6.401
−5.918
1.00
0.00
BrD
ATOM
371
HD23
LEU
22
0.790

−5.180
−5.199
1.00
0.00
BrD
ATOM
372
C
LEU
22
1.243

−9.636
−3.915
1.00
0.00
BrD
ATOM
373
O
LEU
22
0.086

−9.813
−4.295
1.00
0.00
BrD
ATOM
374
N
GLN
23
2.201

−10.552
−4.058
1.00
0.00
BrD
ATOM
375
HN
GLN
23
3.107

−10.354
−3.735
1.00
0.00
BrD
ATOM
376
CA
GLN
23
1.941

−11.841
−4.695
1.00
0.00
BrD
ATOM
377
HA
GLN
23
1.828

−11.670
−5.754
1.00
0.00
BrD
ATOM
378
CB
GLN
23
3.118

−12.793
−4.464
1.00
0.00
BrD
ATOM
379
HB1
GLN
23
3.720

−12.412
−3.653
1.00
0.00
BrD
ATOM
380
HB2
GLN
23
2.731

−13.763
−4.186
1.00
0.00
BrD
ATOM
381
CG
GLN
23
4.012

−12.969
−5.682
1.00
0.00
BrD
ATOM
382
HG1
GLN
23
4.318

−11.995
−6.035
1.00
0.00
BrD
ATOM
383
HG2
GLN
23
4.986

−13.535
−5.393
1.00
0.00
BrD
ATOM
384
CD
GLN
23
3.316

−13.697
−6.815
1.00
0.00
BrD
ATOM
385
OE1
GLN
23
2.624

−14.692
−6.597
1.00
0.00
BrD
ATOM
386
NE2
GLN
23
3.494

−13.203
−8.034
1.00
0.00
BrD
ATOM
387
HE21
GLN
23
4.058

−12.808
−8.134
1.00
0.00
BrD
ATOM
388
HE22
GLN
23
3.055

−13.654
−8.786
1.00
0.00
BrD
ATOM
389
C
GLN
23
0.655

−12.867
−4.157
1.00
0.00
BrD
ATOM
390
O
GLN
23
−0.207

−12.892
−4.925
1.00
0.00
BrD
ATOM
391
N
GLN
24
0.530

−12.519
−2.833
1.00
0.00
BrD
ATOM
392
HN
GLN
24
1.252

−12.167
−2.269
1.00
0.00
BrD
ATOM
393
CA
GLN
24
−0.654

−13.096
−2.203
1.00
0.00
BrD
ATOM
394
HA
GLN
24
−0.951

−13.947
−2.797
1.00
0.00
BrD
ATOM
395
CB
GLN
24
−0.325

−13.584
−0.783
1.00
0.00
BrD
ATOM
396
HB1
GLN
24
0.666

−14.012
−0.785
1.00
0.00
BrD
ATOM
397
HB2
GLN
24
−1.035

−14.351
−0.509
1.00
0.00
BrD
ATOM
398
CG
GLN
24
−0.369

−12.698
0.284
1.00
0.00
BrD
ATOM
399
HG1
GLN
24
−1.331

−12.531
0.774
1.00
0.00
BrD
ATOM
400
HG2
GLN
24
−0.243

−11.539
−0.192
1.00
0.00
BrD
ATOM
401
CD
GLN
24
0.714

−12.663
1.333
1.00
0.00
BrD
ATOM
402
OE1
GLN
24
0.426

−12.791
2.524
1.00
0.00
BrD
ATOM
403
NE2
GLN
24
1.967

−12.659
0.897
1.00
0.00
BrD
ATOM
404
HE21
GLN
24
2.122

−12.552
−0.065
1.00
0.00
BrD
ATOM
405
HE22
GLN
24
2.687

−12.763
1.554
1.00
0.00
BrD
ATOM
406
C
GLN
24
−1.816

−12.099
−2.179
1.00
0.00
BrD
ATOM
407
O
GLN
24
−2.974

−12.485
−2.332
1.00
0.00
BrD
ATOM
408
N
VAL
25
−1.501

−10.821
−1.974
1.00
0.00
BrD
ATOM
409
HN
VAL
25
−0.561

−10.575
−1.859
1.00
0.00
BrD
ATOM
410
CA
VAL
25
−2.523

−9.776
−1.922
1.00
0.00
BrD
ATOM
411
HA
VAL
25
−3.122

−9.941
−1.036
1.00
0.00
BrD
ATOM
412
CB
VAL
25
−1.890

−8.369
−1.813
1.00
0.00
BrD
ATOM
413
HB
VAL
25
−1.198

−8.243
−2.632
1.00
0.00
BrD
ATOM
414
CG1
VAL
25
−1.116

−8.236
−0.510
1.00
0.00
BrD
ATOM
415
HG11
VAL
25
−1.590

−7.494
0.116
1.00
0.00
BrD
ATOM
416
HG12
VAL
25
−0.102

−7.932
−0.722
1.00
0.00
BrD
ATOM
417
HG13
VAL
25
−1.108

−9.186
0.003
1.00
0.00
BrD
ATOM
418
CG2
VAL
25
−2.945

−7.277
−1.908
1.00
0.00
BrD
ATOM
419
HG21
VAL
25
−3.437

−7.331
−2.868
1.00
0.00
BrD
ATOM
420
HG22
VAL
25
−2.472

−6.313
−1.799
1.00
0.00
BrD
ATOM
421
HG23
VAL
25
−3.672

−7.410
−1.121
1.00
0.00
BrD
ATOM
422
C
VAL
25
−3.440

−9.846
−3.141
1.00
0.00
BrD
ATOM
423
O
LYS
26
−4.659

−9.930
−3.000
1.00
0.00
BrD
ATOM
424
N
LYS
26
−2.858

−9.858
−4.336
1.00
0.00
BrD
ATOM
425
HN
LYS
26
−1.863

−9.798
−4.396
1.00
0.00
BrD
ATOM
426
CA
LYS
26
−3.648

−9.943
−5.562
1.00
0.00
BrD
ATOM
427
HA
LYS
26
−4.174

−9.008
−5.678
1.00
0.00
BrD
ATOM
428
CB
LYS
26
−2.737

−10.161
−6.771
1.00
0.00
BrD
ATOM
429
HB1
LYS
26
−3.314

−10.018
−7.673
1.00
0.00
BrD
ATOM
430
HB2
LYS
26
−1.942

−9.430
−7.744
1.00
0.00
BrD
ATOM
431
CG
LYS
26
−2.111

−11.545
−6.820
1.00
0.00
BrD
ATOM
432
HG1
LYS
26
−2.070

−11.947
−5.818
1.00
0.00
BrD
ATOM
433
HG2
LYS
26
−2.721

−12.183
−7.442
1.00
0.00
BrD
ATOM
434
CD
LYS
26
−0.702

−11.500
−7.391
1.00
0.00
BrD
ATOM
435
HD1
LYS
26
−0.214

−10.600
−7.048
1.00
0.00
BrD
ATOM
436
HD2
LYS
26
−0.156

−12.364
−7.043
1.00
0.00
BrD
ATOM
437
CE
LYS
26
−0.736

−11.505
−8.910
1.00
0.00
BrD
ATOM
438
HE1
LYS
26
0.003

−10.782
−9.266
1.00
0.00
BrD
ATOM
439
HE2
LYS
26
−1.703

−11.228
−9.249
1.00
0.00
BrD
ATOM
440
NZ
LYS
26
−0.371

−12.844
−9.465
1.00
0.00
BrD
ATOM
441
HZ1
LYS
26
−1.215

−13.285
−9.884
1.00
0.00
BrD
ATOM
442
HZ2
LYS
26
−0.010

−13.461
−8.710
1.00
0.00
BrD
ATOM
443
HZ3
LYS
26
0.358

−12.789
−10.199
1.00
0.00
BrD
ATOM
444
C
LYS
26
−4.673

−11.073
−5.468
1.00
0.00
BrD
ATOM
445
O
LYS
26
−5.762

−10.991
−6.036
1.00
0.00
BrD
ATOM
446
N
SER
27
−4.315

−12.118
−4.732
1.00
0.00
BrD
ATOM
447
HN
SER
27
−3.439

−12.109
−4.293
1.00
0.00
BrD
ATOM
448
CA
SER
27
−5.204

−13.257
−4.516
1.00
0.00
BrD
ATOM
449
HA
SER
27
−6.104

−13.100
−5.091
1.00
0.00
BrD
ATOM
450
CB
SER
27
−4.532

−14.553
−4.976
1.00
0.00
BrD
ATOM
451
HB1
SER
27
−3.629

−14.710
−4.404
1.00
0.00
BrD
ATOM
452
HB2
SER
27
−5.207

−15.381
−4.818
1.00
0.00
BrD
ATOM
453
CG
SER
27
−4.197

−16.492
−6.351
1.00
0.00
BrD
ATOM
454
HG
SER
27
−3.746

−15.300
−6.606
1.00
0.00
BrD
ATOM
455
C
SER
27
−5.591

−13.361
−3.050
1.00
0.00
BrD
ATOM
456
O
SER
27
−5.962

−14.431
−2.567
1.00
0.00
BrD
ATOM
457
N
HIS
28
−5.477

−12.246
−2.339
1.00
0.00
BrD
ATOM
458
HN
HIS
28
−5.215

−11.418
−2.785
1.00
0.00
BrD
ATOM
459
CA
HIS
28
−5.863

−12.197
−0.946
1.00
0.00
BrD
ATOM
460
HA
HIS
28
−5.597

−13.142
−0.497
1.00
0.00
BrD
ATOM
461
CB
HIS
28
−5.125

−11.076
−0.217
1.00
0.00
BrD
ATOM
462
HB1
HIS
28
−4.073

−11.308
−0.210
1.00
0.00
BrD
ATOM
463
HB2
HIS
28
−5.283

−10.146
−0.742
1.00
0.00
BrD
ATOM
464
CG
HIS
28
−5.549

−10.864
1.205
1.00
0.00
BrD
ATOM
465
ND1
HIS
28
−5.742

−11.931
2.081
1.00
0.00
BrD
ATOM
466
HD1
HIS
28
−5.645

−12.883
1.866
1.00
0.00
BrD
ATOM
467
CD2
HIS
28
−5.780

−9.754
1.926
1.00
0.00
BrD
ATOM
468
HD2
HIS
28
−5.717

−8.739
1.549
1.00
0.00
BrD
ATOM
469
CE1
HIS
28
−6.092

−11.456
3.262
1.00
0.00
BrD
ATOM
470
HE1
HIS
28
−6.314

−12.044
4.141
1.00
0.00
BrD
ATOM
471
NH2
HIS
28
−6.119

−10.139
3.189
1.00
0.00
BrD
ATOM
472
HE2
HIS
28
−6.350

−9.536
3.925
1.00
0.00
BrD
ATOM
473
C
HIS
28
−7.364

−12.017
−0.850
1.00
0.00
BrD
ATOM
474
O
HIS
28
−7.979

−11.356
−1.686
1.00
0.00
BrD
ATOM
475
N
GLN
29
−7.954

−12.666
0.128
1.00
0.00
BrD
ATOM
476
HN
GLN
29
−7.404

−13.189
0.747
1.00
0.00
BrD
ATOM
477
CA
GLN
29
−9.397

−12.630
0.298
1.00
0.00
BrD
ATOM
478
HA
GLN
29
−9.836

−12.688
−0.687
1.00
0.00
BrD
ATOM
479
CB
GLN
29
−9.840

−13.850
1.090
1.00
0.00
BrD
ATOM
480
HB1
GLN
29
−9.485

−13.761
2.106
1.00
0.00
BrD
ATOM
481
HB2
GLN
29
−10.918

−13.901
1.092
1.00
0.00
BrD
ATOM
482
CG
GLN
29
−9.294

−15.138
0.496
1.00
0.00
BrD
ATOM
483
HG1
GLN
29
−8.707

−14.887
−0.386
1.00
0.00
BrD
ATOM
484
HG2
GLN
29
−8.660

−15.618
1.227
1.00
0.00
BrD
ATOM
485
CD
GLN
29
−10.390

−16.105
0.093
1.00
0.00
BrD
ATOM
486
OE1
GLN
29
−10.358

−16.679
−0.996
1.00
0.00
BrD
ATOM
487
NE2
GLN
29
−11.368

−16.290
0.971
1.00
0.00
BrD
ATOM
488
HE21
GLN
29
−12.090

−16.910
0.737
1.00
0.00
BrD
ATOM
489
HE22
GLN
29
−11.329

−15.800
1.819
1.00
0.00
BrD
ATOM
490
C
GLN
29
−9.866

−11.332
0.951
1.00
0.00
BrD
ATOM
491
O
GLN
29
−11.065

−11.122
1.116
1.00
0.00
BrD
ATOM
492
N
SER
30
−8.921

−10.450
1.262
1.00
0.00
BrD
ATOM
493
HN
SER
30
−7.985

−10.661
1.074
1.00
0.00
BrD
ATOM
494
CA
SER
30
−9.246

−9.143
1.805
1.00
0.00
BrD
ATOM
495
HA
SER
30
−10.329

−9.036
1.787
1.00
0.00
BrD
ATOM
496
CB
SER
30
−8.759

−9.026
3.250
1.00
0.00
BrD
ATOM
497
HB1
SER
30
−7.829

−8.479
3.271
1.00
0.00
BrD
ATOM
498
HB2
SER
30
−9.499

−8.500
3.835
1.00
0.00
BrD
ATOM
499
CG
SER
30
−8.552

−10.307
3.823
1.00
0.00
BrD
ATOM
500
HG
SER
30
−9.322

−10.857
3.664
1.00
0.00
BrD
ATOM
501
C
SER
30
−8.627

−8.036
0.945
1.00
0.00
BrD
ATOM
502
O
SER
30
−8.726

−6.855
1.276
1.00
0.00
BrD
ATOM
503
N
ALA
31
−7.977

−8.625
−0.157
1.00
0.00
BrD
ATOM
504
HN
ALA
31
−7.935

−9.377
−0.385
1.00
0.00
BrD
ATOM
505
CA
ALA
31
−7.365

−7.662
−1.066
1.00
0.00
BrD
ATOM
506
HA
ALA
31
−6.927

−6.675
−0.470
1.00
0.00
BrD
ATOM
507
CB
ALA
31
−6.251

−8.123
−1.861
1.00
0.00
BrD
ATOM
508
HB1
ALA
31
−5.395

−8.274
−1.223
1.00
0.00
BrD
ATOM
509
HB2
ALA
31
−5.974

−7.489
−2.691
1.00
0.00
BrD
ATOM
510
HB3
ALA
31
−6.593

−9.078
−2.236
1.00
0.00
BrD
ATOM
511
C
ALA
31
−8.397

−6.851
−2.024
1.00
0.00
BrD
ATOM
512
O
ALA
31
−8.097

−5.900
−2.736
1.00
0.00
BrD
ATOM
513
N
TRP
32
−9.614

−7.396
−2.010
1.00
0.00
BrD
ATOM
514
HN
TRP
32
−9.795

−8.160
−1.427
1.00
0.00
BrD
ATOM
515
CA
TRP
32
−10.669

−6.906
−2.893
1.00
0.00
BrD
ATOM
516
HA
TRP
32
−10.362

−7.135
−3.902
1.00
0.00
BrD
ATOM
517
CB
TRP
32
−12.002

−7.630
−2.628
1.00
0.00
BrD
ATOM
518
HB1
TRP
32
−12.700

−7.192
−3.249
1.00
0.00
BrD
ATOM
519
HB2
TRP
32
−11.894

−8.671
−2.881
1.00
0.00
BrD
ATOM
520
CG
TRP
32
−12.454

−7.544
−1.209
1.00
0.00
BrD
ATOM
521
CD1
TRP
32
−12.415

−8.532
−0.267
1.00
0.00
BrD
ATOM
522
HD1
TRP
32
−12.058

−9.535
−0.450
1.00
0.00
BrD
ATOM
523
CD2
TRP
32
−12.993

−6.393
−0.565
1.00
0.00
BrD
ATOM
524
NE1
TRP
32
−12.895

−8.057
0.929
1.00
0.00
BrD
ATOM
525
HE1
TRP
32
−12.970

−8.574
1.758
1.00
0.00
BrD
ATOM
526
CH2
TRP
32
−13.253

−6.743
0.770
1.00
0.00
BrD
ATOM
527
CH3
TRP
32
−13.270

−5.095
−0.991
1.00
0.00
BrD
ATOM
528
HE3
TRP
32
−13.068

−4.788
−2.006
1.00
0.00
BrD
ATOM
529
CZ2
TRP
32
−13.784

−5.839
1.681
1.00
0.00
BrD
ATOM
530
HZ2
TRP
32
−13.983

−6.109
2.708
1.00
0.00
BrD
ATOM
531
CZ3
TRP
32
−13.786

−4.196
−0.086
1.00
0.00
BrD
ATOM
532
HZ3
TRP
32
−14.003

−3.185
−0.395
1.00
0.00
BrD
ATOM
533
CH2
TRP
32
−14.055

−4.577
1.230
1.00
0.00
BrD
ATOM
534
HH2
TRP
32
−14.420

−3.838
1.903
1.00
0.00
BrD
ATOM
535
C
TRP
32
−10.855

−5.382
−2.797
1.00
0.00
BrD
ATOM
536
O
TRP
32
−11.199

−4.752
−3.797
1.00
0.00
BrD
ATOM
537
N
PRO
33
−10.636

−4.741
−1.618
1.00
0.00
BrD
ATOM
538
CA
PRO
33
−10.800

−3.297
−1.493
1.00
0.00
BrD
ATOM
539
HA
PRO
33
−11.693

−2.959
−1.999
1.00
0.00
BrD
ATOM
540
CB
PRO
33
−10.947

−3.057
0.017
1.00
0.00
BrD
ATOM
541
HB1
PRO
33
−10.191

−2.357
0.341
1.00
0.00
BrD
ATOM
542
HB2
PRO
33
−11.926

−2.646
0.219
1.00
0.00
BrD
ATOM
543
CG
PRO
33
−10.771

−4.386
0.685
1.00
0.00
BrD
ATOM
544
HG1
PRO
33
−11.713

−4.744
1.048
1.00
0.00
BrD
ATOM
545
HG2
PRO
33
−10.075

−4.288
1.505
1.00
0.00
BrD
ATOM
546
CD
PRO
33
−10.223

−5.333
−0.337
1.00
0.00
BrD
ATOM
547
HD1
PRO
33
−10.632

−6.319
−0.205
1.00
0.00
BrD
ATOM
548
HD2
PRO
33
−9.165

−5.358
−0.254
1.00
0.00
BrD
ATOM
549
C
PRO
33
−9.596

−2.535
−2.040
1.00
0.00
BrD
ATOM
550
O
PRO
33
−9.687

−1.343
−2.332
1.00
0.00
BrD
ATOM
551
N
PHE
34
−8.472

−1.233
−2.187
1.00
0.00
BrD
ATOM
552
HN
PHE
34
−8.458

−4.180
−1.936
1.00
0.00
BrD
ATOM
553
CA
PHE
34
−7.256

−2.619
−2.703
1.00
0.00
BrD
ATOM
554
HA
PHE
34
−7.295

−1.564
−2.475
1.00
0.00
BrD
ATOM
555
CB
PHE
34
−6.026

−3.228
−2.030
1.00
0.00
BrD
ATOM
556
HB1
PHE
34
−5.773

−4.150
−2.531
1.00
0.00
BrD
ATOM
557
HB2
PHE
34
−5.198

−2.540
−2.118
1.00
0.00
BrD
ATOM
558
CG
PHE
34
−6.228

−3.531
−0.573
1.00
0.00
BrD
ATOM
559
CD1
PHE
34
−6.985

−2.689
0.226
1.00
0.00
BrD
ATOM
560
HD1
PHE
34
−7.430

−1.805
−0.208
1.00
0.00
BrD
ATOM
561
CD2
PHE
34
−5.663

−4.659
−0.003
1.00
0.00
BrD
ATOM
562
HD2
PHE
34
−5.074

−5.324
−0.617
1.00
0.00
BrD
ATOM
563
CE1
PHE
34
−7.175

−2.968
1.566
1.00
0.00
BrD
ATOM
564
HE1
PHE
34
−7.767

−2.303
2.179
1.00
0.00
BrD
ATOM
565
CE2
PHE
34
−5.852

−4.944
1.335
1.00
0.00
BrD
ATOM
566
HE2
PHE
34
−5.409

−5.829
1.765
1.00
0.00
BrD
ATOM
567
CZ
PHE
34
−6.607

−4.098
2.122
1.00
0.00
BrD
ATOM
568
HZ
PHE
34
−6.753

−4.319
3.168
1.00
0.00
BrD
ATOM
569
C
PHE
34
−7.150

−2.790
−4.213
1.00
0.00
BrD
ATOM
570
O
PHE
34
−6.653

−1.909
−4.907
1.00
0.00
BrD
ATOM
571
N
MET
35
−7.624

−3.923
−4.721
1.00
0.00
BrD
ATOM
572
HN
MET
35
−8.000

−4.598
−4.119
1.00
0.00
BrD
ATOM
573
CA
MET
35
−7.545

−4.205
−6.131
1.00
0.00
BrD
ATOM
574
HA
MET
35
−6.600

−3.825
−6.507
1.00
0.00
BrD
ATOM
575
CB
MET
35
−7.593

−5.706
−6.393
1.00
0.00
BrD
ATOM
576
HB1
MET
35
−7.670

−5.889
−7.454
1.00
0.00
BrD
ATOM
577
HB2
MET
35
−8.463

−6.114
−5.999
1.00
0.00
BrD
ATOM
578
CG
MET
35
−6.367

−6.423
−5.871
1.00
0.00
BrD
ATOM
579
HG1
MET
35
−6.673

−7.114
−5.107
1.00
0.00
BrD
ATOM
580
HG2
MET
35
−5.696

−5.692
−5.444
1.00
0.00
BrD
ATOM
581
SD
MET
35
−5.490

−7.322
−7.161
1.00
0.00
BrD
ATOM
582
CE
MET
35
−4.032

−6.298
−7.337
1.00
0.00
BrD
ATOM
583
HE1
MET
35
−3.281

−6.831
−7.905
1.00
0.00
BrD
ATOM
584
HE2
MET
35
−3.639

−6.062
−6.358
1.00
0.00
BrD
ATOM
585
HE3
MET
35
−4.294

−5.384
−7.850
1.00
0.00
BrD
ATOM
586
C
MET
35
−8.661

−3.519
−6.924
1.00
0.00
BrD
ATOM
587
O
MET
35
−9.396

−4.160
−7.675
1.00
0.00
BrD
ATOM
588
N
GLU
36
−8.749

−2.208
−6.762
1.00
0.00
BrD
ATOM
589
HN
GLU
36
−8.116

−1.765
−6.164
1.00
0.00
BrD
ATOM
590
CA
GLU
36
−9.751

−1.407
−7.457
1.00
0.00
BrD
ATOM
591
HA
GLU
36
−9.531

−1.453
−8.515
1.00
0.00
BrD
ATOM
592
CB
GLU
36
−11.156

−1.964
−7.207
1.00
0.00
BrD
ATOM
593
HB1
GLU
36
−11.084

−3.018
−6.987
1.00
0.00
BrD
ATOM
594
HB2
GLU
36
−11.581

−1.458
−6.354
1.00
0.00
BrD
ATOM
595
CG
GLU
36
−12.099

−1.787
−8.385
1.00
0.00
BrD
ATOM
596
HG1
GLU
36
−11.527

−1.466
−9.243
1.00
0.00
BrD
ATOM
597
HG2
GLU
36
−12.569

−2.735
−8.600
1.00
0.00
BrD
ATOM
598
CD
GLU
36
−13.182

0.761
−8.114
1.00
0.00
BrD
ATOM
599
OE1
GLU
36
−12.865

−0.447
−8.098
1.00
0.00
BrD
ATOM
600
OE2
GLU
36
−14.368

1.165
−7.919
1.00
0.00
BrD
ATOM
601
C
GLU
36
−9.692

0.050
−7.001
1.00
0.00
BrD
ATOM
602
O
GLU
36
−10.470

0.471
−6.145
1.00
0.00
BrD
ATOM
603
N
PRO
37
−8.764

0.842
−7.565
1.00
0.00
BrD
ATOM
604
CA
PRO
37
−8.604

2.255
−7.202
1.00
0.00
BrD
ATOM
605
HA
PRO
37
−8.407

2.369
−6.146
1.00
0.00
BrD
ATOM
606
CB
PRO
37
−7.376

2.709
−8.004
1.00
0.00
BrD
ATOM
607
HB1
PRO
37
−7.696

3.306
−8.846
1.00
0.00
BrD
ATOM
608
HB2
PRO
37
−6.728

3.295
−7.370
1.00
0.00
BrD
ATOM
609
CG
PRO
37
−6.706

1.453
−8.451
1.00
0.00
BrD
ATOM
610
HG1
PRO
37
−6.222

1.614
−9.403
1.00
0.00
BrD
ATOM
611
HG2
PRO
37
−5.984

1.139
−7.711
1.00
0.00
BrD
ATOM
612
CD
PRO
37
−7.793

0.426
−8.587
1.00
0.00
BrD
ATOM
613
HD1
PRO
37
−8.229

−0.465
−9.574
1.00
0.00
BrD
ATOM
614
HD2
PRO
37
−7.410

0.561
−8.378
1.00
0.00
BrD
ATOM
615
C
PRO
37
−9.822

3.093
−7.576
1.00
0.00
BrD
ATOM
616
O
PRO
37
−10.678

2.655
−8.344
1.00
0.00
BrD
ATOM
617
N
VAL
38
−9.892

4.301
−7.025
1.00
0.00
BrD
ATOM
618
HN
VAL
38
−9.179

4.594
−6.422
1.00
0.00
BrD
ATOM
619
CA
VAL
38
−11.006

5.206
−7.300
1.00
0.00
BrD
ATOM
620
HA
VAL
38
−11.709

4.683
−7.931
1.00
0.00
BrD
ATOM
621
CB
VAL
38
−11.750

5.646
−6.012
1.00
0.00
BrD
ATOM
622
HB
VAL
38
−11.449

6.657
−5.781
1.00
0.00
BrD
ATOM
623
CG1
VAL
38
−11.395

4.767
−4.819
1.00
0.00
BrD
ATOM
624
HG11
VAL
38
−11.888

5.145
−3.935
1.00
0.00
BrD
ATOM
625
HG12
VAL
38
−10.326

4.779
−4.667
1.00
0.00
BrD
ATOM
626
HG13
VAL
38
−11.721

3.755
−5.008
1.00
0.00
BrD
ATOM
627
CG2
VAL
38
−13.253

5.646
−6.246
1.00
0.00
BrD
ATOM
628
HG21
VAL
38
−13.760

5.374
−5.333
1.00
0.00
BrD
ATOM
629
HG22
VAL
38
−13.497

4.934
−7.020
1.00
0.00
BrD
ATOM
630
HG23
VAL
38
−13.570

6.629
−6.553
1.00
0.00
BrD
ATOM
631
C
VAL
38
−10.518

6.451
−8.035
1.00
0.00
BrD
ATOM
632
O
VAL
38
−9.410

6.473
−8.571
1.00
0.00
BrD
ATOM
633
N
LYS
39
−11.349

7.488
−8.051
1.00
0.00
BrD
ATOM
634
HN
LYS
39
−12.215

7.412
−7.609
1.00
0.00
BrD
ATOM
635
CA
LYS
39
−11.005

8.737
−8.715
1.00
0.00
BrD
ATOM
636
HA
LYS
39
−9.947

8.906
−8.574
1.00
0.00
BrD
ATOM
637
CB
LYS
39
−11.299

8.646
−10.216
1.00
0.00
BrD
ATOM
638
HB1
LYS
39
−10.419

8.285
−10.714
1.00
0.00
BrD
ATOM
639
HB2
LYS
39
−11.531

9.633
−10.587
1.00
0.00
BrD
ATOM
640
CG
LYS
39
−12.452

7.722
−10.569
1.00
0.00
BrD
ATOM
641
HG1
LYS
39
−12.970

7.450
−9.661
1.00
0.00
BrD
ATOM
642
HG2
LYS
39
−13.127

8.741
−11.232
1.00
0.00
BrD
ATOM
643
CD
LYS
39
−11.962

6.458
−11.256
1.00
0.00
BrD
ATOM
644
HD1
LYS
39
−12.413

5.601
−10.777
1.00
0.00
BrD
ATOM
645
HD2
LYS
39
−10.888

6.402
−11.160
1.00
0.00
BrD
ATOM
646
CE
LYS
39
−12.326

6.447
−12.732
1.00
0.00
BrD
ATOM
647
HE1
LYS
39
−11.779

5.653
−13.219
1.00
0.00
BrD
ATOM
648
HE2
LYS
39
−12.044

7.395
−13.166
1.00
0.00
BrD
ATOM
649
NZ
LYS
39
−13.784

6.232
−12.965
1.00
0.00
BrD
ATOM
650
HZ1
LYS
39
−13.963

5.950
−13.930
1.00
0.00
BrD
ATOM
651
HZ2
LYS
39
−14.307

7.108
−12.783
1.00
0.00
BrD
ATOM
652
HZ3
LYS
39
−14.130

5.492
−12.313
1.00
0.00
BrD
ATOM
653
C
LYS
39
−11.772

9.903
−8.105
1.00
0.00
BrD
ATOM
654
O
LYS
39
−12.687

9.739
−7.116
1.00
0.00
BrD
ATOM
655
N
ARG
40
−11.626

11.078
−8.706
1.00
0.00
BrD
ATOM
656
HN
ARG
40
−11.040

11.146
−9.888
1.00
0.00
BrD
ATOM
657
CA
ARG
40
−12.304

12.273
−8.223
1.00
0.00
BrD
ATOM
658
HA
ARG
40
−12.018

12.419
−7.191
1.00
0.00
BrD
ATOM
659
CB
ARG
40
−11.856

13.492
−9.037
1.00
0.00
BrD
ATOM
660
HB1
ARG
40
−12.313

13.435
−10.019
1.00
0.00
BrD
ATOM
661
HB2
ARG
40
−10.792

13.476
−9.139
1.00
0.00
BrD
ATOM
662
CG
ARG
40
−12.265

14.819
−8.410
1.00
0.00
BrD
ATOM
663
HG1
ARG
40
−12.664

14.634
−7.424
1.00
0.00
BrD
ATOM
664
HG2
ARG
40
−13.020

15.285
−9.025
1.00
0.00
BrD
ATOM
665
CD
ARG
40
−11.075

15.759
−8.292
1.00
0.00
BrD
ATOM
666
HD1
ARG
40
−10.715

15.988
−9.284
1.00
0.00
BrD
ATOM
667
HD2
ARG
40
−10.296

15.263
−7.732
1.00
0.00
BrD
ATOM
668
NE
ARG
40
−11.426

17.004
−7.616
1.00
0.00
BrD
ATOM
669
HE
ARG
40
−11.554

17.802
−8.171
1.00
0.00
BrD
ATOM
670
CZ
ARG
40
−11.577

17.109
−6.300
1.00
0.00
BrD
ATOM
671
NH1
ARG
40
−11.409

16.047
−5.525
1.00
0.00
BrD
ATOM
672
HH11
ARG
40
−11.168

15.165
−5.930
1.00
0.00
BrD
ATOM
673
HH12
ARG
40
−11.523

16.127
−4.535
1.00
0.00
BrD
ATOM
674
NH2
ARG
40
−11.897

18.276
−5.758
1.00
0.00
BrD
ATOM
675
HH21
ARG
40
−12.011

18.353
−4.767
1.00
0.00
BrD
ATOM
676
HH22
ARG
40
−12.025

19.079
−6.339
1.00
0.00
BrD
ATOM
677
C
ARG
40
−13.824

12.123
−8.293
1.00
0.00
BrD
ATOM
678
O
ARG
40
−14.556

12.915
−7.700
1.00
0.00
BrD
ATOM
679
N
THR
41
−14.301

11.109
−9.017
1.00
0.00
BrD
ATOM
680
HN
THR
41
−13.680

10.511
−9.481
1.00
0.00
BrD
ATOM
681
CA
THR
41
−15.737

10.898
−9.159
1.00
0.00
BrD
ATOM
682
HA
THR
41
−16.228

11.725
−8.681
1.00
0.00
BrD
ATOM
683
CB
THR
41
−16.133

10.870
−10.637
1.00
0.00
BrD
ATOM
684
HB
THR
41
−15.862

11.812
−11.090
1.00
0.00
BrD
ATOM
685
OG1
THR
41
−17.533

10.696
−10.775
1.00
0.00
BrD
ATOM
686
HG1
THR
41
−17.988

11.239
−10.127
1.00
0.00
BrD
ATOM
687
CG2
THR
41
−15.453

9.771
−11.421
1.00
0.00
BrD
ATOM
688
HG21
THR
41
−14.431

9.669
−11.083
1.00
0.00
BrD
ATOM
689
HG22
THR
41
−15.462

10.020
−12.472
1.00
0.00
BrD
ATOM
690
HG23
THR
41
−15.979

8.841
−11.267
1.00
0.00
BrD
ATOM
691
C
THR
41
−16.197

9.623
−8.467
1.00
0.00
BrD
ATOM
692
O
THR
41
−17.123

9.656
−7.658
1.00
0.00
BrD
ATOM
693
N
GLU
42
−15.573

8.498
−8.792
1.00
0.00
BrD
ATOM
694
HN
GLU
42
−14.835

8.521
−9.435
1.00
0.00
BrD
ATOM
695
CA
GLU
42
−15.940

7.236
−8.163
1.00
0.00
BrD
ATOM
696
HA
GLU
42
−16.954

7.002
−8.454
1.00
0.00
BrD
ATOM
697
CB
GLU
42
−15.013

6.109
−8.623
1.00
0.00
BrD
ATOM
698
HB1
GLU
42
−15.239

5.220
−8.053
1.00
0.00
BrD
ATOM
699
HB2
GLU
42
−13.993

6.398
−8.431
1.00
0.00
BrD
ATOM
700
CG
GLU
42
−15.142

5.774
−10.098
1.00
0.00
BrD
ATOM
701
HG1
GLU
42
−14.286

5.191
−10.396
1.00
0.00
BrD
ATOM
702
HG2
GLU
42
−15.166

6.694
−10.663
1.00
0.00
BrD
ATOM
703
CD
GLU
42
−16.397

4.982
−10.409
1.00
0.00
BrD
ATOM
704
OE1
GLU
42
−17.489

5.589
−10.443
1.00
0.00
BrD
ATOM
705
OE2
GLU
42
−16.289

3.756
−10.620
1.00
0.00
BrD
ATOM
706
C
GLU
42
−15.881

7.374
−6.647
1.00
0.00
BrD
ATOM
707
O
GLU
42
−16.614

6.703
−5.920
1.00
0.00
BrD
ATOM
708
N
ALA
43
−15.028

8.279
−6.181
1.00
0.00
BrD
ATOM
709
HN
ALA
43
−14.457

8.774
−6.817
1.00
0.00
BrD
ATOM
710
CA
ALA
43
−14.861

8.509
−4.752
1.00
0.00
BrD
ATOM
711
HA
ALA
43
−15.712

8.080
−4.245
1.00
0.00
BrD
ATOM
712
CB
ALA
43
−13.609

7.810
−4.245
1.00
0.00
BrD
ATOM
713
HB1
ALA
43
−12.893

7.731
−5.049
1.00
0.00
BrD
ATOM
714
HB2
ALA
43
−13.866

6.822
−3.893
1.00
0.00
BrD
ATOM
715
HB3
ALA
43
−13.180

8.381
−3.435
1.00
0.00
BrD
ATOM
716
C
ALA
43
−14.799

10.002
−4.440
1.00
0.00
BrD
ATOM
717
O
ALA
43
−13.721

10.555
−4.222
1.00
0.00
BrD
ATOM
718
N
PRO
44
−15.962

10.676
−4.414
1.00
0.00
BrD
ATOM
719
CA
PRO
44
−16.038

12.114
−4.129
1.00
0.00
BrD
ATOM
720
HA
PRO
44
−15.511

12.692
−4.874
1.00
0.00
BrD
ATOM
721
CB
PRO
44
−17.539

12.422
−4.207
1.00
0.00
BrD
ATOM
722
HB1
PRO
44
−17.688

3.369
−4.704
1.00
0.00
BrD
ATOM
723
HB2
PRO
44
−17.951

12.465
−3.210
1.00
0.00
BrD
ATOM
724
CG
PRO
44
−18.125

11.298
−4.991
1.00
0.00
BrD
ATOM
725
HG1
PRO
44
−18.071

11.518
−6.047
1.00
0.00
BrD
ATOM
726
HG2
PRO
44
−19.150

11.137
−4.692
1.00
0.00
BrD
ATOM
727
CD
PRO
44
−17.291

10.095
−4.665
1.00
0.00
BrD
ATOM
728
HD1
PRO
44
−17.264

9.413
−5.500
1.00
0.00
BrD
ATOM
729
HD2
PRO
44
−17.668

9.601
−3.783
1.00
0.00
BrD
ATOM
730
C
PRO
44
−15.498

12.458
−2.746
1.00
0.00
BrD
ATOM
731
O
PRO
44
−16.262

12.635
−1.797
1.00
0.00
BrD
ATOM
732
N
GLY
45
−14.177

12.551
−2.637
1.00
0.00
BrD
ATOM
733
HN
GLY
45
−13.617

12.400
−3.427
1.00
0.00
BrD
ATOM
734
CA
GLY
45
−13.560

12.875
−1.365
1.00
0.00
BrD
ATOM
735
HA1
GLY
45
−13.586

13.946
−1.228
1.00
0.00
BrD
ATOM
736
HA2
GLY
45
−14.128

12.409
−0.573
1.00
0.00
BrD
ATOM
737
C
GLY
45
−12.121

12.405
−1.278
1.00
0.00
BrD
ATOM
738
O
GLY
45
−11.333

12.942
−0.499
1.00
0.00
BrD
ATOM
739
N
TYR
46
−11.777

11.403
−2.081
1.00
0.00
BrD
ATOM
740
HN
TYR
46
−12.450

11.015
−2.678
1.00
0.00
BrD
ATOM
741
CA
TYR
46
−10.423

10.861
−2.089
1.00
0.00
BrD
ATOM
742
HA
TYR
46
−10.271

10.337
−1.158
1.00
0.00
BrD
ATOM
743
CB
TYR
46
−10.255

9.878
−3.249
1.00
0.00
BrD
ATOM
744
HB1
TYR
46
−11.073

10.006
−3.942
1.00
0.00
BrD
ATOM
745
HB2
TYR
46
−9.324

10.084
−3.755
1.00
0.00
BrD
ATOM
746
CG
TYR
46
−10.237

8.431
−2.814
1.00
0.00
BrD
ATOM
747
CD1
TYR
46
−9.262

7.558
−3.279
1.00
0.00
BrD
ATOM
748
HD1
TYR
46
−8.511

7.926
−3.962
1.00
0.00
BrD
ATOM
749
CD2
TYR
46
−11.194

7.938
−1.935
1.00
0.00
BrD
ATOM
750
HD2
TYR
46
−11.958

8.605
−1.564
1.00
0.00
BrD
ATOM
751
CE1
TYR
46
−9.242

6.235
−2.884
1.00
0.00
BrD
ATOM
752
HE1
TYR
46
−8.474

5.572
−3.254
1.00
0.00
BrD
ATOM
753
CE2
TYR
46
−11.180

6.617
−1.534
1.00
0.00
BrD
ATOM
754
HE2
TYR
46
−11.933

6.253
−0.850
1.00
0.00
BrD
ATOM
755
CZ
TYR
46
−10.203

5.769
−2.010
1.00
0.00
BrD
ATOM
756
OH
TYR
46
−10.186

4.452
−1.612
1.00
0.00
BrD
ATOM
757
HH
TYR
46
−9.895

4.397
−0.699
1.00
0.00
BrD
ATOM
758
C
TYR
46
−9.386

11.975
−2.200
1.00
0.00
BrD
ATOM
759
O
TYR
46
−9.727

13.132
−2.446
1.00
0.00
BrD
ATOM
760
N
TYR
47
−8.120

11.618
−2.014
1.00
0.00
BrD
ATOM
761
HN
TYR
47
−7.911

10.680
−1.823
1.00
0.00
BrD
ATOM
762
CA
TYR
47
−7.033

12.587
−2.097
1.00
0.00
BrD
ATOM
763
HA
TYR
47
−6.102

12.042
−2.050
1.00
0.00
BrD
ATOM
764
CB
TYR
47
−7.099

13.345
−3.424
1.00
0.00
BrD
ATOM
765
HB1
TYR
47
−7.889

14.080
−3.370
1.00
0.00
BrD
ATOM
766
HB2
TYR
47
−6.158

13.848
−3.590
1.00
0.00
BrD
ATOM
767
CG
TYR
47
−7.370

12.459
−4.619
1.00
0.00
BrD
ATOM
768
CD1
TYR
47
−8.056

12.946
−5.725
1.00
0.00
BrD
ATOM
769
HD1
TYR
47
−8.397

13.971
−5.722
1.00
0.00
BrD
ATOM
770
CD2
TYR
47
−6.940

11.137
−4.644
1.00
0.00
BrD
ATOM
771
HD2
TYR
47
−6.405

10.742
−3.792
1.00
0.00
BrD
ATOM
772
CE1
TYR
47
−8.306

12.143
−6.821
1.00
0.00
BrD
ATOM
773
HE1
TYR
47
−8.841

12.540
−7.671
1.00
0.00
BrD
ATOM
774
CH2
TYR
47
−7.186

10.328
−5.738
1.00
0.00
BrD
ATOM
775
HE2
TYR
47
−6.845

9.303
−5.739
1.00
0.00
BrD
ATOM
776
CZ
TYR
47
−7.870

10.835
−6.823
1.00
0.00
BrD
ATOM
777
OH
TYR
47
−8.117

10.032
−7.912
1.00
0.00
BrD
ATOM
778
HH
TYR
47
−7.572

10.317
−8.650
1.00
0.00
BrD
ATOM
779
C
TYR
47
−7.085

13.572
−0.933
1.00
0.00
BrD
ATOM
780
O
TYR
47
−6.183

13.605
−0.095
1.00
0.00
BrD
ATOM
781
N
GLU
48
−8.144

14.376
−0.887
1.00
0.00
BrD
ATOM
782
HN
GLU
48
−8.830

14.304
−1.584
1.00
0.00
BrD
ATOM
783
CA
GLU
48
−8.309

15.365
0.174
1.00
0.00
BrD
ATOM
784
HA
GLU
48
−7.569

16.138
0.024
1.00
0.00
BrD
ATOM
785
CB
GLU
48
−9.704

15.991
0.104
1.00
0.00
BrD
ATOM
786
HB1
GLU
48
−9.746

16.827
0.786
1.00
0.00
BrD
ATOM
787
HB2
GLU
48
−10.432

15.254
0.408
1.00
0.00
BrD
ATOM
788
CG
GLU
48
−10.079

16.488
−1.283
1.00
0.00
BrD
ATOM
789
HG1
GLU
48
−9.268

17.086
−1.669
1.00
0.00
BrD
ATOM
790
HG2
GLU
48
−10.235

15.635
−1.927
1.00
0.00
BrD
ATOM
791
CG
GLU
48
−11.341

17.328
−1.282
1.00
0.00
BrD
ATOM
792
OE1
GLU
48
−12.059

17.320
−1.260
1.00
0.00
BrD
ATOM
793
OE2
GLU
48
−11.612

17.994
−2.304
1.00
0.00
BrD
ATOM
794
C
GLU
48
−8.091

14.736
1.547
1.00
0.00
BrD
ATOM
795
O
GLU
48
−7.683

15.410
2.493
1.00
0.00
BrD
ATOM
796
N
VAL
49
−8.360

13.439
1.645
1.00
0.00
BrD
ATOM
797
HN
VAL
49
−8.682

12.958
0.854
1.00
0.00
BrD
ATOM
798
CA
VAL
49
−8.192

12.712
2.899
1.00
0.00
BrD
ATOM
799
HA
VAL
49
−7.919

13.423
3.665
1.00
0.00
BrD
ATOM
800
CB
VAL
49
−9.495

12.010
3.332
1.00
0.00
BrD
ATOM
801
HB
VAL
49
−9.555

11.964
2.815
1.00
0.00
BrD
ATOM
802
CG1
VAL
49
−10.713

12.834
2.949
1.00
0.00
BrD
ATOM
803
HG11
VAL
49
−11.006

12.591
1.937
1.00
0.00
BrD
ATOM
804
HG12
VAL
49
−10.472

13.984
3.011
1.00
0.00
BrD
ATOM
805
HG13
VAL
49
−11.526

12.609
3.622
1.00
0.00
BrD
ATOM
806
CG2
VAL
49
−9.475

11.729
4.827
1.00
0.00
BrD
ATOM
807
HG21
VAL
49
−9.393

12.661
5.367
1.00
0.00
BrD
ATOM
808
HG22
VAL
49
−8.628

11.101
5.062
1.00
0.00
BrD
ATOM
809
HG23
VAL
49
−10.387

11.226
5.111
1.00
0.00
BrD
ATOM
810
C
VAL
49
−7.100

11.656
2.787
1.00
0.00
BrD
ATOM
811
O
VAL
49
−6.592

11.167
3.797
1.00
0.00
BrD
ATOM
812
N
ILE
50
−6.763

11.281
1.558
1.00
0.00
BrD
ATOM
813
HN
ILE
50
−7.214

11.686
0.792
1.00
0.00
BrD
ATOM
814
CA
ILE
50
−5.769

10.245
1.324
1.00
0.00
BrD
ATOM
815
HA
ILE
50
−5.542

9.783
2.274
1.00
0.00
BrD
ATOM
816
CB
ILE
50
−6.291

9.152
0.366
1.00
0.00
BrD
ATOM
817
HB
ILE
50
−6.001

9.428
−0.635
1.00
0.00
BrD
ATOM
818
CG1
ILE
50
−7.818

9.035
0.436
1.00
0.00
BrD
ATOM
819
HG11
ILE
50
−8.256

10.011
0.288
1.00
0.00
BrD
ATOM
820
HG12
ILE
50
−8.358

8.371
−0.344
1.00
0.00
BrD
ATOM
821
CG2
ILE
50
−5.644

7.815
0.684
1.00
0.00
BrD
ATOM
822
HG21
ILE
50
−5.450

7.264
−0.233
1.00
0.00
BrD
ATOM
823
HG22
ILE
50
−6.289

7.250
1.339
1.00
0.00
BrD
ATOM
824
HG23
ILE
50
−4.694

7.981
1.169
1.00
0.00
BrD
ATOM
825
CD1
ILE
50
−8.324

8.499
1.757
1.00
0.00
BrD
ATOM
826
HD11
ILE
50
−8.330

9.293
2.489
1.00
0.00
BrD
ATOM
827
HD12
ILE
50
−7.674

7.704
2.094
1.00
0.00
BrD
ATOM
828
HD13
ILE
50
−9.326

8.116
1.631
1.00
0.00
BrD
ATOM
829
C
ILE
50
−4.490

10.827
0.738
1.00
0.00
BrD
ATOM
830
O
ILE
50
−4.450

11.444
−0.327
1.00
0.00
BrD
ATOM
831
N
ARG
51
−3.384

10.597
1.428
1.00
0.00
BrD
ATOM
832
HN
ARG
51
−3.443

10.086
2.260
1.00
0.00
BrD
ATOM
833
CA
ARG
51
−2.082

11.061
0.969
1.00
0.00
BrD
ATOM
834
HA
ARG
51
−2.068

12.139
1.024
1.00
0.00
BrD
ATOM
835
CB
ARG
51
−0.988

10.491
1.870
1.00
0.00
BrD
ATOM
836
HB1
ARG
51
−1.452

10.081
2.754
1.00
0.00
BrD
ATOM
837
HB2
ARG
51
−0.478

9.698
1.341
1.00
0.00
BrD
ATOM
838
CG
ARG
51
0.048

11.516
2.301
1.00
0.00
BrD
ATOM
839
HG1
ARG
51
−0.399

12.185
3.022
1.00
0.00
BrD
ATOM
840
HG2
ARG
51
0.883

11.000
2.753
1.00
0.00
BrD
ATOM
841
CD
ARG
51
0.552

12.329
2.120
1.00
0.00
BrD
ATOM
842
HD1
ARG
51
0.514

11.713
0.233
1.00
0.00
BrD
ATOM
843
HD2
ARG
51
−0.090

13.187
0.989
1.00
0.00
BrD
ATOM
844
NE
ARG
51
1.923

12.789
1.318
1.00
0.00
BrD
ATOM
845
HE
ARG
51
2.296

12.730
2.222
1.00
0.00
BrD
ATOM
846
CZ
ARG
51
2.683

13.279
0.344
1.00
0.00
BrD
ATOM
847
NH1
ARG
51
3.921

13.678
0.602
1.00
0.00
BrD
ATOM
848
HH11
ARG
51
4.491

14.046
−0.132
1.00
0.00
BrD
ATOM
849
HH12
ARG
51
4.286

13.610
1.532
1.00
0.00
BrD
ATOM
850
NH2
ARG
51
2.206

13.372
−0.890
1.00
0.00
BrD
ATOM
851
HH21
ARG
51
2.779

13.739
−1.522
1.00
0.00
BrD
ATOM
852
HH22
ARG
51
1.273

13.071
−1.089
1.00
0.00
BrD
ATOM
853
C
ARG
51
−1.836

10.632
−0.471
1.00
0.00
BrD
ATOM
854
O
ARG
51
−1.644

11.461
−1.360
1.00
0.00
BrD
ATOM
855
N
SER
52
−1.843

9.322
−0.687
1.00
0.00
BrD
ATOM
856
HN
SER
52
−2.010

8.718
0.067
1.00
0.00
BrD
ATOM
857
CA
SER
52
−1.634

8.752
−2.012
1.00
0.00
BrD
ATOM
858
HA
SER
52
−1.991

9.462
−2.740
1.00
0.00
BrD
ATOM
859
CB
SER
52
−0.145

8.497
−2.253
1.00
0.00
BrD
ATOM
860
HB1
SER
52
0.426

8.900
−1.430
1.00
0.00
BrD
ATOM
861
HB2
SER
52
0.028

7.433
−2.325
1.00
0.00
BrD
ATOM
862
CG
SER
52
0.290

9.112
−3.453
1.00
0.00
BrD
ATOM
863
HG
SER
52
−0.218

8.768
−4.192
1.00
0.00
BrD
ATOM
864
C
SER
52
−2.415

7.450
−2.148
1.00
0.00
BrD
ATOM
865
O
SER
52
−1.912

6.382
−1.801
1.00
0.00
BrD
ATOM
866
N
PRO
53
−3.675

7.518
−2.619
1.00
0.00
BrD
ATOM
867
CA
PRO
53
−4.531

6.344
−2.745
1.00
0.00
BrD
ATOM
868
HA
PRO
53
−4.993

6.101
−1.800
1.00
0.00
BrD
ATOM
869
CB
PRO
53
−5.620

6.776
−3.738
1.00
0.00
BrD
ATOM
870
HB1
PRO
53
−5.555

6.173
−4.630
1.00
0.00
BrD
ATOM
871
HB2
PRO
53
−6.590

6.638
−3.284
1.00
0.00
BrD
ATOM
872
CG
PRO
53
−5.371

8.224
−4.043
1.00
0.00
BrD
ATOM
873
HG1
PRO
53
−6.296

8.775
−3.959
1.00
0.00
BrD
ATOM
874
HG2
PRO
53
−4.969

8.321
−5.041
1.00
0.00
BrD
ATOM
875
CD
PRO
53
−4.377

8.735
−3.034
1.00
0.00
BrD
ATOM
876
HD1
PRO
53
−4.886

9.191
−2.200
1.00
0.00
BrD
ATOM
877
HD2
PRO
53
−3.704

9.437
−3.398
1.00
0.00
BrD
ATOM
878
C
PRO
53
−3.770

5.120
−3.252
1.00
0.00
BrD
ATOM
879
O
PRO
53
−3.456

4.218
−2.475
1.00
0.00
BrD
ATOM
880
N
MET
54
−3.471

5.089
−4.553
1.00
0.00
BrD
ATOM
881
HN
MET
54
−3.738

5.838
−5.124
1.00
0.00
BrD
ATOM
882
CA
MET
54
−2.734

3.970
−5.149
1.00
0.00
BrD
ATOM
883
HA
MET
54
−2.905

3.995
−6.215
1.00
0.00
BrD
ATOM
884
CB
MET
54
−1.236

4.127
−4.877
1.00
0.00
BrD
ATOM
885
HB1
MET
54
−0.936

5.129
−5.145
1.00
0.00
BrD
ATOM
886
HB2
MET
54
−1.057

3.978
−3.822
1.00
0.00
BrD
ATOM
887
CG
MET
54
−0.368

3.147
−5.649
1.00
0.00
BrD
ATOM
888
HG1
MET
54
−0.510

2.160
−5.235
1.00
0.00
BrD
ATOM
889
HG2
MET
54
0.666

3.438
−5.537
1.00
0.00
BrD
ATOM
890
SD
MET
54
−0.767

3.101
−7.407
1.00
0.00
BrD
ATOM
891
CE
MET
54
−2.176

1.995
−7.401
1.00
0.00
BrD
ATOM
892
HE1
MET
54
−2.086

1.294
−8.214
1.00
0.00
BrD
ATOM
893
HE2
MET
54
−3.085

2.567
−7.518
1.00
0.00
BrD
ATOM
894
HE3
MET
54
−2.208

1.457
−6.665
1.00
0.00
BrD
ATOM
895
C
MET
54
−3.229

2.630
−4.602
1.00
0.00
BrD
ATOM
896
O
MET
54
−2.556

1.990
−3.795
1.00
0.00
BrD
ATOM
897
N
ASP
55
−4.422

2.232
−5.029
1.00
0.00
BrD
ATOM
898
HN
ASP
55
−4.919

2.803
−5.652
1.00
0.00
BrD
ATOM
899
CA
ASP
55
−5.045

1.005
−4.544
1.00
0.00
BrD
ATOM
900
HA
ASP
55
−5.236

1.142
−3.490
1.00
0.00
BrD
ATOM
901
CB
ASP
55
−6.391

−0.793
−5.249
1.00
0.00
BrD
ATOM
902
HB1
ASP
55
−6.327

0.045
−5.917
1.00
0.00
BrD
ATOM
903
HB2
ASP
55
−6.631

1.679
−5.817
1.00
0.00
BrD
ATOM
904
CG
ASP
55
−7.520

−0.536
−4.249
1.00
0.00
BrD
ATOM
905
OD1
ASP
55
−8.426

0.256
−4.602
1.00
0.00
BrD
ATOM
906
OD2
ASP
55
−7.496

−1.126
−3.169
1.00
0.00
BrD
ATOM
907
C
ASP
55
−4.121

−0.212
−4.704
1.00
0.00
BrD
ATOM
908
O
ASP
55
−3.406

−0.570
−3.772
1.00
0.00
BrD
ATOM
909
N
LEU
56
−4.142

−0.856
−5.870
1.00
0.00
BrD
ATOM
910
HN
LEU
56
−4.715

−0.533
−6.586
1.00
0.00
BrD
ATOM
911
CA
LEU
56
−3.306

−2.030
−6.111
1.00
0.00
BrD
ATOM
912
HA
LEU
56
−2.301

−1.790
−5.810
1.00
0.00
BrD
ATOM
913
CB
LEU
56
−3.804

−3.224
−5.292
1.00
0.00
BrD
ATOM
914
HB1
LEU
56
−3.692

−4.115
−5.892
1.00
0.00
BrD
ATOM
915
HB2
LEU
56
−4.852

−3.082
−5.089
1.00
0.00
BrD
ATOM
916
CG
LEU
56
−3.088

−3.651
−3.962
1.00
0.00
BrD
ATOM
917
HG
LEU
56
−3.356

−2.661
−3.279
1.00
0.00
BrD
ATOM
918
CD1
LEU
56
−3.521

−4.770
−3.344
1.00
0.00
BrD
ATOM
919
HD11
LEU
56
−2.809

−5.539
−3.606
1.00
0.00
BrD
ATOM
920
HD12
LEU
56
−4.497

−5.040
−3.719
1.00
0.00
BrD
ATOM
921
HD13
LEU
56
−3.562

−4.668
−2.270
1.00
0.00
BrD
ATOM
922
CD2
LEU
56
−1.580

−3.419
−4.253
1.00
0.00
BrD
ATOM
923
HD21
LEU
56
−1.352

−3.388
−5.209
1.00
0.00
BrD
ATOM
924
HD22
LEU
56
−1.144

−4.306
−3.716
1.00
0.00
BrD
ATOM
925
HD23
LEU
56
−1.175

−2.542
−3.671
1.00
0.00
BrD
ATOM
926
C
LEU
56
−3.305

−2.400
−7.587
1.00
0.00
BrD
ATOM
927
O
LEU
56
−2.271

−2.760
−0.150
1.00
0.00
BrD
ATOM
928
N
LYS
57
−4.475

−2.304
−8.207
1.00
0.00
BrD
ATOM
929
HN
LYS
57
−5.261

−2.020
−7.696
1.00
0.00
BrD
ATOM
930
CA
LYS
57
−4.634

−2.639
−9.615
1.00
0.00
BrD
ATOM
931
HA
LYS
57
−4.577

−3.712
−9.704
1.00
0.00
BrD
ATOM
932
CB
LYS
57
−6.007

−2.179
−10.108
1.00
0.00
BrD
ATOM
933
HB1
LYS
57
−6.765

−2.764
−9.608
1.00
0.00
BrD
ATOM
934
HB2
LYS
57
−6.139

−1.119
−9.850
1.00
0.00
BrD
ATOM
935
CG
LYS
57
−6.203

−2.328
−11.608
1.00
0.00
BrD
ATOM
936
HG1
LYS
57
−5.383

−1.845
−12.118
1.00
0.00
BrD
ATOM
937
HG2
LYS
57
−7.132

−1.856
−11.889
1.00
0.00
BrD
ATOM
938
CD
LYS
57
−6.248

−3.790
−12.024
1.00
0.00
BrD
ATOM
939
HD1
LYS
57
−5.259

−4.098
−12.327
1.00
0.00
BrD
ATOM
940
HD2
LYS
57
−6.571

−4.383
−11.181
1.00
0.00
BrD
ATOM
941
CE
LYS
57
−7.210

−4.011
−13.180
1.00
0.00
BrD
ATOM
942
HE1
LYS
57
−7.354

−3.073
−13.697
1.00
0.00
BrD
ATOM
943
HE2
LYS
57
−6.778

−4.732
−13.858
1.00
0.00
BrD
ATOM
944
NZ
LYS
57
−8.532

−4.515
−12.715
1.00
0.00
BrD
ATOM
945
HZ1
LYS
57
−8.403

−5.182
−11.928
1.00
0.00
BrD
ATOM
946
HZ2
LYS
57
−9.022

−5.003
−13.492
1.00
0.00
BrD
ATOM
947
HZ3
LYS
57
−9.122

−3.723
−12.391
1.00
0.00
BrD
ATOM
948
C
LYS
57
−3.533

−2.015
−10.473
1.00
0.00
BrD
ATOM
949
O
LYS
57
−3.222

−2.516
−11.553
1.00
0.00
BrD
ATOM
950
N
THR
58
−2.941

−0.923
−9.989
1.00
0.00
BrD
ATOM
951
HN
THR
58
−3.240

−0.552
−9.135
1.00
0.00
BrD
ATOM
952
CA
THR
58
−1.901

−0.230
−10.742
1.00
0.00
BrD
ATOM
953
HA
THR
58
−1.819

0.717
−11.702
1.00
0.00
BrD
ATOM
954
CB
THR
58
−2.307

1.233
−10.967
1.00
0.00
BrD
ATOM
955
HB
THR
58
−2.611

1.660
−10.024
1.00
0.00
BrD
ATOM
956
OG1
THR
58
−3.403

1.313
−11.862
1.00
0.00
BrD
ATOM
957
HG1
THR
58
−3.101

1.133
−12.755
1.00
0.00
BrD
ATOM
958
CG2
THR
58
−1.197

2.099
−11.525
1.00
0.00
BrD
ATOM
959
HG21
THR
58
−0.808

2.734
−10.743
1.00
0.00
BrD
ATOM
960
HG22
THR
58
−1.585

2.710
−12.326
1.00
0.00
BrD
ATOM
961
HG23
THR
58
−0.405

−1.469
−11.904
1.00
0.00
BrD
ATOM
962
C
THR
58
−0.539

−0.305
−10.045
1.00
0.00
BrD
ATOM
963
O
THR
58
0.499

−0.220
−10.701
1.00
0.00
BrD
ATOM
964
N
MET
59
−0.537

−0.445
−8.721
1.00
0.00
BrD
ATOM
965
HN
MET
59
−1.388

−0.503
−8.238
1.00
0.00
BrD
ATOM
966
CA
MET
59
0.718

0.505
−7.972
1.00
0.00
BrD
ATOM
967
HA
MET
59
1.401

−0.191
−8.436
1.00
0.00
BrD
ATOM
968
CB
MET
59
0.499

0.070
−6.513
1.00
0.00
BrD
ATOM
969
HB1
MET
59
1.430

0.316
−6.125
1.00
0.00
BrD
ATOM
970
HB2
MET
59
−0.238

−0.717
−6.498
1.00
0.00
BrD
ATOM
971
CG
MET
59
0.022

−1.176
−5.583
1.00
0.00
BrD
ATOM
972
HG1
MET
59
−0.822

−0.811
−5.017
1.00
0.00
BrD
ATOM
973
HG2
MET
59
−0.286

−2.022
−6.180
1.00
0.00
BrD
ATOM
974
SD
MET
59
1.300

−1.715
−4.431
1.00
0.00
BrD
ATOM
975
CE
MET
59
1.463

−0.259
−3.400
1.00
0.00
BrD
ATOM
976
HE1
MET
59
0.629

0.205
−2.715
1.00
0.00
BrD
ATOM
977
HE2
MET
59
1.474

−0.624
−4.022
1.00
0.00
BrD
ATOM
978
HE3
MET
59
2.386

−0.316
−2.841
1.00
0.00
BrD
ATOM
979
C
MET
59
1.345

−1.901
−8.036
1.00
0.00
BrD
ATOM
980
O
MET
59
2.535

−2.067
−7.767
1.00
0.00
BrD
ATOM
981
N
SER
60
0.542

−2.898
−8.392
1.00
0.00
BrD
ATOM
982
HN
SER
60
−0.399

−2.710
−8.590
1.00
0.00
BrD
ATOM
983
CA
SER
60
1.205

−4.271
−8.478
1.00
0.00
BrD
ATOM
984
HA
SER
60
1.685

−4.442
−7.640
1.00
0.00
BrD
ATOM
985
CB
SER
60
−0.147

−5.250
−8.396
1.00
0.00
BrD
ATOM
986
HB1
SER
60
−0.610

−5.171
−7.424
1.00
0.00
BrD
ATOM
987
HB2
SER
60
−0.871

−5.006
−9.159
1.00
0.00
BrD
ATOM
988
OG
SER
60
0.286

−6.585
−8.588
1.00
0.00
BrD
ATOM
989
HG
SER
60
−0.145

−6.953
−9.363
1.00
0.00
BrD
ATOM
990
C
SER
60
1.803

−4.503
−9.770
1.00
0.00
BrD
ATOM
991
O
SER
60
2.636

−5.405
−9.850
1.00
0.00
BrD
ATOM
992
N
GLU
61
1.519

−3.690
−10.782
1.00
0.00
BrD
ATOM
993
HN
GLU
61
0.839

−2.995
−10.661
1.00
0.00
BrD
ATOM
994
CA
GLU
61
2.182

−3.820
−12.075
1.00
0.00
BrD
ATOM
995
HA
GLU
61
2.295

−4.874
−12.283
1.00
0.00
BrD
ATOM
996
CB
GLU
61
1.326

−3.187
−13.174
1.00
0.00
BrD
ATOM
997
HB1
GLU
61
1.820

−3.324
−14.125
1.00
0.00
BrD
ATOM
998
HB2
GLU
61
1.232

−2.129
−12.977
1.00
0.00
BrD
ATOM
999
CG
GLU
61
−0.071

−3.779
−13.274
1.00
0.00
BrD
ATOM
1000
HG1
GLU
61
−0.494

−3.836
−12.282
1.00
0.00
BrD
ATOM
1001
HG2
GLU
61
−0.679

−3.132
−13.889
1.00
0.00
BrD
ATOM
1002
CD
GLU
61
−0.073

−5.167
−13.883
1.00
0.00
BrD
ATOM
1003
OE1
GLU
61
−1.024

−5.488
−14.627
1.00
0.00
BrD
ATOM
1004
OE2
GLU
61
0.876

−5.934
−13.617
1.00
0.00
BrD
ATOM
1005
C
GLU
61
3.565

−3.174
−12.060
1.00
0.00
BrD
ATOM
1006
O
GLU
61
4.466

−3.601
−12.782
1.00
0.00
BrD
ATOM
1007
N
ARG
62
3.726

−2.137
−11.244
1.00
0.00
BrD
ATOM
1008
HN
ARG
62
2.971

−1.836
−10.697
1.00
0.00
BrD
ATOM
1009
CA
ARG
62
4.999

−1.420
−11.155
1.00
0.00
BrD
ATOM
1010
HA
ARG
62
5.352

−1.262
−12.162
1.00
0.00
BrD
ATOM
1011
CB
ARG
62
4.807

0.075
−10.468
1.00
0.00
BrD
ATOM
1012
HB1
ARG
62
5.753

−0.241
−10.052
1.00
0.00
BrD
ATOM
1013
HB2
ARG
62
4.091

0.187
−9.668
1.00
0.00
BrD
ATOM
1014
CG
ARG
62
4.312

1.018
−11.404
1.00
0.00
BrD
ATOM
1015
HG1
ARG
62
4.852

1.928
−11.195
1.00
0.00
BrD
ATOM
1016
HG2
ARG
62
4.494

0.714
−12.424
1.00
0.00
BrD
ATOM
1017
CD
ARG
62
2.826

1.278
−11.225
1.00
0.00
BrD
ATOM
1018
HD1
ARG
62
2.484

0.738
−10.356
1.00
0.00
BrD
ATOM
1019
HD2
ARG
62
2.675

2.336
−11.072
1.00
0.00
BrD
ATOM
1020
NE
ARG
62
2.052

−0.851
−12.387
1.00
0.00
BrD
ATOM
1021
HE
ARG
62
1.621

0.028
−12.346
1.00
0.00
BrD
ATOM
1022
CZ
ARG
62
1.903

1.585
−13.485
1.00
0.00
BrD
ATOM
1023
NH1
ARG
62
1.183

1.225
−14.498
1.00
0.00
BrD
ATOM
1024
HH11
ARG
62
1.072

1.678
−15.324
1.00
0.00
BrD
ATOM
1025
HH12
ARG
62
0.752

0.226
−14.437
1.00
0.00
BrD
ATOM
1026
NH2
ARG
62
2.473

2.780
−13.571
1.00
0.00
BrD
ATOM
1027
HH21
ARG
62
2.359

3.329
−14.399
1.00
0.00
BrD
ATOM
1028
HH22
ARG
62
3.018

−3.130
−12.809
1.00
0.00
BrD
ATOM
1029
C
ARG
62
6.040

−2.255
−10.405
1.00
0.00
BrD
ATOM
1030
O
ARG
62
7.101

−2.569
−10.945
1.00
0.00
BrD
ATOM
1031
N
LEU
63
5.734

−2.606
−9.158
1.00
0.00
BrD
ATOM
1032
HN
LEU
63
4.875

−2.326
−8.780
1.00
0.00
BrD
ATOM
1033
CA
LEU
63
6.651

−3.396
−8.339
1.00
0.00
BrD
ATOM
1034
HA
LEU
63
7.496

−2.771
−8.093
1.00
0.00
BrD
ATOM
1035
CB
LEU
63
5.962

−3.840
−7.043
1.00
0.00
BrD
ATOM
1036
HB1
LEU
63
5.009

−4.277
−7.302
1.00
0.00
BrD
ATOM
1037
HB2
LEU
63
5.780

−2.962
−6.442
1.00
0.00
BrD
ATOM
1038
CG
LEU
63
6.736

−4.857
−6.186
1.00
0.00
BrD
ATOM
1039
HG
LEU
63
6.629

−4.754
−5.156
1.00
0.00
BrD
ATOM
1040
CD1
LEU
63
8.237

−4.605
−6.247
1.00
0.00
BrD
ATOM
1041
HD11
LEU
63
8.420

−3.584
−6.547
1.00
0.00
BrD
ATOM
1042
HD12
LEU
63
8.685

−5.277
−6.965
1.00
0.00
BrD
ATOM
1043
HD13
LEU
63
8.671

−4.779
−5.273
1.00
0.00
BrD
ATOM
1044
CD2
LEU
63
6.414

−6.277
−6.627
1.00
0.00
BrD
ATOM
1045
HD21
LEU
63
7.332

−6.804
−6.842
1.00
0.00
BrD
ATOM
1046
HD22
LEU
63
5.798

−6.248
−7.514
1.00
0.00
BrD
ATOM
1047
HD23
LEU
63
5.883

−6.787
−5.836
1.00
0.00
BrD
ATOM
1048
C
LEU
63
7.150

−4.618
−9.103
1.00
0.00
BrD
ATOM
1049
O
LEU
63
8.354

−4.853
−9.203
1.00
0.00
BrD
ATOM
1050
N
LYS
64
6.224

−5.390
−9.643
1.00
0.00
BrD
ATOM
1051
HN
LYS
64
5.273

−5.150
−9.525
1.00
0.00
BrD
ATOM
1052
CA
LYS
64
6.551

−6.592
−10.397
1.00
0.00
BrD
ATOM
1053
HA
LYS
64
6.929

−7.325
−9.699
1.00
0.00
BrD
ATOM
1054
CB
LYS
64
5.303

−7.152
−11.082
1.00
0.00
BrD
ATOM
1055
HB1
LYS
64
4.649

−6.332
−11.340
1.00
0.00
BrD
ATOM
1056
HB2
LYS
64
5.602

−7.661
−11.987
1.00
0.00
BrD
ATOM
1057
CG
LYS
64
4.523

−8.131
−10.221
1.00
0.00
BrD
ATOM
1058
HG1
LYS
64
3.533

−7.734
−10.047
1.00
0.00
BrD
ATOM
1059
HG2
LYS
64
5.035

−8.254
−9.278
1.00
0.00
BrD
ATOM
1060
CD
LYS
64
4.198

−9.488
−10.894
1.00
0.00
BrD
ATOM
1061
HD1
LYS
64
3.363

−9.798
−10.870
1.00
0.00
BrD
ATOM
1062
HD2
LYS
64
4.726

−9.402
−11.920
1.00
0.00
BrD
ATOM
1063
CE
LYS
64
5.243

−10.538
−10.192
1.00
0.00
BrD
ATOM
1064
HE1
LYS
64
5.904

−10.043
−9.496
1.00
0.00
BrD
ATOM
1065
HE2
LYS
64
4.589

−11.207
−9.653
1.00
0.00
BrD
ATOM
1066
NZ
LYS
64
6.060

−11.330
−11.154
1.00
0.00
BrD
ATOM
1067
HZ1
LYS
64
6.712

−11.955
−10.638
1.00
0.00
BrD
ATOM
1068
HZ2
LYS
64
6.615

−10.693
−11.761
1.00
0.00
BrD
ATOM
1069
HZ3
LYS
64
5.441

−11.911
−11.754
1.00
0.00
BrD
ATOM
1070
C
LYS
64
7.629

−6.305
−11.439
1.00
0.00
BrD
ATOM
1071
O
LYS
64
8.276

−7.200
−11.834
1.00
0.00
BrD
ATOM
1072
N
ASN
65
7.705

−5.052
−11.880
1.00
0.00
BrD
ATOM
1073
HN
ASN
65
7.080

−4.383
−11.531
1.00
0.00
BrD
ATOM
1074
CA
ASN
65
8.688

−4.657
−12.883
1.00
0.00
BrD
ATOM
1075
HA
ASN
65
9.212

−5.547
−13.198
1.00
0.00
BrD
ATOM
1076
CB
ASN
65
7.989

−4.034
−14.092
1.00
0.00
BrD
ATOM
1077
HB1
ASN
65
8.680

−3.376
−14.600
1.00
0.00
BrD
ATOM
1078
HB2
ASN
65
7.137

−3.463
−13.754
1.00
0.00
BrD
ATOM
1079
CG
ASN
65
7.506

−5.076
−15.081
1.00
0.00
BrD
ATOM
1080
OD1
ASN
65
8.177

−6.080
−15.320
1.00
0.00
BrD
ATOM
1081
ND2
ASN
65
6.334

−4.844
−15.660
1.00
0.00
BrD
ATOM
1082
HD21
ASN
65
5.854

−4.024
−15.421
1.00
0.00
BrD
ATOM
1083
HD22
ASN
65
5.997

−5.502
−16.303
1.00
0.00
BrD
ATOM
1084
C
ASN
65
9.703

−3.677
−12.308
1.00
0.00
BrD
ATOM
1085
O
ASN
65
10.233

−2.829
−13.023
1.00
0.00
BrD
ATOM
1086
N
ARG
66
9.973

−3.804
−11.014
1.00
0.00
BrD
ATOM
1087
HN
ARG
66
9.523

−4.505
−10.498
1.00
0.00
BrD
ATOM
1088
CA
ARG
66
10.942

−2.943
−10.346
1.00
0.00
BrD
ATOM
1089
HA
ARG
66
10.826

−3.082
−9.281
1.00
0.00
BrD
ATOM
1090
CB
ARG
66
12.357

−3.347
−10.739
1.00
0.00
BrD
ATOM
1091
HB1
ARG
66
12.323

−3.875
−11.680
1.00
0.00
BrD
ATOM
1092
HB2
ARG
66
12.959

−2.458
−10.854
1.00
0.00
BrD
ATOM
1093
CG
ARG
66
13.018

−4.243
−9.713
1.00
0.00
BrD
ATOM
1094
HG1
ARG
66
13.744

−3.664
−9.163
1.00
0.00
BrD
ATOM
1095
HG2
ARG
66
12.262

−4.613
−9.038
1.00
0.00
BrD
ATOM
1096
CD
ARG
66
13.710

−5.423
−10.368
1.00
0.00
BrD
ATOM
1097
HD1
ARG
66
13.453

−5.439
−11.416
1.00
0.00
BrD
ATOM
1098
HD2
ARG
66
13.358

−6.329
−9.898
1.00
0.00
BrD
ATOM
1099
NE
ARG
66
15.162

−5.351
−10.237
1.00
0.00
BrD
ATOM
1100
HE
ARG
66
15.688

−5.255
−11.059
1.00
0.00
BrD
ATOM
1101
CZ
ARG
66
15.801

−5.407
−9.074
1.00
0.00
BrD
ATOM
1102
NH1
ARG
66
15.117

−5.536
−7.945
1.00
0.00
BrD
ATOM
1103
HH11
ARG
66
15.599

−5.578
−7.070
1.00
0.00
BrD
ATOM
1104
HH12
ARG
66
14.118

−5.591
−7.969
1.00
0.00
BrD
ATOM
1105
NH2
ARG
66
17.125

−5.334
−9.037
1.00
0.00
BrD
ATOM
1106
HH21
ARG
66
17.604

−5.377
−8.161
1.00
0.00
BrD
ATOM
1107
HH22
ARG
66
17.643

−5.237
−9.887
1.00
0.00
BrD
ATOM
1108
C
ARG
66
10.708

−1.474
−10.682
1.00
0.00
BrD
ATOM
1109
O
ARG
66
11.654

−0.705
−10.850
1.00
0.00
BrD
ATOM
1110
N
TYR
67
9.441

−1.097
−10.783
1.00
0.00
BrD
ATOM
1111
HN
TYR
67
8.736

1.759
−10.633
1.00
0.00
BrD
ATOM
1112
CA
TYR
67
9.075

0.280
−11.094
1.00
0.00
BrD
ATOM
1113
HA
TYR
67
9.952

0.780
−11.472
1.00
0.00
BrD
ATOM
1114
CB
TYR
67
7.982

−0.309
−12.264
1.00
0.00
BrD
ATOM
1115
HB1
TYR
67
7.062

−0.061
−11.738
1.00
0.00
BrD
ATOM
1116
HB2
TYR
67
8.276

0.330
−12.984
1.00
0.00
BrD
ATOM
1117
CG
TYR
67
7.713

1.687
−12.723
1.00
0.00
BrD
ATOM
1118
CD1
TYR
67
7.042

2.639
−11.970
1.00
0.00
BrD
ATOM
1119
HD1
TYR
67
6.718

2.385
−10.973
1.00
0.00
BrD
ATOM
1120
CD2
TYR
67
8.123

2.032
−14.005
1.00
0.00
BrD
ATOM
1121
HD2
TYR
67
8.645

1.301
−14.604
1.00
0.00
BrD
ATOM
1122
CE1
TYR
67
6.787

3.899
−12.475
1.00
0.00
BrD
ATOM
1123
HE1
TYR
67
6.261

4.625
−11.872
1.00
0.00
BrD
ATOM
1124
CE2
TYR
67
7.872

3.291
−14.518
1.00
0.00
BrD
ATOM
1125
HE2
TYR
67
8.198

3.541
−15.516
1.00
0.00
BrD
ATOM
1126
CZ
TYR
67
7.204

4.220
−13.749
1.00
0.00
BrD
ATOM
1127
OH
TYR
67
6.951

5.475
−14.256
1.00
0.00
BrD
ATOM
1128
HH
TYR
67
7.446

6.127
−13.753
1.00
0.00
BrD
ATOM
1129
C
TYR
67
8.606

1.006
−9.840
1.00
0.00
BrD
ATOM
1130
O
TYR
67
8.910

2.181
−9.639
1.00
0.00
BrD
ATOM
1131
N
TYR
68
7.880

−0.291
−8.990
1.00
0.00
BrD
ATOM
1132
HN
TYR
68
7.686

0.647
−9.197
1.00
0.00
BrD
ATOM
1133
CA
TYR
68
7.401

0.855
−7.736
1.00
0.00
BrD
ATOM
1134
HA
TYR
68
7.528

1.924
−7.788
1.00
0.00
BrD
ATOM
1135
CB
TYR
68
5.918

−0.531
−7.538
1.00
0.00
BrD
ATOM
1136
HB1
TYR
68
5.666

0.286
−8.188
1.00
0.00
BrD
ATOM
1137
HB2
TYR
68
5.758

0.234
−6.512
1.00
0.00
BrD
ATOM
1138
CG
TYR
68
4.987

1.689
−7.833
1.00
0.00
BrD
ATOM
1139
CD1
TYR
68
5.378

2.734
−8.664
1.00
0.00
BrD
ATOM
1140
HD1
TYR
68
6.364

2.717
−9.101
1.00
0.00
BrD
ATOM
1141
CD2
TYR
68
3.712

1.732
−7.283
1.00
0.00
BrD
ATOM
1142
HD2
TYR
68
3.392

0.927
−6.638
1.00
0.00
BrD
ATOM
1143
CE1
TYR
68
4.526

3.788
−8.933
1.00
0.00
BrD
ATOM
1144
HE1
TYR
68
4.849

4.591
−9.579
1.00
0.00
BrD
ATOM
1145
CE2
TYR
68
2.855

2.782
−7.549
1.00
0.00
BrD
ATOM
1146
HE2
TYR
68
1.868

2.797
−7.110
1.00
0.00
BrD
ATOM
1147
CZ
TYR
68
3.267

3.807
−8.374
1.00
0.00
BrD
ATOM
1148
OH
TYR
68
2.416

4.855
−8.639
1.00
0.00
BrD
ATOM
1149
HH
TYR
68
2.457

5.490
−7.920
1.00
0.00
BrD
ATOM
1150
C
TYR
68
8.206

0.327
−6.548
1.00
0.00
BrD
ATOM
1151
O
TYR
68
8.001

−0.759
−5.416
1.00
0.00
BrD
ATOM
1152
N
VAL
69
9.149

−0.579
−6.816
1.00
0.00
BrD
ATOM
1153
HN
VAL
69
9.267

−0.888
−7.735
1.00
0.00
BrD
ATOM
1154
CA
VAL
69
9.977

−1.170
−5.769
1.00
0.00
BrD
ATOM
1155
HA
VAL
69
9.397

−1.541
−5.285
1.00
0.00
BrD
ATOM
1156
CB
VAL
69
11.232

−1.825
−6.366
1.00
0.00
BrD
ATOM
1157
HB
VAL
69
10.922

−2.537
−7.117
1.00
0.00
BrD
ATOM
1158
CG1
VAL
69
12.107

−0.778
−7.032
1.00
0.00
BrD
ATOM
1159
HG11
VAL
69
11.701

−0.536
−8.003
1.00
0.00
BrD
ATOM
1160
HG12
VAL
69
13.108

1.165
−7.146
1.00
0.00
BrD
ATOM
1161
HG13
VAL
69
12.131

−0.111
−6.420
1.00
0.00
BrD
ATOM
1162
CG2
VAL
69
12.001

−2.572
−5.291
1.00
0.00
BrD
ATOM
1163
HG21
VAL
69
11.389

−3.370
−4.899
1.00
0.00
BrD
ATOM
1164
HG22
VAL
69
12.256

−1.889
−4.494
1.00
0.00
BrD
ATOM
1165
HG23
VAL
69
12.904

−2.985
−5.716
1.00
0.00
BrD
ATOM
1166
C
VAL
69
10.409

−0.149
−4.717
1.00
0.00
BrD
ATOM
1167
O
VAL
69
10.642

0.506
−3.565
1.00
0.00
BrD
ATOM
1168
N
SER
70
10.508

1.123
−5.110
1.00
0.00
BrD
ATOM
1169
HN
SER
70
10.321

1.350
−6.044
1.00
0.00
BrD
ATOM
1170
CA
SER
70
10.909

2.190
−4.189
1.00
0.00
BrD
ATOM
1171
HA
SER
70
12.983

2.145
−4.081
1.00
0.00
BrD
ATOM
1172
CB
SER
70
10.525

3.552
−4.767
1.00
0.00
BrD
ATOM
1173
HB1
SER
70
11.246

3.838
−5.518
1.00
0.00
BrD
ATOM
1174
HB2
SER
70
9.546

3.483
−5.216
1.00
0.00
BrD
ATOM
1175
OG
SER
70
10.498

4.547
−3.758
1.00
0.00
BrD
ATOM
1176
HG
SER
70
10.908

5.349
−4.088
1.00
0.00
BrD
ATOM
1177
C
SER
70
10.268

2.011
−2.810
1.00
0.00
BrD
ATOM
1178
O
SER
70
9.252

1.330
−2.674
1.00
0.00
BrD
ATOM
1179
N
LYS
71
10.881

2.605
−1.791
1.00
0.00
BrD
ATOM
1180
HN
LYS
71
11.700

3.118
−1.958
1.00
0.00
BrD
ATOM
1181
CA
LYS
71
10.393

2.470
−0.422
1.00
0.00
BrD
ATOM
1182
HA
LYS
71
10.268

1.415
−0.226
1.00
0.00
BrD
ATOM
1183
CB
LYS
71
11.419

2.026
0.564
1.00
0.00
BrD
ATOM
1184
HB1
LYS
71
10.915

3.287
1.485
1.00
0.00
BrD
ATOM
1185
HB2
LYS
71
11.848

3.933
0.142
1.00
0.00
BrD
ATOM
1186
CG
LYS
71
12.550

2.074
0.888
1.00
0.00
BrD
ATOM
1187
HG1
LYS
71
13.159

2.237
0.191
1.00
0.00
BrD
ATOM
1188
HG2
LYS
71
12.188

1.061
0.791
1.00
0.00
BrD
ATOM
1189
CD
LYS
71
13.069

2.279
2.302
1.00
0.00
BrD
ATOM
1190
HD1
LYS
71
12.295

2.001
3.002
1.00
0.00
BrD
ATOM
1191
HD2
LYS
71
13.936

1.652
2.452
1.00
0.00
BrD
ATOM
1192
CE
LYS
71
13.460

3.727
2.548
1.00
0.00
BrD
ATOM
1193
HE1
LYS
71
14.024

4.084
1.699
1.00
0.00
BrD
ATOM
1194
HE2
LYS
71
12.561

4.316
2.655
1.00
0.00
BrD
ATOM
1195
NZ
LYS
71
14.287

3.879
3.777
1.00
0.00
BrD
ATOM
1196
HZ1
LYS
71
13.870

3.334
4.558
1.00
0.00
BrD
ATOM
1197
HZ2
LYS
71
14.334

4.880
4.055
1.00
0.00
BrD
ATOM
1198
HZ3
LYS
71
15.252

3.533
3.604
1.00
0.00
BrD
ATOM
1199
C
LYS
71
9.041

3.160
−0.231
1.00
0.00
BrD
ATOM
1200
O
LYS
71
7.992

2.529
−0.362
1.00
0.00
BrD
ATOM
1201
N
LYS
72
9.070

4.447
0.109
1.00
0.00
BrD
ATOM
1202
HN
LYS
72
9.933

4.898
0.211
1.00
0.00
BrD
ATOM
1203
CA
LYS
72
7.844

5.201
0.351
1.00
0.00
BrD
ATOM
1204
HA
LYS
72
7.396

4.818
1.255
1.00
0.00
BrD
ATOM
1205
CB
LYS
72
8.167

6.684
0.547
1.00
0.00
BrD
ATOM
1206
HB1
LYS
72
7.249

7.216
0.752
1.00
0.00
BrD
ATOM
1207
HB2
LYS
72
8.601

7.707
−0.364
1.00
0.00
BrD
ATOM
1208
CG
LYS
72
9.136

6.950
1.687
1.00
0.00
BrD
ATOM
1209
HG1
LYS
72
9.870

6.158
1.715
1.00
0.00
BrD
ATOM
1210
HG2
LYS
72
9.629

7.895
1.515
1.00
0.00
BrD
ATOM
1211
CD
LYS
72
8.419

7.004
3.027
1.00
0.00
BrD
ATOM
1212
HD1
LYS
72
7.833

6.104
3.147
1.00
0.00
BrD
ATOM
1213
HD2
LYS
72
9.155

7.065
3.816
1.00
0.00
BrD
ATOM
1214
CE
LYS
72
7.497

8.208
3.117
1.00
0.00
BrD
ATOM
1215
HE1
LYS
72
7.708

8.869
2.288
1.00
0.00
BrD
ATOM
1216
HE2
LYS
72
6.474

7.868
3.054
1.00
0.00
BrD
ATOM
1217
NZ
LYS
72
7.681

8.956
4.391
1.00
0.00
BrD
ATOM
1218
HZ1
LYS
72
8.150

8.352
5.096
1.00
0.00
BrD
ATOM
1219
HZ2
LYS
72
6.750

9.256
4.766
1.00
0.00
BrD
ATOM
1220
HZ3
LYS
72
8.267

9.800
4.229
1.00
0.00
BrD
ATOM
1221
C
LYS
72
6.852

5.034
−0.794
1.00
0.00
BrD
ATOM
1222
O
LYS
72
5.641

5.001
−0.578
1.00
0.00
BrD
ATOM
1223
N
LEU
73
7.370

4.933
−2.011
1.00
0.00
BrD
ATOM
1224
HN
LEU
73
8.343

4.972
−2.221
1.00
0.00
BrD
ATOM
1225
CA
LEU
73
6.528

4.786
−3.191
1.00
0.00
BrD
ATOM
1226
HA
LEU
73
5.982

5.708
−3.323
1.00
0.00
BrD
ATOM
1227
CB
LEU
73
7.394

4.539
−4.427
1.00
0.00
BrD
ATOM
1228
HB1
LEU
73
7.447

3.474
−4.596
1.00
0.00
BrD
ATOM
1229
HB2
LEU
73
8.389

4.903
−4.219
1.00
0.00
BrD
ATOM
1230
CG
LEU
73
6.896

5.206
−5.711
1.00
0.00
BrD
ATOM
1231
HG
LEU
73
5.937

4.787
−5.978
1.00
0.00
BrD
ATOM
1232
CD1
LEU
73
7.860

4.943
−6.857
1.00
0.00
BrD
ATOM
1233
HD11
LEU
73
8.166

3.907
−6.840
1.00
0.00
BrD
ATOM
1234
HD12
LEU
73
8.729

5.576
−6.750
1.00
0.00
BrD
ATOM
1235
HD13
LEU
73
7.372

5.158
−7.796
1.00
0.00
BrD
ATOM
1236
CD2
LEU
73
6.710

6.701
−5.498
1.00
0.00
BrD
ATOM
1237
HD21
LEU
73
7.104

6.979
−4.531
1.00
0.00
BrD
ATOM
1238
HD22
LEU
73
5.659

6.943
−5.541
1.00
0.00
BrD
ATOM
1239
HD23
LEU
73
7.237

7.243
−6.270
1.00
0.00
BrD
ATOM
1240
C
LEU
73
5.528

3.645
−3.025
1.00
0.00
BrD
ATOM
1241
O
LEU
73
4.318

3.860
−3.061
1.00
0.00
BrD
ATOM
1242
N
PHE
74
6.041

2.432
−2.860
1.00
0.00
BrD
ATOM
1243
HN
PHE
74
7.041

2.322
−2.855
1.00
0.00
BrD
ATOM
1244
CA
PHE
74
5.192

1.253
−2.721
1.00
0.00
BrD
ATOM
1245
HA
PHE
74
4.364

−1.359
−3.406
1.00
0.00
BrD
ATOM
1246
CB
PHE
74
5.984

−0.003
−3.084
1.00
0.00
BrD
ATOM
1247
HB1
PHE
74
6.730

0.181
−2.324
1.00
0.00
BrD
ATOM
1248
HB2
PHE
74
6.473

−0.154
−4.030
1.00
0.00
BrD
ATOM
1249
CG
PHE
74
5.141

−1.240
−3.202
1.00
0.00
BrD
ATOM
1250
CD1
PHE
74
4.952

−1.851
−4.431
1.00
0.00
BrD
ATOM
1251
HD1
PHE
74
5.412

−1.425
−5.311
1.00
0.00
BrD
ATOM
1252
CD2
PHE
74
4.546

−1.797
−2.082
1.00
0.00
BrD
ATOM
1253
HD2
PHE
74
4.692

−1.332
−1.118
1.00
0.00
BrD
ATOM
1254
CE3
PHE
74
4.181

−2.993
−4.542
1.00
0.00
BrD
ATOM
1255
HE1
PHE
74
4.039

−3.458
−5.506
1.00
0.00
BrD
ATOM
1256
CE2
PHE
74
3.780

−2.942
−2.186
1.00
0.00
BrD
ATOM
1257
HE2
PHE
74
3.315

−3.362
−1.304
1.00
0.00
BrD
ATOM
1258
CZ
PHE
74
3.593

−3.538
−3.418
1.00
0.00
BrD
ATOM
1259
HZ
PHE
74
2.989

4.430
−3.502
1.00
0.00
BrD
ATOM
1260
C
PHE
74
4.643

1.116
−2.305
1.00
0.00
BrD
ATOM
1261
O
PHE
74
3.503

0.694
−1.111
1.00
0.00
BrD
ATOM
1262
N
MET
75
5.466

1.447
−0.318
1.00
0.00
BrD
ATOM
1263
HN
MET
75
6.372

1.755
−0.532
1.00
0.00
BrD
ATOM
1264
CA
MET
75
5.072

1.308
1.078
1.00
0.00
BrD
ATOM
1265
HA
MET
75
4.603

0.339
1.187
1.00
0.00
BrD
ATOM
1266
CB
MET
75
6.300

1.365
1.984
1.00
0.00
BrD
ATOM
1267
HB1
MET
75
6.001

1.734
2.954
1.00
0.00
BrD
ATOM
1268
HB2
MET
75
7.021

2.043
1.554
1.00
0.00
BrD
ATOM
1269
CG
MET
75
6.966

0.014
2.171
1.00
0.00
BrD
ATOM
1270
HG1
MET
75
7.524

−0.029
3.092
1.00
0.00
BrD
ATOM
1271
HG2
MET
75
6.200

−0.744
2.231
1.00
0.00
BrD
ATOM
1272
SD
MET
75
8.086

−0.403
0.822
1.00
0.00
BrD
ATOM
1273
CE
MET
75
8.173

−2.182
1.002
1.00
0.00
BrD
ATOM
1274
HE1
MET
75
7.211

−2.557
1.319
1.00
0.00
BrD
ATOM
1275
HE2
MET
75
8.917

−2.435
1.741
1.00
0.00
BrD
ATOM
1276
HE3
MET
75
8.438

2.630
0.054
1.00
0.00
BrD
ATOM
1277
C
MET
75
4.067

2.374
1.496
1.00
0.00
BrD
ATOM
1278
O
MET
75
2.939

2.052
1.866
1.00
0.00
BrD
ATOM
1279
N
ALA
76
4.472

3.642
1.462
1.00
0.00
BrD
ATOM
1280
HN
ALA
76
5.380

3.854
1.163
1.00
0.00
BrD
ATOM
1281
CA
ALA
76
3.573

4.722
1.861
1.00
0.00
BrD
ATOM
1282
HA
ALA
76
3.409

4.538
2.922
1.00
0.00
BrD
ATOM
1283
CB
ALA
76
4.182

6.083
1.595
1.00
0.00
BrD
ATOM
1284
HB1
ALA
76
4.234

6.252
0.531
1.00
0.00
BrD
ATOM
1285
HB2
ALA
76
5.172

6.125
2.021
1.00
0.00
BrD
ATOM
1286
HB3
ALA
76
3.558

6.842
2.049
1.00
0.00
BrD
ATOM
1287
C
ALA
76
2.240

4.601
1.147
1.00
0.00
BrD
ATOM
1288
O
ALA
76
1.211

5.026
1.666
1.00
0.00
BrD
ATOM
1289
N
ASP
77
2.270

4.014
−0.044
1.00
0.00
BrD
ATOM
1290
HN
ASP
77
3.124

3.685
−0.394
1.00
0.00
BrD
ATOM
1291
CA
ASP
77
1.058

3.804
−0.918
1.00
0.00
BrD
ATOM
1292
HA
ASP
77
0.460

4.701
−0.750
1.00
0.00
BrD
ATOM
1293
CB
ASP
77
1.392

2.534
−2.283
1.00
0.00
BrD
ATOM
1294
HB1
ASP
77
2.196

2.817
−2.334
1.00
0.00
BrD
ATOM
1295
HB2
ASP
77
0.521

3.128
−2.776
1.00
0.00
BrD
ATOM
1296
CG
ASP
77
1.817

4.790
−3.018
1.00
0.00
BrD
ATOM
1297
OD1
ASP
77
1.353

4.995
−4.159
1.00
0.00
BrD
ATOM
1298
OD2
ASP
77
2.613

5.569
−2.453
1.00
0.00
BrD
ATOM
1299
C
ASP
77
0.268

2.641
−0.243
1.00
0.00
BrD
ATOM
1300
O
ASP
77
−0.958

2.717
−0.113
1.00
0.00
BrD
ATOM
1301
N
LEU
78
0.970

1.569
0.119
1.00
0.00
BrD
ATOM
1302
HN
LEU
78
1.944

1.570
0.006
1.00
0.00
BrD
ATOM
1303
CA
LEU
78
0.319

0.411
0.711
1.00
0.00
BrD
ATOM
1304
HA
LEU
78
−0.493

−0.122
0.060
1.00
0.00
BrD
ATOM
1305
CB
LEU
78
1.280

−0.761
0.849
1.00
0.00
BrD
ATOM
1306
HB1
LEU
78
2.212

−0.516
0.358
1.00
0.00
BrD
ATOM
1307
HB2
LEU
78
1.480

−0.922
1.900
1.00
0.00
BrD
ATOM
1308
CG
LEU
78
0.736

−2.052
0.259
1.00
0.00
BrD
ATOM
1309
HG
LEU
78
−0.338

−2.023
0.293
1.00
0.00
BrD
ATOM
1310
CD1
LEU
78
1.143

−2.189
−1.193
1.00
0.00
BrD
ATOM
1311
HD11
LEU
78
1.413

−3.213
−1.398
1.00
0.00
BrD
ATOM
1312
HD12
LEU
78
1.985

−2.543
−1.388
1.00
0.00
BrD
ATOM
1313
HD13
LEU
78
0.317

−1.901
−1.825
1.00
0.00
BrD
ATOM
1314
CD2
LEU
78
1.189

−3.236
1.078
1.00
0.00
BrD
ATOM
1315
HD21
LEU
78
2.264

−3.266
1.099
1.00
0.00
BrD
ATOM
1316
HD22
LEU
78
0.808

−4.145
0.640
1.00
0.00
BrD
ATOM
1317
HD23
LEU
78
0.809

3.130
2.084
1.00
0.00
BrD
ATOM
1318
C
LEU
78
−0.253

−0.769
2.066
1.00
0.00
BrD
ATOM
1319
O
LEU
78
−1.459

0.663
2.292
1.00
0.00
BrD
ATOM
1320
N
GLN
79
0.611

1.252
2.952
1.00
0.00
BrD
ATOM
1321
HN
GLN
79
1.551

1.353
2.700
1.00
0.00
BrD
ATOM
1322
CA
GLN
79
0.171

1.723
4.254
1.00
0.00
BrD
ATOM
1323
HA
GLN
79
−0.198

0.873
4.807
1.00
0.00
BrD
ATOM
1324
CB
GLN
79
1.338

2.361
5.015
1.00
0.00
BrD
ATOM
1325
HB1
GLN
79
1.045

2.520
6.038
1.00
0.00
BrD
ATOM
1326
HB2
GLN
79
2.180

1.686
4.991
1.00
0.00
BrD
ATOM
1327
CG
GLN
79
1.781

3.694
4.448
1.00
0.00
BrD
ATOM
1328
HG1
GLN
79
1.501

3.740
3.407
1.00
0.00
BrD
ATOM
1329
HG2
GLN
79
2.855

3.766
4.538
1.00
0.00
BrD
ATOM
1330
CD
GLN
79
1.150

4.871
5.172
1.00
0.00
BrD
ATOM
1331
OE1
GLN
79
0.409

5.651
4.585
1.00
0.00
BrD
ATOM
1332
NH2
GLN
79
1.467

5.005
6.457
1.00
0.00
BrD
ATOM
1333
HE21
GLN
79
1.079

5.757
6.950
1.00
0.00
BrD
ATOM
1334
HE22
GLN
79
2.070

4.346
6.859
1.00
0.00
BrD
ATOM
1335
C
GLN
79
−0.968

2.732
4.074
1.00
0.00
BrD
ATOM
1336
O
GLN
79
−1.787

2.924
4.964
1.00
0.00
BrD
ATOM
1337
N
ARG
80
−0.997

3.356
2.895
1.00
0.00
BrD
ATOM
1338
HN
ARG
80
−0.321

3.140
2.216
1.00
0.00
BrD
ATOM
1339
CA
ARG
80
−2.048

4.306
2.560
1.00
0.00
BrD
ATOM
1340
HA
ARG
80
−2.275

4.880
3.447
1.00
0.00
BrD
ATOM
1341
CB
ARG
80
−1.579

5.253
1.451
1.00
0.00
BrD
ATOM
1342
HB1
ARG
80
−2.401

5.429
0.773
1.00
0.00
BrD
ATOM
1343
HB2
ARG
80
−0.770

4.785
0.908
1.00
0.00
BrD
ATOM
1344
CG
ARG
80
−1.092

6.598
1.964
1.00
0.00
BrD
ATOM
1345
HG1
ARG
80
−0.290

6.434
2.669
1.00
0.00
BrD
ATOM
1346
HG2
ARG
80
−0.728

7.180
1.131
1.00
0.00
BrD
ATOM
1347
CD
ARG
80
−2.206

7.367
2.654
1.00
0.00
BrD
ATOM
1348
HD1
ARG
80
−3.054

6.711
2.780
1.00
0.00
BrD
ATOM
1349
HD2
ARG
80
−2.486

8.203
2.031
1.00
0.00
BrD
ATOM
1350
NE
ARG
80
−1.796

7.867
3.962
1.00
0.00
BrD
ATOM
1351
HE
ARG
80
−0.837

7.874
4.166
1.00
0.00
BrD
ATOM
1352
CZ
ARG
80
−2.688

8.310
4.881
1.00
0.00
BrD
ATOM
1353
NH1
ARG
80
−2.198

8.750
6.047
1.00
0.00
BrD
ATOM
1354
HH11
ARG
80
−1.216

8.749
6.237
1.00
0.00
BrD
ATOM
1355
HH12
ARG
80
−2.840

9.083
6.738
1.00
0.00
BrD
ATOM
1356
NH2
ARG
80
−3.950

8.314
4.633
1.00
0.00
BrD
ATOM
1357
HH21
ARG
80
−4.590

8.647
5.326
1.00
0.00
BrD
ATOM
1358
HH22
ARG
80
−4.293

7.983
3.754
1.00
0.00
BrD
ATOM
1359
C
ARG
80
−3.305

3.568
2.114
1.00
0.00
BrD
ATOM
1360
O
ARG
80
−4.417

3.922
2.502
1.00
0.00
BrD
ATOM
1361
N
VAL
81
−3.116

2.536
1.293
1.00
0.00
BrD
ATOM
1362
HN
VAL
81
−2.203

2.301
1.024
1.00
0.00
BrD
ATOM
1363
CA
VAL
81
−4.231

1.738
0.799
1.00
0.00
BrD
ATOM
1364
HA
VAL
81
−4.849

2.374
0.182
1.00
0.00
BrD
ATOM
1365
CB
VAL
81
−3.742

−0.556
−0.063
1.00
0.00
BrD
ATOM
1366
HB
VAL
81
−3.104

0.068
0.546
1.00
0.00
BrD
ATOM
1367
CG1
VAL
81
−2.926

1.057
−1.244
1.00
0.00
BrD
ATOM
1368
HG11
VAL
81
−3.467

0.861
−2.159
1.00
0.00
BrD
ATOM
1369
HG12
VAL
81
−1.973

0.545
−1.268
1.00
0.00
BrD
ATOM
1370
HG13
VAL
81
−2.763

−2.119
−1.146
1.00
0.00
BrD
ATOM
1371
CG2
VAL
81
−4.916

−0.287
−0.539
1.00
0.00
BrD
ATOM
1372
HG21
VAL
81
−4.851

0.425
−1.608
1.00
0.00
BrD
ATOM
1373
HG22
VAL
81
−5.841

−0.215
−0.297
1.00
0.00
BrD
ATOM
1374
HG23
VAL
81
−4.890

1.250
−0.050
1.00
0.00
BrD
ATOM
1375
C
VAL
81
−5.069

1.206
1.957
1.00
0.00
BrD
ATOM
1376
O
VAL
81
−6.293

1.339
1.964
1.00
0.00
BrD
ATOM
1377
N
PHE
82
−4.400

0.610
2.937
1.00
0.00
BrD
ATOM
1378
HN
PHE
82
−3.424

0.540
2.876
1.00
0.00
BrD
ATOM
1379
CA
PHE
82
−5.079

−0.070
4.108
1.00
0.00
BrD
ATOM
1380
HA
PHE
82
−5.919

−0.514
3.764
1.00
0.00
BrD
ATOM
1381
CB
PHE
82
−4.131

−0.833
4.899
1.00
0.00
BrD
ATOM
1382
HB1
PHE
82
−3.486

−0.220
5.511
1.00
0.00
BrD
ATOM
1383
HB2
PHE
82
−4.712

−1.484
5.536
1.00
0.00
BrD
ATOM
1384
CG
PHE
82
−3.261

−1.695
4.028
1.00
0.00
BrD
ATOM
1385
CD1
PHE
82
−1.979

−2.035
4.428
1.00
0.00
BrD
ATOM
1386
HD1
PHE
82
−1.606

−1.677
5.376
1.00
0.00
BrD
ATOM
1387
CD2
PHE
82
−3.725

−2.162
2.809
1.00
0.00
BrD
ATOM
1388
HD2
PHE
82
−4.723

−1.901
2.487
1.00
0.00
BrD
ATOM
1389
CE1
PHE
82
−1.177

−2.827
3.628
1.00
0.00
BrD
ATOM
1390
HE1
PHE
82
−0.179

−3.085
3.951
1.00
0.00
BrD
ATOM
1391
CE2
PHE
82
−2.928

−2.952
2.004
1.00
0.00
BrD
ATOM
1392
HE2
PHE
82
−3.302

−3.311
1.057
1.00
0.00
BrD
ATOM
1393
CZ
PHE
82
−1.651

−3.284
2.413
1.00
0.00
BrD
ATOM
1394
HZ
PHE
82
−1.029

3.906
1.789
1.00
0.00
BrD
ATOM
1395
C
PHE
82
−5.594

1.197
4.996
1.00
0.00
BrD
ATOM
1396
O
PHE
82
−6.745

1.180
5.431
1.00
0.00
BrD
ATOM
1397
N
THR
83
−4.740

2.185
5.241
1.00
0.00
BrD
ATOM
1398
HN
THR
83
−3.841

2.149
4.852
1.00
0.00
BrD
ATOM
1399
CA
THR
83
−5.119

3.337
6.048
1.00
0.00
BrD
ATOM
1400
HA
THR
83
−5.427

2.977
7.019
1.00
0.00
BrD
ATOM
1401
CB
THR
83
−3.927

4.282
6.216
1.00
0.00
BrD
ATOM
1402
HB
THR
83
−3.525

4.516
5.240
1.00
0.00
BrD
ATOM
1403
OG1
THR
83
−2.905

3.666
6.982
1.00
0.00
BrD
ATOM
1404
HG1
THR
83
−3.138

3.699
7.913
1.00
0.00
BrD
ATOM
1405
CG2
THR
83
−4.283

5.589
6.892
1.00
0.00
BrD
ATOM
1406
HG21
THR
83
−4.813

4.222
6.196
1.00
0.00
BrD
ATOM
1407
HG22
THR
83
−3.379

6.085
7.214
1.00
0.00
BrD
ATOM
1408
HG23
THR
83
−4.910

5.391
7.749
1.00
0.00
BrD
ATOM
1409
C
THR
83
−6.286

4.077
5.402
1.00
0.00
BrD
ATOM
1410
O
THR
83
−7.073

4.735
6.082
1.00
0.00
BrD
ATOM
1411
N
ASN
84
−6.391

3.956
4.082
1.00
0.00
BrD
ATOM
1412
HN
ASN
84
−5.732

3.418
3.597
1.00
0.00
BrD
ATOM
1413
CA
ASN
84
−7.458

4.609
3.334
1.00
0.00
BrD
ATOM
1414
HA
ASN
84
−7.546

5.622
3.698
1.00
0.00
BrD
ATOM
1415
CB
ASN
84
−7.113

4.640
1.844
1.00
0.00
BrD
ATOM
1416
HB1
ASN
84
−7.095

3.629
1.464
1.00
0.00
BrD
ATOM
1417
HB2
ASN
84
−6.138

5.086
1.716
1.00
0.00
BrD
ATOM
1418
CG
ASN
84
−8.115

5.438
1.035
1.00
0.00
BrD
ATOM
1419
OD1
ASN
84
−9.269

5.596
1.433
1.00
0.00
BrD
ATOM
1420
ND2
ASN
84
−7.677

5.965
−0.111
1.00
0.00
BrD
ATOM
1421
HD21
ASN
84
−6.745

5.778
−0.365
1.00
0.00
BrD
ATOM
1422
HD22
ASN
84
−8.302

6.465
−0.655
1.00
0.00
BrD
ATOM
1423
C
ASN
84
−8.788

3.893
3.544
1.00
0.00
BrD
ATOM
1424
O
ASN
84
−9.745

4.477
4.051
1.00
0.00
BrD
ATOM
1425
N
CYS
85
−8.842

2.623
3.150
1.00
0.00
BrD
ATOM
1426
HN
CYS
85
−8.046

2.213
2.751
1.00
0.00
BrD
ATOM
1427
CA
CYS
85
−10.058

1.827
3.291
1.00
0.00
BrD
ATOM
1428
HA
CYS
85
−10.778

2.193
2.575
1.00
0.00
BrD
ATOM
1429
CB
CYS
85
−9.765

0.354
2.995
1.00
0.00
BrD
ATOM
1430
HB1
CYS
85
−8.806

−0.277
2.504
1.00
0.00
BrD
ATOM
1431
HB2
CYS
85
−9.712

−0.193
3.926
1.00
0.00
BrD
ATOM
1432
SG
CYS
85
−10.992

−0.444
1.933
1.00
0.00
BrD
ATOM
1433
HG
CYS
85
−10.844

0.144
1.033
1.00
0.00
BrD
ATOM
1434
C
CYS
85
−10.645

1.365
4.693
1.00
0.00
BrD
ATOM
1435
O
CYS
85
−11.842

2.203
6.854
1.00
0.00
BrD
ATOM
1436
N
LYS
86
−9.794

1.817
5.701
1.00
0.00
BrD
ATOM
1437
HN
LYS
86
−8.852

1.626
5.508
1.00
0.00
BrD
ATOM
1438
CA
LYS
86
−10.228

1.921
7.089
1.00
0.00
BrD
ATOM
1439
HA
LYS
86
−11.111

1.310
7.203
1.00
0.00
BrD
ATOM
1440
CB
LYS
86
−9.137

1.395
8.023
1.00
0.00
BrD
ATOM
1441
HB1
LYS
86
−9.063

0.325
7.903
1.00
0.00
BrD
ATOM
1442
HB2
LYS
86
−9.416

1.616
9.043
1.00
0.00
BrD
ATOM
1443
CG
LYS
86
−7.768

1.998
7.763
1.00
0.00
BrD
ATOM
1444
HG1
LYS
86
−7.809

2.583
6.857
1.00
0.00
BrD
ATOM
1445
HG2
LYS
86
−7.050

1.199
7.645
1.00
0.00
BrD
ATOM
1446
CD
LYS
86
−7.325

2.892
8.910
1.00
0.00
BrD
ATOM
1447
HD1
LYS
86
−6.477

3.478
8.590
1.00
0.00
BrD
ATOM
1448
HD2
LYS
86
−8.140

3.548
9.177
1.00
0.00
BrD
ATOM
1449
CE
LYS
86
−6.929

2.076
10.130
1.00
0.00
BrD
ATOM
1450
HE1
LYS
86
−7.418

1.114
10.078
1.00
0.00
BrD
ATOM
1451
HE2
LYS
86
−5.858

1.935
10.120
1.00
0.00
BrD
ATOM
1452
NZ
LYS
86
−7.317

2.749
11.400
1.00
0.00
BrD
ATOM
1453
HZ1
LYS
86
−8.019

2.174
11.909
1.00
0.00
BrD
ATOM
1454
HZ2
LYS
86
−7.729

3.682
11.199
1.00
0.00
BrD
ATOM
1455
HZ3
LYS
86
−6.482

2.874
12.008
1.00
0.00
BrD
ATOM
1456
C
LYS
86
−10.379

3.360
7.456
1.00
0.00
BrD
ATOM
1457
O
LYS
86
−11.293

3.603
8.429
1.00
0.00
BrD
ATOM
1458
N
GLU
87
−10.076

4.314
6.676
1.00
0.00
BrD
ATOM
1459
HN
GLU
87
−9.514

4.064
5.914
1.00
0.00
BrD
ATOM
1460
CA
GLU
87
−10.350

5.724
6.926
1.00
0.00
BrD
ATOM
1461
HA
GLU
87
−10.510

5.848
7.986
1.00
0.00
BrD
ATOM
1462
CB
GLU
87
−9.158

6.583
6.498
1.00
0.00
BrD
ATOM
1463
HB1
GLU
87
−9.513

7.572
6.249
1.00
0.00
BrD
ATOM
1464
HB2
GLU
87
−8.706

6.141
5.622
1.00
0.00
BrD
ATOM
1465
CG
GLU
87
−8.088

6.716
7.570
1.00
0.00
BrD
ATOM
1466
HG1
GLU
87
−7.954

5.757
8.048
1.00
0.00
BrD
ATOM
1467
HG2
GLU
87
−7.163

7.016
7.101
1.00
0.00
BrD
ATOM
1468
CD
GLU
87
−8.446

7.740
8.629
1.00
0.00
BrD
ATOM
1469
OE1
GLU
87
−9.092

8.751
8.283
1.00
0.00
BrD
ATOM
1470
OE2
GLU
87
−8.079

7.531
9.805
1.00
0.00
BrD
ATOM
1471
C
GLU
87
−11.504

6.172
6.183
1.00
0.00
BrD
ATOM
1472
O
GLU
87
−12.542

6.692
6.787
1.00
0.00
BrD
ATOM
1473
N
TYR
88
−11.617

5.962
4.871
1.00
0.00
BrD
ATOM
1474
HN
TYR
88
−10.840

5.541
4.446
1.00
0.00
BrD
ATOM
1475
CA
TYR
88
−12.759

6.339
6.046
1.00
0.00
BrD
ATOM
1476
HA
TYR
88
−13.070

7.330
4.344
1.00
0.00
BrD
ATOM
1477
CB
TYR
88
−12.361

6.363
2.568
1.00
0.00
BrD
ATOM
1478
HB1
TYR
88
−11.320

6.602
2.489
1.00
0.00
BrD
ATOM
1479
HB2
TYR
88
−12.537

5.388
2.139
1.00
0.00
BrD
ATOM
1480
CG
TYR
88
−13.128

7.276
1.748
1.00
0.00
BrD
ATOM
1481
CD1
TYR
88
−12.606

8.640
1.505
1.00
0.00
BrD
ATOM
1482
HD1
TYR
88
−11.639

8.896
1.914
1.00
0.00
BrD
ATOM
1483
CD2
TYR
88
−14.372

7.077
1.213
1.00
0.00
BrD
ATOM
1484
HD2
TYR
88
−14.792

6.087
1.392
1.00
0.00
BrD
ATOM
1485
CE1
TYR
88
−13.302

9.568
0.755
1.00
0.00
BrD
ATOM
1486
HE1
TYR
88
−12.880

10.546
0.578
1.00
0.00
BrD
ATOM
1487
CE2
TYR
88
−15.075

7.989
0.462
1.00
0.00
BrD
ATOM
1488
HE2
TYR
88
−16.042

7.730
0.055
1.00
0.00
BrD
ATOM
1489
CZ
TYR
88
−14.536

9.238
0.236
1.00
0.00
BrD
ATOM
1490
OH
TYR
88
−15.233

10.159
−0.512
1.00
0.00
BrD
ATOM
1491
HH
TYR
88
−15.995

10.465
−0.014
1.00
0.00
BrD
ATOM
1492
C
TYR
88
−13.923

5.372
4.256
1.00
0.00
BrD
ATOM
1493
O
TYR
88
−14.369

4.711
3.320
1.00
0.00
BrD
ATOM
1494
N
ASN
89
−14.408

5.298
5.492
1.00
0.00
BrD
ATOM
1495
HN
ASN
89
−14.012

5.852
6.195
1.00
0.00
BrD
ATOM
1496
CA
ASN
89
−15.518

4.414
5.827
1.00
0.00
BrD
ATOM
1497
HA
ASN
89
−16.155

4.336
4.958
1.00
0.00
BrD
ATOM
1498
CB
ASN
89
−14.996

3.023
6.192
1.00
0.00
BrD
ATOM
1499
HB1
ASN
89
−15.816

2.421
6.557
1.00
0.00
BrD
ATOM
1500
HB2
ASN
89
−14.578

2.559
5.311
1.00
0.00
BrD
ATOM
1501
CG
ASN
89
−13.925

3.072
7.263
1.00
0.00
BrD
ATOM
1502
OD1
ASN
89
−13.552

4.147
7.734
1.00
0.00
BrD
ATOM
1503
ND2
ASN
89
−13.424

1.906
7.655
1.00
0.00
BrD
ATOM
1504
HD21
ASN
89
−13.770

1.090
7.236
1.00
0.00
BrD
ATOM
1505
HD22
ASN
89
−12.731

1.909
8.347
1.00
0.00
BrD
ATOM
1506
C
ASN
89
−16.332

4.982
6.985
1.00
0.00
BrD
ATOM
1507
O
ASN
89
−16.088

4.658
8.147
1.00
0.00
BrD
ATOM
1508
N
ALA
90
−17.296

5.836
6.659
1.00
0.00
BrD
ATOM
1509
HN
ALA
90
−17.438

6.058
5.715
1.00
0.00
BrD
ATOM
1510
CA
ALA
90
−18.142

6.458
7.670
1.00
0.00
BrD
ATOM
1511
HA
ALA
90
−17.525

7.122
8.258
1.00
0.00
BrD
ATOM
1512
CB
ALA
90
−19.228

7.291
7.006
1.00
0.00
BrD
ATOM
1513
HB1
ALA
90
−19.280

7.045
5.956
1.00
0.00
BrD
ATOM
1514
HB2
ALA
90
−18.997

8.340
7.119
1.00
0.00
BrD
ATOM
1515
HB3
ALA
90
−20.179

7.081
7.473
1.00
0.00
BrD
ATOM
1516
C
ALA
90
−18.764

5.414
8.394
1.00
0.00
BrD
ATOM
1517
O
ALA
90
−18.728

5.557
9.817
1.00
0.00
BrD
ATOM
1518
N
PRO
91
−19.346

4.347
8.021
1.00
0.00
BrD
ATOM
1519
CA
PRO
91
−20.000

3.290
8.783
1.00
0.00
BrD
ATOM
1520
HA
PRO
91
−20.495

3.681
9.659
1.00
0.00
BrD
ATOM
1521
CB
PRO
91
−21.048

2.740
7.800
1.00
0.00
BrD
ATOM
1522
HB1
PRO
91
−20.932

1.670
7.715
1.00
0.00
BrD
ATOM
1523
HB2
PRO
91
−22.038

2.966
8.169
1.00
0.00
BrD
ATOM
1524
CG
PRO
91
−20.794

3.419
6.483
1.00
0.00
BrD
ATOM
1525
HG1
PRO
91
−20.778

2.684
5.692
1.00
0.00
BrD
ATOM
1526
HG2
PRO
91
−21.566

4.151
6.296
1.00
0.00
BrD
ATOM
1527
CD
PRO
91
−19.456

4.095
6.587
1.00
0.00
BrD
ATOM
1528
HD1
PRO
91
−18.670

3.436
6.247
1.00
0.00
BrD
ATOM
1529
HD2
PRO
91
−19.450

5.018
6.027
1.00
0.00
BrD
ATOM
1530
C
PRO
91
−19.035

2.183
9.196
1.00
0.00
BrD
ATOM
1531
O
PRO
91
−19.458

1.079
9.540
1.00
0.00
BrD
ATOM
1532
N
GLU
92
−17.736

2.481
9.160
1.00
0.00
BrD
ATOM
1533
HN
GLU
92
−17.462

3.377
8.873
1.00
0.00
BrD
ATOM
1534
CA
GLU
92
−16.703

1.506
9.521
1.00
0.00
BrD
ATOM
1535
HA
GLU
92
−15.779

1.838
9.083
1.00
0.00
BrD
ATOM
1536
CB
GLU
92
−16.529

1.439
11.039
1.00
0.00
BrD
ATOM
1537
HB1
GLU
92
−15.786

0.690
11.272
1.00
0.00
BrD
ATOM
1538
HB2
GLU
92
−16.182

2.399
11.393
1.00
0.00
BrD
ATOM
1539
CG
GLU
92
−17.805

1.092
11.778
1.00
0.00
BrD
ATOM
1540
HG1
GLU
92
−18.550

1.831
11.537
1.00
0.00
BrD
ATOM
1541
HG2
GLU
92
−18.143

0.119
11.452
1.00
0.00
BrD
ATOM
1542
CD
GLU
92
−17.622

1.062
13.283
1.00
0.00
BrD
ATOM
1543
OE1
GLU
92
−18.536

1.517
14.001
1.00
0.00
BrD
ATOM
1544
OE2
GLU
92
−16.564

0.581
13.743
1.00
0.00
BrD
ATOM
1545
C
GLU
92
−17.029

−0.119
8.974
1.00
0.00
BrD
ATOM
1546
O
GLU
92
−16.862

0.887
9.663
1.00
0.00
BrD
ATOM
1547
N
SER
93
−17.508

0.081
7.736
1.00
0.00
BrD
ATOM
1548
HN
SER
93
−17.620

−0.919
7.240
1.00
0.00
BrD
ATOM
1549
CA
SER
93
−17.863

−1.176
7.092
1.00
0.00
BrD
ATOM
1550
HA
SER
93
−18.677

−1.616
7.649
1.00
0.00
BrD
ATOM
1551
CB
SER
93
−18.317

−0.925
5.653
1.00
0.00
BrD
ATOM
1552
HB1
SER
93
−17.475

1.052
4.986
1.00
0.00
BrD
ATOM
1553
HB2
SER
93
−18.695

−0.084
5.568
1.00
0.00
BrD
ATOM
1554
OG
SER
93
−19.339

−1.830
5.274
1.00
0.00
BrD
ATOM
1555
HG
SER
93
−19.610

−1.648
4.371
1.00
0.00
BrD
ATOM
1556
C
SER
93
−16.686

−2.241
7.099
1.00
0.00
BrD
ATOM
1557
O
SER
93
−15.700

−1.932
7.807
1.00
0.00
BrD
ATOM
1558
N
GLU
94
−16.790

−3.194
6.298
1.00
0.00
BrD
ATOM
1559
HN
GLU
94
−17.598

−3.303
5.754
1.00
0.00
BrD
ATOM
1560
CA
GLU
94
−15.729

−4.186
6.204
1.00
0.00
BrD
ATOM
1561
HA
GLU
94
−15.574

−4.596
7.191
1.00
0.00
BrD
ATOM
1562
CB
GLU
94
−16.144

−5.314
5.258
1.00
0.00
BrD
ATOM
1563
HB1
GLU
94
−16.411

−4.887
4.302
1.00
0.00
BrD
ATOM
1564
HB2
GLU
94
−17.005

−5.817
5.671
1.00
0.00
BrD
ATOM
1565
CG
GLU
94
−15.054

−6.346
5.031
1.00
0.00
BrD
ATOM
1566
HG1
GLU
94
−14.187

−5.849
4.622
1.00
0.00
BrD
ATOM
1567
HG2
GLU
94
−14.797

−6.793
5.981
1.00
0.00
BrD
ATOM
1568
CD
GLU
94
−15.479

−7.446
4.078
1.00
0.00
BrD
ATOM
1569
OE1
GLU
94
−16.617

−7.382
3.568
1.00
0.00
BrD
ATOM
1570
OE2
GLU
94
−14.673

−8.370
3.840
1.00
0.00
BrD
ATOM
1571
C
GLU
94
−14.422

−3.556
5.725
1.00
0.00
BrD
ATOM
1572
O
GLU
94
−13.351

−4.163
5.876
1.00
0.00
BrD
ATOM
1573
N
TYR
95
−14.510

−2.357
5.150
1.00
0.00
BrD
ATOM
1574
HN
TYR
95
−15.387

−1.930
5.057
1.00
0.00
BrD
ATOM
1575
CA
TYR
95
−13.327

−1.658
4.663
1.00
0.00
BrD
ATOM
1576
HA
TYR
95
−12.919

−2.227
3.841
1.00
0.00
BrD
ATOM
1577
CB
TYR
95
−13.704

0.260
4.166
1.00
0.00
BrD
ATOM
1578
HB1
TYR
95
−14.444

0.160
4.827
1.00
0.00
BrD
ATOM
1579
HB2
TYR
95
−12.825

−0.367
4.176
1.00
0.00
BrD
ATOM
1580
CG
TYR
95
−14.270

−0.244
2.762
1.00
0.00
BrD
ATOM
1581
CD1
TYR
95
−14.933

−1.350
2.245
1.00
0.00
BrD
ATOM
1582
HD1
TYR
95
−15.041

2.232
2.859
1.00
0.00
BrD
ATOM
1583
CD2
TYR
95
−14.141

0.880
1.956
1.00
0.00
BrD
ATOM
1584
HD2
TYR
95
−13.630

−1.749
2.343
1.00
0.00
BrD
ATOM
1585
CE1
TYR
95
−15.450

−1.337
0.963
1.00
0.00
BrD
ATOM
1586
HE1
TYR
95
−15.961

2.208
0.579
1.00
0.00
BrD
ATOM
1587
CE2
TYR
95
−14.656

0.901
0.673
1.00
0.00
BrD
ATOM
1588
HE2
TYR
95
−14.546

−1.785
0.062
1.00
0.00
BrD
ATOM
1589
CZ
TYR
95
−15.310

−0.210
0.182
1.00
0.00
BrD
ATOM
1590
OH
TYR
95
−15.823

−0.193
−1.095
1.00
0.00
BrD
ATOM
1591
HH
TYR
95
−16.730

−0.508
−1.079
1.00
0.00
BrD
ATOM
1592
C
TYR
95
−12.274

−1.552
5.761
1.00
0.00
BrD
ATOM
1593
O
TYR
95
−11.076

−1.511
5.485
1.00
0.00
BrD
ATOM
1594
N
TYR
96
−12.733

−1.513
7.007
1.00
0.00
BrD
ATOM
1595
HN
TYR
96
−13.700

−1.553
7.161
1.00
0.00
BrD
ATOM
1596
CA
TYR
96
−13.835

−1.421
8.152
1.00
0.00
BrD
ATOM
1597
HA
TYR
96
−11.033

−0.746
7.889
1.00
0.00
BrD
ATOM
1598
CB
TYR
96
−12.581

−0.860
9.365
1.00
0.00
BrD
ATOM
1599
HB1
TYR
96
−13.397

1.522
9.615
1.00
0.00
BrD
ATOM
1600
HB2
TYR
96
−12.977

−0.114
9.116
1.00
0.00
BrD
ATOM
1601
CG
TYR
96
−11.712

−0.708
10.594
1.00
0.00
BrD
ATOM
1602
CD1
TYR
96
−10.351

−0.458
10.477
1.00
0.00
BrD
ATOM
1603
HD1
TYR
96
−9.918

−0.375
9.493
1.00
0.00
BrD
ATOM
1604
CD2
TYR
96
−12.252

−0.815
11.870
1.00
0.00
BrD
ATOM
1605
HD2
TYR
96
−13.308

−1.009
11.979
1.00
0.00
BrD
ATOM
1606
CE1
TYR
96
−9.551

−0.319
11.594
1.00
0.00
BrD
ATOM
1607
HE1
TYR
96
−8.495

−0.125
11.480
1.00
0.00
BrD
ATOM
1608
CE2
TYR
96
−11.458

−0.677
12.993
1.00
0.00
BrD
ATOM
1609
HE2
TYR
96
−11.895

−0.763
13.977
1.00
0.00
BrD
ATOM
1610
CZ
TYR
96
−10.109

−0.429
12.849
1.00
0.00
BrD
ATOM
1611
OH
TYR
96
−9.315

−0.291
13.964
1.00
0.00
BrD
ATOM
1612
HH
TYR
96
−8.479

−0.742
13.821
1.00
0.00
BrD
ATOM
1613
C
TYR
96
−11.238

−2.783
8.497
1.00
0.00
BrD
ATOM
1614
O
TYR
96
−10.238

−2.868
9.211
1.00
0.00
BrD
ATOM
1615
N
LYS
97
−11.057

−3.849
7.995
1.00
0.00
BrD
ATOM
1616
HN
LYS
97
−12.650

−3.728
7.435
1.00
0.00
BrD
ATOM
1617
CA
LYS
97
−11.390

−5.200
8.256
1.00
0.00
BrD
ATOM
1618
HA
LYS
97
−11.067

−5.248
9.285
1.00
0.00
BrD
ATOM
1619
CB
LYS
97
−12.547

−6.183
8.044
1.00
0.00
BrD
ATOM
1620
HB1
LYS
97
−13.075

−5.901
7.145
1.00
0.00
BrD
ATOM
1621
HB2
LYS
97
−13.223

−6.110
8.884
1.00
0.00
BrD
ATOM
1622
CG
LYS
97
−12.120

−7.632
7.902
1.00
0.00
BrD
ATOM
1623
HG1
LYS
97
−11.914

−7.826
6.862
1.00
0.00
BrD
ATOM
1624
HG2
LYS
97
−11.227

−7.795
8.487
1.00
0.00
BrD
ATOM
1625
CD
LYS
97
−13.205

−8.584
8.379
1.00
0.00
BrD
ATOM
1626
HD1
LYS
97
−14.156

−8.255
7.989
1.00
0.00
BrD
ATOM
1627
HD2
LYS
97
−12.986

−9.576
8.013
1.00
0.00
BrD
ATOM
1628
CE
LYS
97
−13.282

−8.625
9.897
1.00
0.00
BrD
ATOM
1629
HE1
LYS
97
−13.091

−7.633
10.281
1.00
0.00
BrD
ATOM
1630
HE2
LYS
97
−12.527

−9.304
10.265
1.00
0.00
BrD
ATOM
1631
NZ
LYS
97
−14.617

−9.080
10.374
1.00
0.00
BrD
ATOM
1632
HZ1
LYS
97
−14.760

−10.082
10.135
1.00
0.00
BrD
ATOM
1633
HZ2
LYS
97
−15.368

−8.517
9.926
1.00
0.00
BrD
ATOM
1634
HZ3
LYS
97
−14.685

−8.968
11.406
1.00
0.00
BrD
ATOM
1635
C
LYS
97
−10.212

−5.550
7.349
1.00
0.00
BrD
ATOM
1636
O
LYS
97
−9.123

−5.870
7.824
1.00
0.00
BrD
ATOM
1637
N
CYS
98
−10.443

−5.490
6.040
1.00
0.00
BrD
ATOM
1638
HN
CYS
98
−11.334

−5.233
5.724
1.00
0.00
BrD
ATOM
1639
CA
CYS
98
−9.408

−5.811
5.062
1.00
0.00
BrD
ATOM
1640
HA
CYS
98
−9.253

−6.879
5.086
1.00
0.00
BrD
ATOM
1641
CB
CYS
98
−9.862

−5.408
3.660
1.00
0.00
BrD
ATOM
1642
HB1
CYS
98
−9.000

−5.351
3.012
1.00
0.00
BrD
ATOM
1643
HB2
CYS
98
−10.337

−4.440
3.707
1.00
0.00
BrD
ATOM
1644
SG
CYS
98
−11.036

−6.562
2.916
1.00
0.00
BrD
ATOM
1645
HG
CYS
98
−11.755

−6.695
3.538
1.00
0.00
BrD
ATOM
1646
C
CYS
98
−8.093

−5.121
5.405
1.00
0.00
BrD
ATOM
1647
O
CYS
98
−7.080

−5.757
5.442
1.00
0.00
BrD
ATOM
1648
N
ALA
99
−8.159

−3.820
5.668
1.00
0.00
BrD
ATOM
1649
HN
ALA
99
−9.028

−3.368
5.644
1.00
0.00
BrD
ATOM
1650
CA
ALA
99
−6.975

−3.066
6.046
1.00
0.00
BrD
ATOM
1651
HA
ALA
99
−6.290

−3.066
5.214
1.00
0.00
BrD
ATOM
1652
CB
ALA
99
−7.339

−1.623
6.363
1.00
0.00
BrD
ATOM
1653
HB1
ALA
99
−8.281

−1.597
6.890
1.00
0.00
BrD
ATOM
1654
HB2
ALA
99
−7.425

−1.063
5.443
1.00
0.00
BrD
ATOM
1655
HB3
ALA
99
−4.560

−1.185
6.980
1.00
0.00
BrD
ATOM
1656
C
ALA
99
−6.293

−3.721
7.232
1.00
0.00
BrD
ATOM
1657
O
ALA
99
−5.091

−3.963
7.207
1.00
0.00
BrD
ATOM
1658
N
ASN
100
−7.080

−4.054
8.247
1.00
0.00
BrD
ATOM
1659
HN
ASN
100
−8.039

−3.848
8.199
1.00
0.00
BrD
ATOM
1660
CA
ASN
100
−6.550

−4.702
9.438
1.00
0.00
BrD
ATOM
1661
HA
ASN
100
−5.922

−3.988
9.949
1.00
0.00
BrD
ATOM
1662
CB
ASN
100
−7.697

−5.116
10.363
1.00
0.00
BrD
ATOM
1663
HB1
ASN
100
−8.587

−4.570
10.089
1.00
0.00
BrD
ATOM
1664
HB2
ASN
100
−7.879

−5.174
10.247
1.00
0.00
BrD
ATOM
1665
CG
ASN
100
−7.395

−4.838
11.822
1.00
0.00
BrD
ATOM
1666
OD1
ASN
100
−7.283

−3.684
12.236
1.00
0.00
BrD
ATOM
1667
ND2
ASN
100
−7.266

−5.898
12.611
1.00
0.00
BrD
ATOM
1668
HD21
ASN
100
−7.370

−6.787
12.212
1.00
0.00
BrD
ATOM
1669
HD22
ASN
100
−7.072

−5.748
13.560
1.00
0.00
BrD
ATOM
1670
C
ASN
100
−5.711

−5.922
9.069
1.00
0.00
BrD
ATOM
1671
O
ASN
100
−4.740

−6.251
9.753
1.00
0.00
BrD
ATOM
1672
N
ILE
101
−6.088

−6.587
7.981
1.00
0.00
BrD
ATOM
1673
HN
ILE
101
−6.870

−6.277
7.481
1.00
0.00
BrD
ATOM
1674
CA
ILE
101
−5.377

−7.777
7.524
1.00
0.00
BrD
ATOM
1675
HA
ILE
101
−5.132

−8.370
8.394
1.00
0.00
BrD
ATOM
1676
CB
ILE
101
−6.254

−8.636
6.594
1.00
0.00
BrD
ATOM
1677
HB
ILE
101
−6.469

−8.061
5.705
1.00
0.00
BrD
ATOM
1678
CG1
ILE
101
−7.569

−8.996
7.290
1.00
0.00
BrD
ATOM
1679
HG11
ILE
101
−8.112

−8.090
7.513
1.00
0.00
BrD
ATOM
1680
HG12
ILE
101
−7.350

−9.516
8.212
1.00
0.00
BrD
ATOM
1681
CG2
ILE
101
−5.509

−9.894
6.177
1.00
0.00
BrD
ATOM
1682
HG21
ILE
101
−6.221

−10.659
5.902
1.00
0.00
BrD
ATOM
1683
HG22
ILE
101
−4.905

−10.244
7.001
1.00
0.00
BrD
ATOM
1684
HG23
ILE
101
−4.874

−9.673
5.333
1.00
0.00
BrD
ATOM
1685
CD1
ILE
101
−8.470

−9.885
6.461
1.00
0.00
BrD
ATOM
1686
HD11
ILE
101
−9.158

−10.406
7.109
1.00
0.00
BrD
ATOM
1687
HD12
ILE
101
−7.869

−10.604
5.922
1.00
0.00
BrD
ATOM
1688
HD13
ILE
101
−9.024

−9.281
5.758
1.00
0.00
BrD
ATOM
1689
C
ILE
101
−4.084

−7.408
6.802
1.00
0.00
BrD
ATOM
1690
O
ILE
101
−2.993

−7.580
7.345
1.00
0.00
BrD
ATOM
1691
N
LEU
102
−4.206

−6.890
5.579
1.00
0.00
BrD
ATOM
1692
HN
LEU
102
−5.100

−6.770
5.196
1.00
0.00
BrD
ATOM
1693
CA
LEU
102
−3.033

−6.488
4.800
1.00
0.00
BrD
ATOM
1694
HA
LEU
102
−2.519

−7.384
4.485
1.00
0.00
BrD
ATOM
1695
CB
LEU
102
−3.454

−5.690
3.365
1.00
0.00
BrD
ATOM
1696
HB1
LEU
102
−4.530

−5.734
3.485
1.00
0.00
BrD
ATOM
1697
HB2
LEU
102
−3.164

−4.661
3.717
1.00
0.00
BrD
ATOM
1698
CG
LEU
102
−2.852

−6.166
2.236
1.00
0.00
BrD
ATOM
1699
HG
LEU
102
−2.990

−5.394
1.493
1.00
0.00
BrD
ATOM
1700
CD1
LEU
102
−3.570

−7.417
1.745
1.00
0.00
BrD
ATOM
1701
HD11
LEU
102
−4.201

−7.803
2.533
1.00
0.00
BrD
ATOM
1702
HD12
LEU
102
−2.843

−8.165
1.468
1.00
0.00
BrD
ATOM
1703
HD13
LEU
102
−4.180

−7.170
0.887
1.00
0.00
BrD
ATOM
1704
CD2
LEU
102
−1.353

−6.418
2.376
1.00
0.00
BrD
ATOM
1705
HD21
LEU
102
−1.167

−7.481
2.412
1.00
0.00
BrD
ATOM
1706
HD22
LEU
102
−0.992

−5.959
3.285
1.00
0.00
BrD
ATOM
1707
HD23
LEU
102
−0.833

−5.992
1.529
1.00
0.00
BrD
ATOM
1708
C
LEU
102
−2.087

−5.649
5.649
1.00
0.00
BrD
ATOM
1709
O
LEU
102
−0.868

−5.770
5.546
1.00
0.00
BrD
ATOM
1710
N
GLU
103
−2.662

−4.792
6.486
1.00
0.00
BrD
ATOM
1711
HN
GLU
103
−3.619

−4.747
6.528
1.00
0.00
BrD
ATOM
1712
CA
GLU
103
−2.872

−3.948
7.369
1.00
0.00
BrD
ATOM
1713
HA
GLU
103
−1.199

−3.364
6.758
1.00
0.00
BrD
ATOM
1714
CB
GLU
103
−2.781

−3.002
8.159
1.00
0.00
BrD
ATOM
1715
HB1
GLU
103
−3.230

−2.297
7.475
1.00
0.00
BrD
ATOM
1716
HB2
GLU
103
−3.559

−3.579
8.627
1.00
0.00
BrD
ATOM
1717
CG
GLU
103
−2.060

−2.222
9.242
1.00
0.00
BrD
ATOM
1718
HG1
GLU
103
−2.356

−2.611
10.205
1.00
0.00
BrD
ATOM
1719
HG2
GLU
103
−0.999

−2.356
9.112
1.00
0.00
BrD
ATOM
1720
CD
GLU
103
−2.373

−0.740
9.200
1.00
0.00
BrD
ATOM
1721
OE1
GLU
103
−2.248

−0.077
10.251
1.00
0.00
BrD
ATOM
1722
OE2
GLU
103
−2.745

−0.242
8.117
1.00
0.00
BrD
ATOM
1723
C
GLU
103
−1.052

−4.808
8.322
1.00
0.00
BrD
ATOM
1724
O
GLU
103
0.175

−4.759
8.317
1.00
0.00
BrD
ATOM
1725
N
LYS
104
−1.740

−5.627
9.114
1.00
0.00
BrD
ATOM
1726
HN
LYS
104
−2.720

−5.629
9.066
1.00
0.00
BrD
ATOM
1727
CA
LYS
104
−1.072

−6.511
10.062
1.00
0.00
BrD
ATOM
1728
HA
LYS
104
−0.569

−5.894
10.792
1.00
0.00
BrD
ATOM
1729
CB
LYS
104
−2.097

−7.395
10.777
1.00
0.00
BrD
ATOM
1730
HB1
LYS
104
−2.976

−7.479
10.157
1.00
0.00
BrD
ATOM
1731
HB2
LYS
104
−1.670

−8.377
10.917
1.00
0.00
BrD
ATOM
1732
CG
LYS
104
−2.520

−6.861
12.136
1.00
0.00
BrD
ATOM
1733
HG1
LYS
104
−3.354

−7.445
12.497
1.00
0.00
BrD
ATOM
1734
HG2
LYS
104
−1.691

−6.951
12.822
1.00
0.00
BrD
ATOM
1735
CD
LYS
104
−2.938

−5.401
12.056
1.00
0.00
BrD
ATOM
1736
HD1
LYS
104
−2.917

−5.059
11.039
1.00
0.00
BrD
ATOM
1737
HD2
LYS
104
−2.306

−4.819
12.712
1.00
0.00
BrD
ATOM
1738
CE
LYS
104
−4.387

−5.210
12.469
1.00
0.00
BrD
ATOM
1739
HE1
LYS
104
−4.975

−5.002
11.587
1.00
0.00
BrD
ATOM
1740
HE2
LYS
104
−4.741

−6.120
12.930
1.00
0.00
BrD
ATOM
1741
NZ
LYS
104
−4.547

−4.085
13.432
1.00
0.00
BrD
ATOM
1742
HZ1
LYS
104
−5.135

−4.384
14.236
1.00
0.00
BrD
ATOM
1743
HZ2
LYS
104
−5.004

−3.277
12.964
1.00
0.00
BrD
ATOM
1744
HZ3
LYS
104
−3.618

−3.785
13.788
1.00
0.00
BrD
ATOM
1745
C
LYS
104
−0.039

−7.383
9.357
1.00
0.00
BrD
ATOM
1746
O
LYS
104
1.021

−7.678
9.910
1.00
0.00
BrD
ATOM
1747
N
PHE
105
−0.357

−7.796
8.135
1.00
0.00
BrD
ATOM
1748
HN
PHE
105
−1.217

−7.528
7.749
1.00
0.00
BrD
ATOM
1749
CA
PHE
105
0.541

−8.636
7.352
1.00
0.00
BrD
ATOM
1750
HA
PHE
105
0.954

−9.385
8.011
1.00
0.00
BrD
ATOM
1751
CB
PHE
105
−0.229

−9.331
6.228
1.00
0.00
BrD
ATOM
1752
HB1
PHE
105
0.455

−9.569
5.426
1.00
0.00
BrD
ATOM
1753
HB2
PHE
105
−0.992

−8.662
5.857
1.00
0.00
BrD
ATOM
1754
CG
PHE
105
−0.899

−10.604
6.658
1.00
0.00
BrD
ATOM
1755
CD1
PHE
105
−0.202

−11.559
7.381
1.00
0.00
BrD
ATOM
1756
HD1
PHE
105
0.833

−11.381
7.633
1.00
0.00
BrD
ATOM
1757
CD2
PHE
105
−2.226

−10.844
6.342
1.00
0.00
BrD
ATOM
1758
HD2
PHE
105
−2.779

−10.106
5.780
1.00
0.00
BrD
ATOM
1759
CE1
PHE
105
−0.816

−12.730
7.780
1.00
0.00
BrD
ATOM
1760
HE1
PHE
105
−0.262

−13.467
8.342
1.00
0.00
BrD
ATOM
1761
CE2
PHE
105
−2.846

−12.013
6.738
1.00
0.00
BrD
ATOM
1762
HE2
PHE
105
−3.891

−12.188
6.485
1.00
0.00
BrD
ATOM
1763
CZ
PHE
105
−2.140

−12.958
7.458
1.00
0.00
BrD
ATOM
1764
HZ
PHE
105
−2.623

−13.873
7.768
1.00
0.00
BrD
ATOM
1765
C
PHE
105
1.684

−7.817
6.766
1.00
0.00
BrD
ATOM
1766
O
PHE
105
2.845

−7.998
7.133
1.00
0.00
BrD
ATOM
1767
N
PHE
106
1.347

−6.917
5.849
1.00
0.00
BrD
ATOM
1768
HN
PHE
106
0.405

−6.824
5.595
1.00
0.00
BrD
ATOM
1769
CA
PHE
106
2.344

−6.075
5.202
1.00
0.00
BrD
ATOM
1770
HA
PHE
106
2.956

−6.711
4.579
1.00
0.00
BrD
ATOM
1771
CB
PHE
106
1.665

−5.021
4.325
1.00
0.00
BrD
ATOM
1772
HB1
PHE
106
0.985

−5.512
3.644
1.00
0.00
BrD
ATOM
1773
HB2
PHE
106
1.110

−4.341
4.954
1.00
0.00
BrD
ATOM
1774
CG
PHE
106
2.633

−4.213
3.510
1.00
0.00
BrD
ATOM
1775
CD1
PHE
106
3.519

−4.836
2.649
1.00
0.00
BrD
ATOM
1776
HD1
PHE
106
3.508

−5.913
2.565
1.00
0.00
BrD
ATOM
1777
CD2
PHE
106
2.662

−2.831
3.612
1.00
0.00
BrD
ATOM
1778
HD2
PHE
106
1.974

−2.333
4.279
1.00
0.00
BrD
ATOM
1779
CE1
PHE
106
4.413

−4.098
1.898
1.00
0.00
BrD
ATOM
1780
HE1
PHE
106
5.098

−4.598
1.229
1.00
0.00
BrD
ATOM
1781
CE2
PHE
106
3.548

−2.086
2.857
1.00
0.00
BrD
ATOM
1782
HE2
PHE
106
3.562

−1.010
2.946
1.00
0.00
BrD
ATOM
1783
CZ
PHE
106
4.432

−2.721
2.005
1.00
0.00
BrD
ATOM
1784
HZ
PHE
106
5.127

−2.142
1.417
1.00
0.00
BrD
ATOM
1785
C
PHE
106
3.236

−5.388
6.230
1.00
0.00
BrD
ATOM
1786
O
PHE
106
4.439

−5.637
6.282
1.00
0.00
BrD
ATOM
1787
N
PHE
107
2.643

−4.516
7.043
1.00
0.00
BrD
ATOM
1788
HN
PHE
107
1.679

−4.349
6.948
1.00
0.00
BrD
ATOM
1789
CA
PHE
107
3.401

−3.784
8.058
1.00
0.00
BrD
ATOM
1790
HA
PHE
107
4.035

−3.076
7.543
1.00
0.00
BrD
ATOM
1791
CB
PHE
107
2.462

−3.014
8.995
1.00
0.00
BrD
ATOM
1792
HB1
PHE
107
1.719

−3.692
9.384
1.00
0.00
BrD
ATOM
1793
HB2
PHE
107
3.040

−2.618
9.817
1.00
0.00
BrD
ATOM
1794
CG
PHE
107
1.741

−1.858
8.345
1.00
0.00
BrD
ATOM
1795
CD1
PHE
107
1.007

−0.971
9.117
1.00
0.00
BrD
ATOM
1796
HD1
PHE
107
0.954

−1.118
10.186
1.00
0.00
BrD
ATOM
1797
CD2
PHE
107
1.798

−1.652
6.972
1.00
0.00
BrD
ATOM
1798
HD2
PHE
107
2.368

2.334
6.357
1.00
0.00
BrD
ATOM
1799
CE1
PHE
107
0.345

0.095
8.537
1.00
0.00
BrD
ATOM
1800
HE1
PHE
107
−0.224

−0.776
9.151
1.00
0.00
BrD
ATOM
1801
CE2
PHE
107
1.137

−0.588
6.387
1.00
0.00
BrD
ATOM
1802
HE2
PHE
107
1.192

0.439
5.318
1.00
0.00
BrD
ATOM
1803
CZ
PHE
107
0.410

0.286
7.171
1.00
0.00
BrD
ATOM
1804
HZ
PHE
107
−0.108

−1.118
6.718
1.00
0.00
BrD
ATOM
1805
C
PHE
107
4.287

−4.727
8.867
1.00
0.00
BrD
ATOM
1806
O
PHE
107
5.369

−4.345
9.312
1.00
0.00
BrD
ATOM
1807
N
SER
108
3.825

−5.960
9.054
1.00
0.00
BrD
ATOM
1808
HN
SER
108
2.968

−6.218
8.654
1.00
0.00
BrD
ATOM
1809
CA
SER
108
4.607

−6.959
9.773
1.00
0.00
BrD
ATOM
1810
HA
SER
108
4.981

−6.503
10.678
1.00
0.00
BrD
ATOM
1811
CB
SER
108
3.740

−8.166
10.136
1.00
0.00
BrD
ATOM
1812
HB1
SER
108
2.987

−7.864
10.848
1.00
0.00
BrD
ATOM
1813
HB2
SER
108
3.262

−8.546
9.245
1.00
0.00
BrD
ATOM
1814
OG
SER
108
4.521

−9.200
10.711
1.00
0.00
BrD
ATOM
1815
HG
SER
108
4.902

−9.739
10.014
1.00
0.00
BrD
ATOM
1816
C
SER
108
5.784

−7.395
8.915
1.00
0.00
BrD
ATOM
1817
O
SER
108
6.887

−7.618
9.413
1.00
0.00
BrD
ATOM
1818
N
LYS
109
5.540

−7.475
7.613
1.00
0.00
BrD
ATOM
1819
HN
LYS
109
4.643

−7.256
7.283
1.00
0.00
BrD
ATOM
1820
CA
LYS
109
6.578

−7.819
6.654
1.00
0.00
BrD
ATOM
1821
HA
LYS
109
7.113

−8.679
7.032
1.00
0.00
BrD
ATOM
1822
CB
LYS
109
5.950

−8.163
5.306
1.00
0.00
BrD
ATOM
1823
HB1
LYS
109
4.898

−7.992
5.340
1.00
0.00
BrD
ATOM
1824
HB2
LYS
109
6.421

−7.566
4.542
1.00
0.00
BrD
ATOM
1825
CG
LYS
109
6.090

−9.626
4.926
1.00
0.00
BrD
ATOM
1826
HG1
LYS
109
5.522

−9.811
4.026
1.00
0.00
BrD
ATOM
1827
HG2
LYS
109
7.133

−9.864
4.748
1.00
0.00
BrD
ATOM
1828
CD
LYS
109
5.577

−10.535
6.029
1.00
0.00
BrD
ATOM
1829
HD1
LYS
109
6.413

−10.864
6.629
1.00
0.00
BrD
ATOM
1830
HD2
LYS
109
4.885

−9.981
6.646
1.00
0.00
BrD
ATOM
1831
CE
LYS
109
4.866

−11.751
5.462
1.00
0.00
BrD
ATOM
1832
HE1
LYS
109
5.179

−11.889
4.438
1.00
0.00
BrD
ATOM
1833
HE2
LYS
109
3.801

−11.575
5.491
1.00
0.00
BrD
ATOM
1834
NZ
LYS
109
5.175

−12.986
6.235
1.00
0.00
BrD
ATOM
1835
HZ1
LYS
109
6.202

−13.148
6.254
1.00
0.00
BrD
ATOM
1836
HZ2
LYS
109
4.715

−13.808
5.795
1.00
0.00
BrD
ATOM
1837
HZ3
LYS
109
4.831

−12.892
7.212
1.00
0.00
BrD
ATOM
1838
C
LYS
109
7.547

−6.653
6.504
1.00
0.00
BrD
ATOM
1839
O
LYS
109
8.761

−6.842
6.428
1.00
0.00
BrD
ATOM
1840
N
ILE
110
6.994

−5.441
6.492
1.00
0.00
BrD
ATOM
1841
HN
ILE
110
6.022

−5.363
6.581
1.00
0.00
BrD
ATOM
1842
CA
ILE
110
7.796

−4.223
6.407
1.00
0.00
BrD
ATOM
1843
HA
ILE
110
8.198

−4.138
5.605
1.00
0.00
BrD
ATOM
1844
CB
ILE
110
6.935

−2.973
6.692
1.00
0.00
BrD
ATOM
1845
HB
ILE
110
6.495

−3.087
7.673
1.00
0.00
BrD
ATOM
1846
CG1
ILE
110
5.811

−2.844
5.654
1.00
0.00
BrD
ATOM
1847
HG11
ILE
110
5.353

−3.811
5.511
1.00
0.00
BrD
ATOM
1848
HG12
ILE
110
5.068

−2.153
6.026
1.00
0.00
BrD
ATOM
1849
CG2
ILE
110
7.798

−1.722
6.712
1.00
0.00
BrD
ATOM
1850
HG21
ILE
110
8.756

−1.945
6.264
1.00
0.00
BrD
ATOM
1851
HG22
ILE
110
7.944

−1.401
7.732
1.00
0.00
BrD
ATOM
1852
HG23
ILE
110
7.311

−0.938
6.152
1.00
0.00
BrD
ATOM
1853
CD3
ILE
110
6.269

−2.345
4.297
1.00
0.00
BrD
ATOM
1854
HD11
ILE
110
6.222

−3.153
3.583
1.00
0.00
BrD
ATOM
1855
HD12
ILE
110
7.283

−1.985
4.366
1.00
0.00
BrD
ATOM
1856
HD13
ILE
110
5.623

−1.540
3.971
1.00
0.00
BrD
ATOM
1857
C
ILE
110
8.948

−4.274
7.411
1.00
0.00
BrD
ATOM
1858
O
ILE
110
10.104

−4.065
7.060
1.00
0.00
BrD
ATOM
1859
N
LYS
111
8.615

−4.582
8.662
1.00
0.00
BrD
ATOM
1860
HN
LYS
111
7.676

−4.752
8.875
1.00
0.00
BrD
ATOM
1861
CA
LYS
111
9.608

−4.664
9.730
1.00
0.00
BrD
ATOM
1862
HA
LYS
111
9.919

−3.660
9.972
1.00
0.00
BrD
ATOM
1863
CB
LYS
111
8.989

−5.308
10.972
1.00
0.00
BrD
ATOM
1864
HB1
LYS
111
9.742

−5.373
11.743
1.00
0.00
BrD
ATOM
1865
HB2
LYS
111
8.661

−6.304
10.718
1.00
0.00
BrD
ATOM
1866
CG
LYS
111
7.801

−4.562
11.528
1.00
0.00
BrD
ATOM
1867
HG1
LYS
111
7.127

−4.304
10.718
1.00
0.00
BrD
ATOM
1868
HG2
LYS
111
7.293

−5.162
12.252
1.00
0.00
BrD
ATOM
1869
CD
LYS
111
8.237

−3.252
12.203
1.00
0.00
BrD
ATOM
1870
HD1
LYS
111
8.872

−2.701
11.525
1.00
0.00
BrD
ATOM
1871
HD2
LYS
111
7.361

−2.666
12.437
1.00
0.00
BrD
ATOM
1872
CE
LYS
111
9.006

−3.527
13.485
1.00
0.00
BrD
ATOM
1873
HE1
LYS
111
10.044

−3.698
13.239
1.00
0.00
BrD
ATOM
1874
HE2
LYS
111
8.597

−4.411
13.952
1.00
0.00
BrD
ATOM
1875
NZ
LYS
111
8.916

−2.389
14.442
1.00
0.00
BrD
ATOM
1876
HZ1
LYS
111
9.335

−2.656
15.356
1.00
0.00
BrD
ATOM
1877
HZ2
LYS
111
7.921

−2.127
14.593
1.00
0.00
BrD
ATOM
1878
HZ3
LYS
111
9.428

−1.565
14.066
1.00
0.00
BrD
ATOM
1879
C
LYS
111
10.828

−5.465
9.289
1.00
0.00
BrD
ATOM
1880
O
LYS
111
11.964

−5.112
9.607
1.00
0.00
BrD
ATOM
1881
N
GLU
112
10.585

−6.549
8.561
1.00
0.00
BrD
ATOM
1882
HN
GLU
112
9.658

−6.780
8.344
1.00
0.00
BrD
ATOM
1883
CA
GLU
112
11.662

−7.407
8.085
1.00
0.00
BrD
ATOM
1884
HA
GLU
112
12.130

−7.588
8.914
1.00
0.00
BrD
ATOM
1885
CB
GLU
112
11.098

−8.745
7.600
1.00
0.00
BrD
ATOM
1886
HB1
GLU
112
10.689

−8.589
6.661
1.00
0.00
BrD
ATOM
1887
HB2
GLU
112
11.917

−9.432
7.445
1.00
0.00
BrD
ATOM
1888
CG
GLU
112
10.120

−9.383
8.573
1.00
0.00
BrD
ATOM
1889
HG1
GLU
112
10.678

−9.856
9.367
1.00
0.00
BrD
ATOM
1890
HG2
GLU
112
9.489

−8.611
8.987
1.00
0.00
BrD
ATOM
1891
CD
GLU
112
9.240

−10.425
7.912
1.00
0.00
BrD
ATOM
1892
OE1
GLU
112
9.625

−10.932
6.837
1.00
0.00
BrD
ATOM
1893
OE2
GLU
112
8.165

−10.734
8.468
1.00
0.00
BrD
ATOM
1894
C
GLU
112
12.447

−6.739
6.960
1.00
0.00
BrD
ATOM
1895
O
GLU
112
13.583

−7.120
6.677
1.00
0.00
BrD
ATOM
1896
N
ALA
113
11.840

−5.744
6.318
1.00
0.00
BrD
ATOM
1897
HN
ALA
113
10.932

−5.486
6.579
1.00
0.00
BrD
ATOM
1898
CA
ALA
113
12.492

−5.046
5.216
1.00
0.00
BrD
ATOM
1899
HA
ALA
113
13.355

−5.620
4.936
1.00
0.00
BrD
ATOM
1900
CB
ALA
113
11.573

−4.989
4.008
1.00
0.00
BrD
ATOM
1901
HB1
ALA
113
11.649

−5.914
3.455
1.00
0.00
BrD
ATOM
1902
HB2
ALA
113
11.865

−4.166
3.373
1.00
0.00
BrD
ATOM
1903
HB3
ALA
113
10.554

−4.848
4.336
1.00
0.00
BrD
ATOM
1904
C
ALA
113
12.953

−3.645
5.624
1.00
0.00
BrD
ATOM
1905
O
ALA
113
13.778

−3.035
4.943
1.00
0.00
BrD
ATOM
1906
N
GLY
114
12.435

−3.146
6.743
1.00
0.00
BrD
ATOM
1907
HN
GLY
114
11.790

−3.678
7.255
1.00
0.00
BrD
ATOM
1908
CA
GLY
114
12.833

−1.836
7.229
1.00
0.00
BrD
ATOM
1909
HA1
GLY
114
12.506

−1.732
8.253
1.00
0.00
BrD
ATOM
1910
HA2
GLY
114
13.911

−1.769
7.200
1.00
0.00
BrD
ATOM
1911
C
GLY
114
12.252

0.695
6.414
1.00
0.00
BrD
ATOM
1912
O
GLY
114
12.991

−0.085
5.813
1.00
0.00
BrD
ATOM
1913
N
LEU
115
10.927

−0.590
6.405
1.00
0.00
BrD
ATOM
1914
HN
LEU
115
10.398

1.231
6.921
1.00
0.00
BrD
ATOM
1915
CA
LEU
115
10.244

0.482
5.683
1.00
0.00
BrD
ATOM
1916
HA
LEU
115
10.991

−1.195
5.369
1.00
0.00
BrD
ATOM
1917
CB
LEU
115
9.523

−0.066
4.442
1.00
0.00
BrD
ATOM
1918
HB1
LEU
115
8.622

0.563
4.768
1.00
0.00
BrD
ATOM
1919
HB2
LEU
115
9.240

−0.773
3.824
1.00
0.00
BrD
ATOM
1920
CG
LEU
115
10.322

−1.047
3.570
1.00
0.00
BrD
ATOM
1921
HG
LEU
115
9.929

−1.000
2.565
1.00
0.00
BrD
ATOM
1922
CD1
LEU
115
10.120

−2.469
4.061
1.00
0.00
BrD
ATOM
1923
HD11
LEU
115
10.216

−3.149
3.228
1.00
0.00
BrD
ATOM
1924
HD12
LEU
115
9.137

−2.571
4.493
1.00
0.00
BrD
ATOM
1925
HD13
LEU
115
10.868

−2.699
4.804
1.00
0.00
BrD
ATOM
1926
CD2
LEU
115
11.790

−0.683
3.517
1.00
0.00
BrD
ATOM
1927
HD21
LEU
115
12.358

1.397
4.094
1.00
0.00
BrD
ATOM
1928
HD22
LEU
115
12.932

−0.306
3.924
1.00
0.00
BrD
ATOM
1929
HD23
LEU
115
12.127

0.701
2.491
1.00
0.00
BrD
ATOM
1930
C
LEU
115
9.246

1.193
6.603
1.00
0.00
BrD
ATOM
1931
O
LEU
115
9.407

1.183
7.823
1.00
0.00
BrD
ATOM
1932
N
ILE
116
8.209

1.801
6.018
1.00
0.00
BrD
ATOM
1933
HN
ILE
116
8.131

1.787
5.043
1.00
0.00
BrD
ATOM
1934
CA
ILE
116
7.196

2.518
6.794
1.00
0.00
BrD
ATOM
1935
HA
ILE
116
7.614

3.470
7.083
1.00
0.00
BrD
ATOM
1936
CB
ILE
116
5.930

2.786
5.956
1.00
0.00
BrD
ATOM
1937
HB
ILE
116
5.183

3.218
6.605
1.00
0.00
BrD
ATOM
1938
CG1
ILE
116
5.388

1.480
5.367
1.00
0.00
BrD
ATOM
1939
HG11
ILE
116
4.697

1.713
4.570
1.00
0.00
BrD
ATOM
1940
HG12
ILE
116
6.209

0.904
4.968
1.00
0.00
BrD
ATOM
1941
CG2
ILE
116
6.228

3.786
4.850
1.00
0.00
BrD
ATOM
1942
HG21
ILE
116
5.309

4.261
4.538
1.00
0.00
BrD
ATOM
1943
HG22
ILE
116
6.671

3.271
4.010
1.00
0.00
BrD
ATOM
1944
HG23
ILE
116
6.914

4.534
5.217
1.00
0.00
BrD
ATOM
1945
CD1
ILE
116
4.662

0.615
6.373
1.00
0.00
BrD
ATOM
1946
HD11
ILE
116
3.870

0.073
5.875
1.00
0.00
BrD
ATOM
1947
HD12
ILE
116
4.240

−1.238
7.147
1.00
0.00
BrD
ATOM
1948
HD13
ILE
116
5.356

0.086
6.812
1.00
0.00
BrD
ATOM
1949
C
ILE
116
6.802

1.751
8.053
1.00
0.00
BrD
ATOM
1950
O
ILE
116
7.024

0.544
8.154
1.00
0.00
BrD
ATOM
1951
N
ASP
117
6.222

2.465
9.014
1.00
0.00
BrD
ATOM
1952
HN
ASP
117
6.079

3.424
8.874
1.00
0.00
BrD
ATOM
1953
CA
ASP
117
5.805

1.862
10.275
1.00
0.00
BrD
ATOM
1954
HA
ASP
117
5.197

2.585
10.798
1.00
0.00
BrD
ATOM
1955
CB
ASP
117
4.967

−0.609
10.013
1.00
0.00
BrD
ATOM
1956
HB1
ASP
117
5.564

0.267
10.220
1.00
0.00
BrD
ATOM
1957
HB2
ASP
117
4.664

0.596
8.976
1.00
0.00
BrD
ATOM
1958
CG
ASP
117
3.722

0.555
10.876
1.00
0.00
BrD
ATOM
1959
OD1
ASP
117
2.897

−1.488
10.787
1.00
0.00
BrD
ATOM
1960
OD2
ASP
117
3.572

0.421
11.641
1.00
0.00
BrD
ATOM
1961
C
ASP
117
7.006

1.506
11.154
1.00
0.00
BrD
ATOM
1962
O
ASP
117
6.846

0.892
12.209
1.00
0.00
BrD
ATOM
1963
N
LYS
118
8.206

1.897
10.725
1.00
0.00
BrD
ATOM
1964
HN
LYS
118
8.282

2.384
9.879
1.00
0.00
BrD
ATOM
1965
CA
LYS
118
9.416

1.613
11.488
1.00
0.00
BrD
ATOM
1966
HA
LYS
118
10.248

2.063
10.968
1.00
0.00
BrD
ATOM
1967
CB
LYS
118
9.315

2.220
12.889
1.00
0.00
BrD
ATOM
1968
HB1
LYS
118
8.636

1.624
13.480
1.00
0.00
BrD
ATOM
1969
HB2
LYS
118
10.292

2.199
13.349
1.00
0.00
BrD
ATOM
1970
CG
LYS
118
8.818

3.656
12.895
1.00
0.00
BrD
ATOM
1971
HG1
LYS
118
7.921

3.719
12.296
1.00
0.00
BrD
ATOM
1972
HG2
LYS
118
8.595

3.946
13.911
1.00
0.00
BrD
ATOM
1973
CD
LYS
118
9.857

4.608
12.327
1.00
0.00
BrD
ATOM
1974
HD1
LYS
118
10.477

4.972
13.133
1.00
0.00
BrD
ATOM
1975
HD2
LYS
118
10.469

4.075
11.613
1.00
0.00
BrD
ATOM
1976
CE
LYS
118
9.208

5.794
11.631
1.00
0.00
BrD
ATOM
1977
HE1
LYS
118
8.502

5.425
10.902
1.00
0.00
BrD
ATOM
1978
HE2
LYS
118
8.607

6.386
12.369
1.00
0.00
BrD
ATOM
1979
NZ
LYS
118
10.212

6.652
10.943
1.00
0.00
BrD
ATOM
1980
HZ1
LYS
118
11.163

6.458
11.316
1.00
0.00
BrD
ATOM
1981
HZ2
LYS
118
9.989

7.656
11.096
1.00
0.00
BrD
ATOM
1982
HZ3
LYS
118
10.206

6.459
9.921
1.00
0.00
BrD
ATOM
1983
C
LYS
118
9.657

−0.110
11.591
1.00
0.00
BrD
ATOM
1984
OT1
LYS
118
9.047

−0.641
10.802
1.00
0.00
BrD
ATOM
1985
OT2
LYS
118
10.454

0.302
12.459
1.00
0.00
BrD
END

TABLE 10

Atomic Structure Coordinates of the P/CAF Bromadomain and HIV-1 Tat Peptide Complex

REMARK
FILENAME=*/scratch/yan/brdt_structure/aria/006_aria/structure/it8/com²

REMARK
initial random number seed: 7.181155E+08

REMARK
===============================================================

REMARK
overall,bonds,angles,improper,vdw,noe,cdih

REMARK
energies: 357.846, 19.6767, 221.828, 0, 46.7405, 53.2937, 0.322397

REMARK
===============================================================

REMARK
bonds,angles,impropers,noe,cdih

REMARK
rms-dev.: 2.981175E−03,0.603415,49.7283,1.944833E−02,0.313045

REMARK
===============================================================

REMARK
noe, cdih

REMARK
violations.: 0, 0

REMARK
===============================================================

REMARK
DATE:22-Jun-00 03:41:18 created by user: yan

ATOM
1
CA
SBR
201
−17.505
−2.996
−13.433
1.00
0.00
PEPT

ATOM
2
HA
SBR
201
−17.429
−4.006
−13.060
1.00
0.00
PEPT

ATOM
3
CB
SBR
201
−17.337
−2.976
−14.954
1.00
0.00
PEPT

ATOM
4
HB1
SBR
201
−18.136
−2.400
−15.398
1.00
0.00
PEPT

ATOM
5
HB2
SBR
201
−16.387
−2.527
−15.206
1.00
0.00
PEPT

ATOM
6
OG
SBR
201
−17.378
−4.305
−15.453
1.00
0.00
PEPT

ATOM
7
HG
SBR
201
−16.763
−4.365
−16.188
1.00
0.00
PEPT

ATOM
8
C
SBR
201
−16.455
−2.101
−12.771
1.00
0.00
PEPT

ATOM
9
O
SBR
201
−15.403
−1.847
−13.325
1.00
0.00
PEPT

ATOM
10
N
SBR
201
−18.872
−2.455
−13.192
1.00
0.00
PEPT

ATOM
11
HT1
SBR
201
−18.899
−1.449
−13.457
1.00
0.00
PEPT

ATOM
12
HT2
SBR
201
−19.112
−2.555
−12.185
1.00
0.00
PEPT

ATOM
13
HT3
SBR
201
−18.560
−2.983
−13.766
1.00
0.00
PEPT

ATOM
14
N
TYR
202
−16.732
−1.618
−11.591
1.00
0.00
PEPT

ATOM
15
HN
TYR
202
−17.585
−1.834
−11.161
1.00
0.00
PEPT

ATOM
16
CA
TYR
202
−15.749
−0.740
−10.896
1.00
0.00
PEPT

ATOM
17
HA
TYR
202
−14.933
−0.492
−11.559
1.00
0.00
PEPT

ATOM
18
CB
TYR
2902
−16.539
0.519
−10.531
1.00
0.00
PEPT

ATOM
19
HB1
TYR
202
−17.594
0.333
−10.666
1.00
0.00
PEPT

ATOM
20
HB2
TYR
202
−16.437
0.778
−9.500
1.00
0.00
PEPT

ATOM
21
CG
TYR
202
−16.111
1.659
−11.425
1.00
0.00
PEPT

ATOM
22
CD1
TYR
202
−14.755
1.990
−11.538
1.00
0.00
PEPT

ATOM
23
HD1
TYR
202
−14.015
1.429
−10.988
1.00
0.00
PEPT

ATOM
24
CD2
TYR
202
−17.071
2.387
−12.138
1.00
0.00
PEPT

ATOM
25
HD2
TYR
202
−18.117
2.132
−12.050
1.00
0.00
PEPT

ATOM
26
CE1
TYR
202
−14.360
3.048
−12.365
1.00
0.00
PEPT

ATOM
27
HE1
TYR
202
−13.314
3.303
−12.454
1.00
0.00
PEPT

ATOM
28
CE2
TYR
202
−16.676
3.445
−12.965
1.00
0.00
PEPT

ATOM
29
HE2
TYR
202
−17.417
4.006
−13.515
1.00
0.00
PEPT

ATOM
30
CZ
TYR
202
−15.321
3.776
−13.078
1.00
0.00
PEPT

ATOM
31
OH
TYR
202
−14.931
4.818
−13.894
1.00
0.00
PEPT

ATOM
32
NH
TYR
202
−14.871
4.485
−14.793
1.00
0.00
PEPT

ATOM
33
C
TYR
202
−15.221
−1.425
−9.613
1.00
0.00
PEPT

ATOM
34
O
TYR
202
−15.566
−2.551
−9.336
1.00
0.00
PEPT

ATOM
35
N
GLY
203
−14.384
−0.755
−8.889
1.00
0.00
PEPT

ATOM
36
HN
GLY
203
−14.115
0.151
−9.148
1.00
0.00
PEPT

ATOM
37
CA
GLY
203
−13.828
−1.370
−7.651
1.00
0.00
PEPT

ATOM
38
HA1
GLY
203
−13.045
−0.738
−7.254
1.00
0.00
PEPT

ATOM
39
HA2
GLY
203
−13.422
−2.343
−7.884
1.00
0.00
PEPT

ATOM
40
C
GLY
203
−14.940
−1.519
−6.610
1.00
0.00
PEPT

ATOM
41
O
GLY
203
−16.084
−1.193
−6.858
1.00
0.00
PEPT

ATOM
42
N
ARG
204
−14.612
−2.005
−5.445
1.00
0.00
PEPT

ATOM
43
HN
ARG
204
−13.682
−2.258
−5.264
1.00
0.00
PEPT

ATOM
44
CA
ARG
204
−15.646
−2.167
−4.385
1.00
0.00
PEPT

ATOM
45
HA
ARG
204
−16.369
−1.366
−4.441
1.00
0.00
PEPT

ATOM
46
CB
ARG
204
−16.316
−3.509
−4.687
1.00
0.00
PEPT

ATOM
47
HB1
ARG
204
−15.760
−4.023
−5.458
1.00
0.00
PEPT

ATOM
48
HB2
ARG
204
−16.333
−4.113
−3.792
1.00
0.00
PEPT

ATOM
49
CG
ARG
204
−17.748
−3.267
−5.167
1.00
0.00
PEPT

ATOM
50
HG1
ARG
204
−18.183
−4.200
−5.492
1.00
0.00
PEPT

ATOM
51
HG2
ARG
204
−17.739
−2.588
−5.990
1.00
0.00
PEPT

ATOM
52
CD
ARG
204
−18.579
−2.690
−4.019
1.00
0.00
PEPT

ATOM
53
HD1
ARG
204
−17.933
−2.323
−3.235
1.00
0.00
PEPT

ATOM
54
HD2
ARG
204
−19.254
−3.439
−3.631
1.00
0.00
PEPT

ATOM
55
NE
ARG
204
−19.347
−1.565
−4.631
1.00
0.00
PEPT

ATOM
56
HE
ARG
204
−19.456
−1.527
−5.604
1.00
0.00
PEPT

ATOM
57
CE
ARG
204
−19.876
−0.625
−3.882
1.00
0.00
PEPT

ATOM
58
NH1
ARG
204
−20.540
0.346
−4.446
1.00
0.00
PEPT

ATOM
59
HH11
ARG
204
−20.643
0.370
−5.441
1.00
0.00
PEPT

ATOM
60
HH12
ARG
204
−20.948
1.066
−3.884
1.00
0.00
PEPT

ATOM
61
NH2
ARG
204
−19.747
−0.647
−2.578
1.00
0.00
PEPT

ATOM
62
HH21
ARG
204
−19.242
−1.385
−2.132
1.00
0.00
PEPT

ATOM
63
HH22
ARG
204
−20.159
0.078
−2.026
1.00
0.00
PEPT

ATOM
64
C
ARG
204
−14.989
−2.196
−3.004
1.00
0.00
PEPT

ATOM
65
O
ARG
204
−14.176
−3.050
−2.711
1.00
0.00
PEPT

ATOM
66
N
ACK
205
−15.330
−1.265
−2.157
1.00
0.00
PEPT

ATOM
67
HN
ACK
205
−15.987
−0.585
−2.414
1.00
0.00
PEPT

ATOM
68
CA
ACK
205
−14.721
−1.234
−0.798
1.00
0.00
PEPT

ATOM
69
HA
ACK
205
−13.812
−1.818
−0.780
1.00
0.00
PEPT

ATOM
70
CB
ACK
205
−14.409
0.242
−0.543
1.00
0.00
PEPT

ATOM
71
HB1
ACK
205
−13.927
0.348
0.417
1.00
0.00
PEPT

ATOM
72
HB2
ACK
205
−15.327
0.811
−0.550
1.00
0.00
PEPT

ATOM
73
CG
ACK
205
−13.478
0.763
−1.641
1.00
0.00
PEPT

ATOM
74
HG1
ACK
205
−13.504
1.842
−1.654
1.00
0.00
PEPT

ATOM
75
HG2
ACK
205
−13.803
0.383
−2.598
1.00
0.00
PEPT

ATOM
76
CD
ACK
205
−12.050
0.290
−1.364
1.00
0.00
PEPT

ATOM
77
HD1
ACK
205
−11.951
0.036
−0.318
1.00
0.00
PEPT

ATOM
78
HD2
ACK
205
−11.355
1.079
−1.610
1.00
0.00
PEPT

ATOM
79
CE
ACK
205
−11.746
−0.942
−2.218
1.00
0.00
PEPT

ATOM
80
HE1
ACK
205
−11.397
−0.645
−3.196
1.00
0.00
PEPT

ATOM
81
HH2
ACK
205
−12.623
−1.566
−2.304
1.00
0.00
PEPT

ATOM
82
HZ
ACK
205
−10.670
−1.661
−1.480
1.00
0.00
PEPT

ATOM
83
HZ
ACK
205
−10.904
−2.343
−0.816
1.00
0.00
PEPT

ATOM
84
CH
ACK
205
−8.427
−1.745
−0.561
1.00
0.00
PEPT

ATOM
85
HH1
ACK
205
−8.427
−2.823
−0.493
1.00
0.00
PEPT

ATOM
86
HH2
ACK
205
−8.712
−1.324
0.392
1.00
0.00
PEPT

ATOM
87
HH3
ACK
205
−7.438
−1.401
−0.825
1.00
0.00
PEPT

ATOM
88
C
ACK
205
−15.713
−1.760
0.241
1.00
0.00
PEPT

ATOM
89
O
ACK
205
−16.629
−2.490
−0.078
1.00
0.00
PEPT

ATOM
90
C1
ACK
205
−9.425
−1.302
−1.632
1.00
0.00
PEPT

ATOM
91
O1
ACK
205
−9.083
−0.591
−2.556
1.00
0.00
PEPT

ATOM
92
N
LYS
206
−15.537
−1.398
1.483
1.00
0.00
PEPT

ATOM
93
HN
LYS
206
−14.788
−0.812
1.722
1.00
0.00
PEPT

ATOM
94
CA
LYS
206
−16.647
−1.889
2.537
1.00
0.00
PEPT

ATOM
95
HA
LYS
206
−16.350
−2.954
2.666
1.00
0.00
PEPT

ATOM
96
CB
LYS
206
−16.042
−1.154
3.812
1.00
0.00
PEPT

ATOM
97
HB1
LYS
206
15.494
−0.262
3.548
1.00
0.00
PEPT

ATOM
98
HB2
LYS
206
−16.920
−0.882
4.379
1.00
0.00
PEPT

ATOM
99
CG
LYS
206
−15.152
−2.068
4.657
1.00
0.00
PEPT

ATOM
100
HG1
LYS
206
−14.830
−2.909
24.060
1.00
0.00
PEPT

ATOM
101
HG2
LYS
206
−14.289
−1.516
4.996
1.00
0.00
PEPT

ATOM
102
CD
LYS
206
−15.942
−2.573
5.866
1.00
0.00
PEPT

ATOM
103
HD1
LYS
206
−16.711
−3.255
5.535
1.00
0.00
PEPT

ATOM
104
HD2
LYS
206
−16.397
−1.736
6.374
1.00
0.00
PEPT

ATOM
105
CE
LYS
206
−14.997
−3.299
6.825
1.00
0.00
PEPT

ATOM
106
HE1
LYS
206
−14.494
−2.590
7.466
1.00
0.00
PEPT

ATOM
107
HE2
LYS
206
−14.276
−3.884
6.272
1.00
0.00
PEPT

ATOM
108
NZ
LYS
206
−15.880
−4.190
7.629
1.00
0.00
PEPT

ATOM
109
HE1
LYS
206
−15.300
−4.761
8.276
1.00
0.00
PEPT

ATOM
110
HE2
LYS
206
−16.410
−4.818
6.992
1.00
0.00
PEPT

ATOM
111
NZ3
LYS
206
−16.546
−3.612
8.179
1.00
0.00
PEPT

ATOM
112
C
LYS
206
−17.918
−1.557
2.166
1.00
0.00
PEPT

ATOM
113
O
LYS
206
−18.595
−2.344
1.535
1.00
0.00
PEPT

ATOM
114
N
ARG
207
−18.408
−0.404
2.554
1.00
0.00
PEPT

ATOM
115
HN
ARG
207
−17.849
0.223
3.056
1.00
0.00
PEPT

ATOM
116
CA
ARG
287
−19.815
−0.032
2.217
1.00
0.00
PEPT

ATOM
117
HA
ARG
207
−20.105
0.058
2.755
1.00
0.00
PEPT

ATOM
118
CB
ARG
207
−19.799
0.240
0.712
1.00
0.009
PEPT

ATOM
119
HE1
ARG
207
−18.778
0.299
0.367
1.00
0.00
PEPT

ATOM
120
HB2
ARG
207
−20.308
−0.560
0.195
1.00
0.00
PEPT

ATOM
121
CG
ARG
207
−20.511
1.565
0.428
1.00
0.00
PEPT

ATOM
122
HG1
ARG
207
−20.749
1.627
−0.624
1.00
0.00
PEPT

ATOM
123
HG2
ARG
207
−21.422
1.615
1.006
1.00
0.00
PEPT

ATOM
124
CD
ARG
207
−19.595
2.729
0.813
1.00
0.00
PEPT

ATOM
125
HD1
ARG
207
−18.731
2.365
1.350
1.00
0.00
PEPT

ATOM
126
HD2
ARG
207
−19.289
3.274
−0.067
1.00
0.00
PEPT

ATOM
127
NE
ARG
207
−20.428
3.597
1.698
1.00
0.00
PEPT

ATOM
128
HE
ARG
207
−21.363
3.357
1.869
1.00
0.00
PEPT

ATOM
129
CZ
ARG
207
−19.925
4.678
2.248
1.00
0.00
PEPT

ATOM
130
NH1
ARG
207
−20.678
5.417
3.016
1.00
0.00
PEPT

ATOM
131
HH11
ARG
207
−20.304
6.242
3.440
1.00
0.00
PEPT

ATOM
132
HH12
ARG
207
−21.630
5.158
3.181
1.00
0.00
PEPT

ATOM
133
NH2
ARG
207
−18.679
5.027
2.039
1.00
0.00
PEPT

ATOM
134
HH21
ARG
207
−18.316
5.854
2.468
1.00
0.00
PEPT

ATOM
135
HH22
ARG
207
−18.090
4.472
1.453
1.00
0.00
PEPT

ATOM
136
C
ARG
207
−20.773
−1.184
2.540
1.00
0.00
PEPT

ATOM
137
O
ARG
207
−21.447
−1.705
1.673
1.00
0.00
PEPT

ATOM
138
N
ARG
208
−20.833
−1.590
3.779
1.00
0.00
PEPT

ATOM
139
HN
ARG
208
−20.279
−1.159
4.463
1.00
0.00
PEPT

ATOM
140
CA
ARG
208
−21.740
−2.713
4.155
1.00
0.00
PEPT

ATOM
141
HA
ARG
208
−21.360
−3.647
3.766
1.00
0.00
PEPT

ATOM
142
CB
ARG
208
−21.730
−2.732
5.685
1.00
0.00
PEPT

ATOM
143
HB1
ARG
208
−22.428
−3.476
6.041
1.00
0.00
PEPT

ATOM
144
HB2
ARG
208
−20.737
−2.975
6.035
1.00
0.00
PEPT

ATOM
145
CG
ARG
208
−22.135
−1.356
6.218
1.00
0.00
PEPT

ATOM
146
HG1
ARG
208
−22.919
−1.471
6.952
1.00
0.00
PEPT

ATOM
147
HG2
ARG
208
−22.493
−0.745
5.402
1.00
0.00
PEPT

ATOM
148
CD
ARG
208
−20.923
−0.684
6.866
1.00
0.00
PEPT

ATOM
149
HD1
ARG
208
−20.219
−1.428
7.209
1.00
0.00
PEPT

ATOM
150
HD2
ARG
208
−20.448
−0.010
6.167
1.00
0.00
PEPT

ATOM
151
NE
ARG
208
−21.480
0.077
8.024
1.00
0.00
PEPT

ATOM
152
HE
ARG
208
−22.448
0.220
8.088
1.00
0.00
PEPT

ATOM
153
CZ
ARG
208
−20.691
0.558
8.957
1.00
0.00
PEPT

ATOM
154
NH1
ARG
208
−21.207
1.219
9.957
1.00
0.00
PEPT

ATOM
155
HH11
ARG
208
−22.197
1.356
10.008
1.00
0.00
PEPT

ATOM
156
HH12
ARG
208
−20.614
1.588
10.672
1.00
0.00
PEPT

ATOM
157
NH2
ARG
208
−19.393
0.384
8.900
1.00
0.00
PEPT

ATOM
158
HH21
ARG
208
−18.810
0.758
9.621
1.00
0.00
PEPT

ATOM
159
HH22
ARG
208
−18.983
−0.119
8.141
1.00
0.00
PEPT

ATOM
160
C
ARG
208
−23.156
−2.457
3.633
1.00
0.00
PEPT

ATOM
161
O
ARG
208
−23.538
−1.334
3.371
1.00
0.00
PEPT

ATOM
162
N
GLN
209
−23.934
−3.492
3.472
1.00
0.00
PEPT

ATOM
163
HN
GLN
209
−23.605
−4.391
3.685
1.00
0.00
PEPT

ATOM
164
CA
GLN
209
−25.320
−3.309
2.958
1.00
0.00
PEPT

ATOM
165
HA
GLN
209
−25.592
−2.264
2.972
1.00
0.00
PEPT

ATOM
166
CB
GLN
209
−25.272
−3.828
1.520
1.00
0.00
PEPT

ATOM
167
HB1
GLN
209
−24.571
−3.239
0.947
1.00
0.00
PEPT

ATOM
168
HB2
GLN
209
−26.253
−3.752
1.076
1.00
0.00
PEPT

ATOM
169
CG
GLN
209
−24.826
−5.291
1.523
1.00
0.00
PEPT

ATOM
170
HG1
GLN
209
−23.853
−5.370
1.987
1.00
0.00
PEPT

ATOM
171
HG2
GLN
209
−25.538
−5.884
2.078
1.00
0.00
PEPT

ATOM
172
CD
GLN
209
−24.747
−5.803
0.084
1.00
0.00
PEPT

ATOM
173
OE1
GLN
209
−25.655
−5.600
−0.697
1.00
0.00
PEPT

ATOM
174
NE2
GLN
209
−23.690
−6.464
−0.304
1.00
0.00
PEPT

ATOM
175
HE21
GLN
209
−22.957
−6.628
0.326
1.00
0.00
PEPT

ATOM
176
HE22
GLN
209
−23.630
−6.796
−1.224
1.00
0.00
PEPT

ATOM
177
C
GLN
209
−26.310
−4.131
3.786
1.00
0.00
PEPT

ATOM
178
O
GLN
209
−27.150
−4.828
3.253
1.00
0.00
PEPT

ATOM
179
N
ARG
210
−26.219
−4.056
5.085
1.00
0.00
PEPT

ATOM
180
HN
ARG
210
−25.534
−3.488
5.496
1.00
0.00
PEPT

ATOM
181
CA
ARG
210
−27.156
−4.833
5.942
1.00
0.00
PEPT

ATOM
182
HA
ARG
210
−27.759
−5.494
5.337
1.00
0.00
PEPT

ATOM
183
CB
ARG
210
−26.255
−5.642
6.876
1.00
0.00
PEPT

ATOM
184
HB1
ARG
210
−25.239
−5.612
6.511
1.00
0.00
PEPT

ATOM
185
HB2
ARG
210
−26.292
−5.220
7.869
1.00
0.00
PEPT

ATOM
186
CG
ARG
210
−26.739
−7.093
6.920
1.00
0.00
PEPT

ATOM
187
HG1
ARG
210
−27.268
−7.268
7.844
1.00
0.00
PEPT

ATOM
188
HG2
ARG
210
−27.400
−7.277
6.085
1.00
0.00
PEPT

ATOM
189
CD
ARG
210
−25.536
−8.034
6.834
1.00
0.00
PEPT

ATOM
190
HD1
ARG
210
−24.755
−7.593
6.233
1.00
0.00
PEPT

ATOM
191
HD2
ARG
210
−25.833
−8.988
6.424
1.00
0.00
PEPT

ATOM
192
NE
ARG
210
−25.076
−8.196
8.245
1.00
0.00
PEPT

ATOM
193
HE
ARG
210
−25.548
−7.726
8.964
1.00
0.00
PEPT

ATOM
194
CZ
ARG
210
−24.048
−8.959
8.536
1.00
0.00
PEPT

ATOM
195
NH1
ARG
210
−23.396
−9.600
7.598
1.00
0.00
PEPT

ATOM
196
HH11
ARG
210
−23.673
−9.517
6.642
1.00
0.00
PEPT

ATOM
197
HH12
ARG
210
−22.615
−10.177
7.840
1.00
0.00
PEPT

ATOM
198
NH2
ARG
210
−23.670
−9.081
9.780
1.00
0.00
PEPT

ATOM
199
HH21
ARG
210
−24.163
−8.595
10.502
1.00
0.00
PEPT

ATOM
200
HH22
ARG
210
−22.889
−9.660
10.010
1.00
0.00
PEPT

ATOM
201
C
ARG
210
−28.049
−3.887
6.748
1.00
0.00
PEPT

ATOM
202
O
ARG
210
−27.996
−3.849
7.961
1.00
0.00
PEPT

ATOM
203
N
CYS
211
−28.871
−3.123
6.081
1.00
0.00
PEPT

ATOM
204
HN
CYS
211
−28.899
−3.170
5.103
1.00
0.00
PEPT

ATOM
205
CA
CYS
211
−29.768
−2.181
6.808
1.00
0.00
PEPT

ATOM
206
HA
CYS
211
−29.218
−1.650
7.571
1.00
0.00
PEPT

ATOM
207
CB
CYS
211
−30.265
−1.210
5.735
1.00
0.00
PEPT

ATOM
208
HB1
CYS
211
−31.316
−1.016
5.885
1.00
0.00
PEPT

ATOM
209
HB2
CYS
211
−30.115
−1.645
4.758
1.00
0.00
PEPT

ATOM
210
SG
CYS
211
−29.342
0.343
5.852
1.00
0.00
PEPT

ATOM
211
HG
CYS
211
−29.855
1.026
5.412
1.00
0.00
PEPT

ATOM
212
C
CYS
211
−30.945
−2.938
7.426
1.00
0.00
PEPT

ATOM
213
OT1
CYS
211
−31.469
−2.467
8.422
1.00
0.00
PEPT

ATOM
214
OT2
CYS
211
−31.335
−3.948
6.863
1.00
0.00
PEPT

ATOM
215
CA
GLY
1
17.925
−0.524
−16.383
1.00
0.00
PROT

ATOM
216
HA1
GLY
1
18.902
−0.984
−16.371
1.00
0.00
PROT

ATOM
217
HA2
GLY
1
17.350
−0.921
−17.207
1.00
0.00
PROT

ATOM
218
C
GLY
1
17.204
−0.822
−15.067
1.00
0.00
PROT

ATOM
219
O
GLY
1
16.580
0.040
−14.481
1.00
0.00
PROT

ATOM
220
N
GLY
1
18.073
0.950
−16.545
1.00
0.00
PROT

ATOM
221
HT1
GLY
1
18.494
1.157
−17.473
1.00
0.00
PROT

ATOM
222
HT2
GLY
1
18.690
1.321
−15.794
1.00
0.00
PROT

ATOM
223
HT3
GLY
1
17.138
1.401
−16.479
1.00
0.00
PROT

ATOM
224
N
SER
2
17.286
−2.037
−14.598
1.00
0.00
PROT

ATOM
225
HN
SER
2
17.795
−2.718
−15.085
1.00
0.00
PROT

ATOM
226
CA
SER
2
16.606
−2.390
−13.319
1.00
0.00
PROT

ATOM
227
HA
SER
2
16.408
−1.500
−12.741
1.00
0.00
PROT

ATOM
228
CB
SER
2
15.294
−3.053
−13.743
1.00
0.00
PROT

ATOM
229
HB1
SER
2
14.650
−3.159
−12.883
1.00
0.00
PROT

ATOM
230
HB2
SER
2
14.804
−2.440
−14.486
1.00
0.00
PROT

ATOM
231
OG
SER
2
15.567
−4.334
−14.292
1.00
0.00
PROT

ATOM
232
HG
SER
2
14.944
−4.957
−13.912
1.00
0.00
PROT

ATOM
233
C
SER
2
17.462
−3.369
−12.514
1.00
0.00
PROT

ATOM
234
O
SER
2
16.955
−4.243
−11.839
1.00
0.00
PROT

ATOM
235
N
HIS
3
18.758
−3.231
−12.579
1.00
0.00
PROT

ATOM
236
HN
HIS
3
19.148
−2.520
−13.129
1.00
0.00
PROT

ATOM
237
CA
HIS
3
19.645
−4.154
−11.817
1.00
0.00
PROT

ATOM
238
HA
HIS
3
19.067
−4.738
−11.117
1.00
0.00
PROT

ATOM
239
CB
HIS
3
20.270
−5.060
−12.879
1.00
0.00
PROT

ATOM
240
HB1
HIS
3
21.308
−5.234
−12.637
1.00
0.00
PROT

ATOM
241
HB2
HIS
3
20.201
−4.582
−13.845
1.00
0.00
PROT

ATOM
242
CG
HIS
3
19.537
−6.372
−12.914
1.00
0.00
PROT

ATOM
243
ND1
HIS
3
20.188
−7.586
−12.767
1.00
0.00
PROT

ATOM
244
HD1
HIS
3
21.150
−7.714
−12.630
1.00
0.00
PROT

ATOM
245
CD2
HIS
3
18.208
−6.677
−13.082
1.00
0.00
PROT

ATOM
246
HD2
HIS
3
17.417
−5.955
−13.224
1.00
0.00
PROT

ATOM
247
CE1
HIS
3
19.260
−8.556
−12.847
1.00
0.00
PROT

ATOM
248
HE1
HIS
3
19.478
−9.611
−12.767
1.00
0.00
PROT

ATOM
249
NE2
HIS
3
18.036
−8.057
−13.039
1.00
0.00
PROT

ATOM
250
C
HIS
3
20.732
−3.364
−11.084
1.00
0.00
PROT

ATOM
251
O
HIS
3
21.067
−3.654
−9.953
1.00
0.00
PROT

ATOM
252
N
MET
4
21.285
−2.366
−11.720
1.00
0.00
PROT

ATOM
253
HN
MET
4
21.000
−2.148
−12.632
1.00
0.00
PROT

ATOM
254
CA
MET
4
22.348
−1.558
−11.058
1.00
0.00
PROT

ATOM
255
HA
MET
4
22.732
−2.079
−10.193
1.00
0.00
PROT

ATOM
256
CB
MET
4
23.443
−1.406
−12.116
1.00
0.00
PROT

ATOM
257
HB1
MET
4
23.093
−0.757
−12.905
1.00
0.00
PROT

ATOM
258
HB2
MET
4
23.684
−2.375
−12.527
1.00
0.00
PROT

ATOM
259
CG
MET
4
24.692
−0.800
−11.473
1.00
0.00
PROT

ATOM
260
HG1
MET
4
24.729
−1.072
−10.429
1.00
0.00
PROT

ATOM
261
HG2
MET
4
24.658
0.276
−11.563
1.00
0.00
PROT

ATOM
262
SD
MET
4
26.168
−1.427
−12.313
1.00
0.00
PROT

ATOM
263
CE
MET
4
26.561
−2.741
−11.131
1.00
0.00
PROT

ATOM
264
HE1
MET
4
26.796
−2.304
−10.172
1.00
0.00
PROT

ATOM
265
HE2
MET
4
27.412
−3.303
−11.489
1.00
0.00
PROT

ATOM
266
HE3
MET
4
25.712
−3.400
−11.029
1.00
0.00
PROT

ATOM
267
C
MET
4
21.803
−0.186
−10.656
1.00
0.00
PROT

ATOM
268
O
MET
4
22.538
0.774
−10.534
1.00
0.00
PROT

ATOM
269
N
SER
5
20.519
−0.085
−10.450
1.00
0.00
PROT

ATOM
270
HN
SER
5
19.943
−0.871
−10.553
1.00
0.00
PROT

ATOM
271
CA
SER
5
19.928
1.225
−10.055
1.00
0.00
PROT

ATOM
272
HA
SER
5
20.603
1.761
−9.405
1.00
0.00
PROT

ATOM
273
CB
SER
5
19.740
1.984
−11.370
1.00
0.00
PROT

ATOM
274
HB1
SER
5
18.706
1.924
−11.676
1.00
0.00
PROT

ATOM
275
HB2
SER
5
20.366
1.544
−12.132
1.00
0.00
PROT

ATOM
276
OG
SER
5
20.102
3.344
−11.186
1.00
0.00
PROT

ATOM
277
HG
SER
5
20.950
3.368
−10.737
1.00
0.00
PROT

ATOM
278
C
SER
5
18.580
1.010
−9.365
1.00
0.00
PROT

ATOM
279
O
SER
5
17.934
−0.004
−9.546
1.00
0.00
PROT

ATOM
280
N
LYS
6
18.150
1.953
−8.571
1.00
0.00
PROT

ATOM
281
HN
LYS
6
18.686
2.762
−8.437
1.00
0.00
PROT

ATOM
282
CA
LYS
6
16.844
1.799
−7.868
1.00
0.00
PROT

ATOM
283
HA
LYS
6
16.679
2.628
−7.196
1.00
0.00
PROT

ATOM
284
CB
LYS
6
15.795
1.801
−8.985
1.00
0.00
PROT

ATOM
285
HB1
LYS
6
15.515
0.784
−9.217
1.00
0.00
PROT

ATOM
286
HB2
LYS
6
16.208
2.270
−9.866
1.00
0.00
PROT

ATOM
287
CG
LYS
6
14.559
2.577
−8.526
1.00
0.00
PROT

ATOM
288
HG1
LYS
6
13.676
1.977
−8.689
1.00
0.00
PROT

ATOM
289
HG2
LYS
6
14.648
2.807
−7.474
1.00
0.00
PROT

ATOM
290
CD
LYS
6
14.445
3.878
−9.325
1.00
0.00
PROT

ATOM
291
HD1
LYS
6
14.762
4.707
−8.710
1.00
0.00
PROT

ATOM
292
HD2
LYS
6
15.074
3.818
−10.201
1.00
0.00
PROT

ATOM
293
CE
LYS
6
12.991
4.087
−9.754
1.00
0.00
PROT

ATOM
294
HE1
LYS
6
12.328
3.952
−8.912
1.00
0.00
PROT

ATOM
295
HE2
LYS
6
12.733
3.405
−10.551
1.00
0.00
PROT

ATOM
296
NZ
LYS
6
12.935
5.495
−10.238
1.00
0.00
PROT

ATOM
297
HZ1
LYS
6
12.993
6.143
−9.426
1.00
0.00
PROT

ATOM
298
HZ2
LYS
6
12.040
5.652
−10.743
1.00
0.00
PROT

ATOM
299
HZ3
LYS
6
13.733
5.672
−10.881
1.00
0.00
PROT

ATOM
300
C
LYS
6
16.806
0.474
−7.103
1.00
0.00
PROT

ATOM
301
O
LYS
6
16.081
−0.436
−7.454
1.00
0.00
PROT

ATOM
302
N
GLU
7
17.584
0.355
−6.061
1.00
0.00
PROT

ATOM
303
HN
GLU
7
18.165
1.099
−5.796
1.00
0.00
PROT

ATOM
304
CA
GLU
7
17.598
−0.916
−5.282
1.00
0.00
PROT

ATOM
305
HA
GLU
7
16.681
−1.464
−5.442
1.00
0.00
PROT

ATOM
306
CB
GLU
7
18.790
−1.699
−5.837
1.00
0.00
PROT

ATOM
307
HB1
GLU
7
19.185
−2.347
−5.070
1.00
0.00
PROT

ATOM
308
HB2
GLU
7
19.558
−1.008
−6.154
1.00
0.00
PROT

ATOM
309
CG
GLU
7
18.338
−2.540
−7.032
1.00
0.00
PROT

ATOM
310
HG1
GLU
7
19.195
−2.797
−7.636
1.00
0.00
PROT

ATOM
311
HG2
GLU
7
17.635
−1.974
−7.626
1.00
0.00
PROT

ATOM
312
CD
GLU
7
17.667
−3.820
−6.529
1.00
0.00
PROT

ATOM
313
OE1
GLU
7
18.338
−4.600
−5.874
1.00
0.00
PROT

ATOM
314
OE2
GLU
7
16.493
−3.998
−6.809
1.00
0.00
PROT

ATOM
315
C
GLU
7
17.798
−0.631
−3.787
1.00
0.00
PROT

ATOM
316
O
GLU
7
18.086
0.486
−3.407
1.00
0.00
PROT

ATOM
317
N
PRO
8
17.670
−1.663
−2.985
1.00
0.00
PROT

ATOM
318
CA
PRO
8
17.831
−1.510
−1.520
1.00
0.00
PROT

ATOM
319
HA
PRO
8
17.380
−0.589
−1.179
1.00
0.00
PROT

ATOM
320
CB
PRO
8
17.082
−2.716
−0.960
1.00
0.00
PROT

ATOM
321
HB1
PRO
8
17.568
−3.072
−0.064
1.00
0.00
PROT

ATOM
322
HB2
PRO
8
16.050
−2.458
−0.747
1.00
0.00
PROT

ATOM
323
CG
PRO
8
17.156
−3.756
−2.035
1.00
0.00
PROT

ATOM
324
HG1
PRO
8
18.008
−4.396
−1.864
1.00
0.00
PROT

ATOM
325
HG2
PRO
8
16.252
−4.346
−2.040
1.00
0.00
PROT

ATOM
326
CD
PRO
8
17.310
−3.041
−3.355
1.00
0.00
PROT

ATOM
327
HD2
PRO
8
16.380
−3.054
−3.902
1.00
0.00
PROT

ATOM
328
HD1
PRO
8
18.098
−3.493
−3.937
1.00
0.00
PROT

ATOM
329
C
PRO
8
19.308
−1.575
−1.113
1.00
0.00
PROT

ATOM
330
O
PRO
8
19.625
−1.690
0.054
1.00
0.00
PROT

ATOM
331
N
ARG
9
20.212
−1.513
−2.059
1.00
0.00
PROT

ATOM
332
HN
ARG
9
19.936
−1.431
−2.994
1.00
0.00
PROT

ATOM
333
CA
ARG
9
21.665
−1.591
−1.720
1.00
0.00
PROT

ATOM
334
HA
ARG
9
22.256
−1.586
−2.624
1.00
0.00
PROT

ATOM
335
CB
ARG
9
21.957
−0.333
−0.896
1.00
0.00
PROT

ATOM
336
HB1
ARG
9
21.186
−0.198
−0.153
1.00
0.00
PROT

ATOM
337
HB2
ARG
9
22.914
−0.438
−0.405
1.00
0.00
PROT

ATOM
338
CG
ARG
9
21.991
0.886
−1.820
1.00
0.00
PROT

ATOM
339
HG1
ARG
9
22.503
1.699
−1.325
1.00
0.00
PROT

ATOM
340
HG2
ARG
9
22.513
0.633
−2.731
1.00
0.00
PROT

ATOM
341
CD
ARG
9
20.560
1.312
−2.153
1.00
0.00
PROT

ATOM
342
HD1
ARG
9
20.215
0.803
−3.041
1.00
0.00
PROT

ATOM
343
HD2
ARG
9
19.903
1.106
−1.321
1.00
0.00
PROT

ATOM
344
NE
ARG
9
20.647
2.782
−2.397
1.00
0.00
PROT

ATOM
345
HE
ARG
9
20.296
3.405
−1.727
1.00
0.00
PROT

ATOM
346
CZ
ARG
9
21.187
3.252
−3.497
1.00
0.00
PROT

ATOM
347
NH1
ARG
9
21.250
4.542
−3.682
1.00
0.00
PROT

ATOM
348
HH11
ARG
9
20.887
5.165
−2.988
1.00
0.00
PROT

ATOM
349
HH12
ARG
9
21.659
4.909
−4.517
1.00
0.00
PROT

ATOM
350
NH2
ARG
9
21.666
2.446
−4.413
1.00
0.00
PROT

ATOM
351
HH21
ARG
9
21.625
1.456
−4.286
1.00
0.00
PROT

ATOM
352
HH22
ARG
9
22.073
2.823
−5.244
1.00
0.00
PROT

ATOM
353
C
ARG
9
21.953
−2.861
−0.910
1.00
0.00
PROT

ATOM
354
O
ARG
9
22.263
−3.898
−1.463
1.00
0.00
PROT

ATOM
355
N
ASP
10
21.852
−2.798
0.392
1.00
0.00
PROT

ATOM
356
HN
ASP
10
21.586
−1.963
0.827
1.00
0.00
PROT

ATOM
357
CA
ASP
10
22.098
−4.015
1.213
1.00
0.00
PROT

ATOM
358
HA
ASP
10
22.660
−4.742
0.647
1.00
0.00
PROT

ATOM
359
CB
ASP
10
22.913
−3.524
2.410
1.00
0.00
PROT

ATOM
360
HB1
ASP
10
23.100
−2.466
2.308
1.00
0.00
PROT

ATOM
361
HB2
ASP
10
22.362
−3.707
3.321
1.00
0.00
PROT

ATOM
362
CG
ASP
10
24.246
−4.274
2.461
1.00
0.00
PROT

ATOM
363
OD1
ASP
10
24.263
−5.378
2.980
1.00
0.00
PROT

ATOM
364
OD2
ASP
10
25.227
−3.731
1.980
1.00
0.00
PROT

ATOM
365
C
ASP
10
20.761
−4.606
1.679
1.00
0.00
PROT

ATOM
366
O
ASP
10
19.868
−3.874
2.058
1.00
0.00
PROT

ATOM
367
N
PRO
11
20.653
−5.911
1.623
1.00
0.00
PROT

ATOM
368
CA
PRO
11
19.396
−6.574
2.044
1.00
0.00
PROT

ATOM
369
HA
PRO
11
18.593
−6.327
1.364
1.00
0.00
PROT

ATOM
370
CB
PRO
11
19.721
−8.067
1.970
1.00
0.00
PROT

ATOM
371
HB1
PRO
11
19.963
−8.446
2.952
1.00
0.00
PROT

ATOM
372
HB2
PRO
11
18.887
−8.611
1.554
1.00
0.00
PROT

ATOM
373
CG
PRO
11
20.910
−8.172
1.068
1.00
0.00
PROT

ATOM
374
HG1
PRO
11
20.586
−8.321
0.048
1.00
0.00
PROT

ATOM
375
HG2
PRO
11
21.537
−8.994
1.379
1.00
0.00
PROT

ATOM
376
CD
PRO
11
21.668
−6.877
1.180
1.00
0.00
PROT

ATOM
377
HD2
PRO
11
22.071
−6.589
0.221
1.00
0.00
PROT

ATOM
378
HD1
PRO
11
22.455
−6.961
1.914
1.00
0.00
PROT

ATOM
379
C
PRO
11
19.031
−6.172
3.474
1.00
0.00
PROT

ATOM
380
O
PRO
11
17.872
−6.048
3.816
1.00
0.00
PROT

ATOM
381
N
ASP
12
20.010
−5.958
4.309
1.00
0.00
PROT

ATOM
382
HN
ASP
12
20.939
−6.062
4.012
1.00
0.00
PROT

ATOM
383
CA
ASP
12
19.717
−5.560
5.714
1.00
0.00
PROT

ATOM
384
HA
ASP
12
18.879
−6.124
6.097
1.00
0.00
PROT

ATOM
385
CB
ASP
12
20.989
−5.900
6.492
1.00
0.00
PROT

ATOM
386
HB1
ASP
12
21.742
−5.151
6.296
1.00
0.00
PROT

ATOM
387
HB2
ASP
12
21.355
−6.867
6.180
1.00
0.00
PROT

ATOM
388
CG
ASP
12
20.679
−5.931
7.990
1.00
0.00
PROT

ATOM
389
OD1
ASP
12
20.111
−6.914
8.436
1.00
0.00
PROT

ATOM
390
OD2
ASP
12
21.014
−4.972
8.664
1.00
0.00
PROT

ATOM
391
C
ASP
12
19.430
−4.058
5.793
1.00
0.00
PROT

ATOM
392
O
ASP
12
18.729
−3.596
6.671
1.00
0.00
PROT

ATOM
393
N
GLN
13
19.969
−3.293
4.883
1.00
0.00
PROT

ATOM
394
HN
GLN
13
20.532
−3.685
4.184
1.00
0.00
PROT

ATOM
395
CA
GLN
13
19.730
−1.821
4.909
1.00
0.00
PROT

ATOM
396
HA
GLN
13
20.041
−1.407
5.857
1.00
0.00
PROT

ATOM
397
CB
GLN
13
20.592
−1.261
3.775
1.00
0.00
PROT

ATOM
398
HB1
GLN
13
20.701
−2.008
3.002
1.00
0.00
PROT

ATOM
399
HB2
GLN
13
20.116
−0.384
3.362
1.00
0.00
PROT

ATOM
400
CG
GLN
13
21.971
−0.882
4.319
1.00
0.00
PROT

ATOM
401
HG1
GLN
13
22.210
−1.510
5.164
1.00
0.00
PROT

ATOM
402
HG2
GLN
13
22.713
−1.018
3.547
1.00
0.00
PROT

ATOM
403
CD
GLN
13
21.958
0.583
4.760
1.00
0.00
PROT

ATOM
404
OE1
GLN
13
21.906
0.875
5.939
1.00
0.00
PROT

ATOM
405
NE2
GLN
13
22.002
1.525
3.857
1.00
0.00
PROT

ATOM
406
HE21
GLN
13
22.044
1.290
2.906
1.00
0.00
PROT

ATOM
407
HE22
GLN
13
21.994
2.466
4.130
1.00
0.00
PROT

ATOM
408
C
GLN
13
18.254
−1.514
4.651
1.00
0.00
PROT

ATOM
409
O
GLN
13
17.550
−1.029
5.514
1.00
0.00
PROT

ATOM
410
N
LEU
14
17.783
−1.786
3.465
1.00
0.00
PROT

ATOM
411
HN
LEU
14
18.371
−2.172
2.783
1.00
0.00
PROT

ATOM
412
CA
LEU
14
16.357
−1.500
3.143
1.00
0.00
PROT

ATOM
413
HA
LEU
14
16.161
−0.442
3.221
1.00
0.00
PROT

ATOM
414
CB
LEU
14
16.188
−1.963
1.696
1.00
0.00
PROT

ATOM
415
HB1
LEU
14
16.405
−3.017
1.628
1.00
0.00
PROT

ATOM
416
HB2
LEU
14
16.869
−1.413
1.064
1.00
0.00
PROT

ATOM
417
CG
LEU
14
14.751
−1.714
1.235
1.00
0.00
PROT

ATOM
418
HG
LEU
14
14.164
−1.382
2.068
1.00
0.00
PROT

ATOM
419
CD1
LEU
14
14.158
−3.011
0.684
1.00
0.00
PROT

ATOM
420
HD11
LEU
14
13.501
−2.782
−0.142
1.00
0.00
PROT

ATOM
421
HD12
LEU
14
13.598
−3.508
1.462
1.00
0.00
PROT

ATOM
422
HD13
LEU
14
14.954
−3.656
0.344
1.00
0.00
PROT

ATOM
423
CD2
LEU
14
14.731
−0.644
0.144
1.00
0.00
PROT

ATOM
424
HD21
LEU
14
15.677
−0.123
0.133
1.00
0.00
PROT

ATOM
425
HD22
LEU
14
13.936
0.057
0.345
1.00
0.00
PROT

ATOM
426
HD23
LEU
14
14.565
−1.112
−0.815
1.00
0.00
PROT

ATOM
427
C
LEU
14
15.427
−2.284
4.071
1.00
0.00
PROT

ATOM
428
O
LEU
14
14.312
−1.881
4.325
1.00
0.00
PROT

ATOM
429
N
TYR
15
15.879
−3.392
4.597
1.00
0.00
PROT

ATOM
430
HN
TYR
15
16.785
−3.700
4.386
1.00
0.00
PROT

ATOM
431
CA
TYR
15
15.012
−4.192
5.513
1.00
0.00
PROT

ATOM
432
HA
TYR
15
14.237
−4.696
4.953
1.00
0.00
PROT

ATOM
433
CB
TYR
15
15.954
−5.213
6.154
1.00
0.00
PROT

ATOM
434
HB1
TYR
15
16.750
−4.695
6.667
1.00
0.00
PROT

ATOM
435
HB2
TYR
15
16.372
−5.847
5.387
1.00
0.00
PROT

ATOM
436
CG
TYR
15
15.186
−6.059
7.140
1.00
0.00
PROT

ATOM
437
CD1
TYR
15
14.223
−6.967
6.683
1.00
0.00
PROT

ATOM
438
HD1
TYR
15
14.029
−7.060
5.625
1.00
0.00
PROT

ATOM
439
CD2
TYR
15
15.438
−5.938
8.512
1.00
0.00
PROT

ATOM
440
HD2
TYR
15
16.181
−5.238
8.865
1.00
0.00
PROT

ATOM
441
CE1
TYR
15
13.511
−7.752
7.598
1.00
0.00
PROT

ATOM
442
HE1
TYR
15
12.768
−8.452
7.245
1.00
0.00
PROT

ATOM
443
CE2
TYR
15
14.726
−6.723
9.427
1.00
0.00
PROT

ATOM
444
HE2
TYR
15
14.920
−6.629
10.485
1.00
0.00
PROT

ATOM
445
CZ
TYR
15
13.763
−7.631
8.970
1.00
0.00
PROT

ATOM
446
OH
TYR
15
13.061
−8.405
9.871
1.00
0.00
PROT

ATOM
447
HH
TYR
15
12.159
−8.487
9.553
1.00
0.00
PROT

ATOM
448
C
TYR
15
14.393
−3.290
6.584
1.00
0.00
PROT

ATOM
449
O
TYR
15
13.187
−3.156
6.678
1.00
0.00
PROT

ATOM
450
N
SER
16
15.206
−2.642
7.370
1.00
0.00
PROT

ATOM
451
HN
SER
16
16.176
−2.746
7.269
1.00
0.00
PROT

ATOM
452
CA
SER
16
14.655
−1.726
8.403
1.00
0.00
PROT

ATOM
453
HA
SER
16
13.931
−2.247
9.012
1.00
0.00
PROT

ATOM
454
CB
SER
16
15.864
−1.313
9.257
1.00
0.00
PROT

ATOM
455
HB1
SER
16
16.704
−1.949
9.017
1.00
0.00
PROT

ATOM
456
HB2
SER
16
15.614
−1.430
10.301
1.00
0.00
PROT

ATOM
457
OG
SER
16
16.214
0.042
9.005
1.00
0.00
PROT

ATOM
458
HG
SER
16
16.542
0.420
9.825
1.00
0.00
PROT

ATOM
459
C
SER
16
14.002
−0.521
7.720
1.00
0.00
PROT

ATOM
460
O
SER
16
13.078
0.073
8.239
1.00
0.00
PROT

ATOM
461
N
THR
17
14.458
−0.170
6.546
1.00
0.00
PROT

ATOM
462
HN
THR
17
15.192
−0.671
6.132
1.00
0.00
PROT

ATOM
463
CA
THR
17
13.830
0.970
5.826
1.00
0.00
PROT

ATOM
464
HA
THR
17
13.940
1.880
6.396
1.00
0.00
PROT

ATOM
465
CB
THR
17
14.579
1.082
4.499
1.00
0.00
PROT

ATOM
466
HB
THR
17
14.332
0.240
3.870
1.00
0.00
PROT

ATOM
467
OG1
THR
17
15.977
1.098
4.746
1.00
0.00
PROT

ATOM
468
HG1
THR
17
16.418
1.371
3.938
1.00
0.00
PROT

ATOM
469
CG2
THR
17
14.171
2.378
3.798
1.00
0.00
PROT

ATOM
470
HG21
THR
17
15.055
2.919
3.497
1.00
0.00
PROT

ATOM
471
HG22
THR
17
13.592
2.986
4.477
1.00
0.00
PROT

ATOM
472
HG23
THR
17
13.576
2.145
2.927
1.00
0.00
PROT

ATOM
473
C
THR
17
12.352
0.664
5.591
1.00
0.00
PROT

ATOM
474
O
THR
17
11.486
1.380
6.053
1.00
0.00
PROT

ATOM
475
N
LEU
18
12.048
−0.423
4.924
1.00
0.00
PROT

ATOM
476
HN
LEU
18
12.757
−1.009
4.587
1.00
0.00
PROT

ATOM
477
CA
LEU
18
10.614
−0.789
4.732
1.00
0.00
PROT

ATOM
478
HA
LEU
18
10.119
−0.070
4.100
1.00
0.00
PROT

ATOM
479
CB
LEU
18
10.611
−2.174
4.066
1.00
0.00
PROT

ATOM
480
HB1
LEU
18
10.953
−2.908
4.780
1.00
0.00
PROT

ATOM
481
HB2
LEU
18
9.603
−2.418
3.764
1.00
0.00
PROT

ATOM
482
CG
LEU
18
11.531
−2.205
2.830
1.00
0.00
PROT

ATOM
483
HG
LEU
18
12.555
−2.290
3.149
1.00
0.00
PROT

ATOM
484
CD1
LEU
18
11.171
−3.421
1.976
1.00
0.00
PROT

ATOM
485
HD11
LEU
18
10.097
−3.479
1.864
1.00
0.00
PROT

ATOM
486
HD12
LEU
18
11.530
−4.319
2.456
1.00
0.00
PROT

ATOM
487
HD13
LEU
18
11.628
−3.325
1.002
1.00
0.00
PROT

ATOM
488
CD2
LEU
18
11.366
−0.937
1.982
1.00
0.00
PROT

ATOM
489
HD21
LEU
18
10.333
−0.622
2.000
1.00
0.00
PROT

ATOM
490
HD22
LEU
18
11.662
−1.146
0.964
1.00
0.00
PROT

ATOM
491
HD23
LEU
18
11.990
−0.153
2.384
1.00
0.00
PROT

ATOM
492
C
LEU
18
9.938
−0.854
6.100
1.00
0.00
PROT

ATOM
493
O
LEU
18
8.806
−0.446
6.270
1.00
0.00
PROT

ATOM
494
N
LYS
19
10.655
−1.316
7.088
1.00
0.00
PROT

ATOM
495
HN
LYS
19
11.577
−1.613
6.930
1.00
0.00
PROT

ATOM
496
CA
LYS
19
10.091
−1.348
8.462
1.00
0.00
PROT

ATOM
497
HA
LYS
19
9.216
−1.978
8.502
1.00
0.00
PROT

ATOM
498
CB
LYS
19
11.213
−1.922
9.333
1.00
0.00
PROT

ATOM
499
HB1
LYS
19
11.757
−2.670
8.776
1.00
0.00
PROT

ATOM
500
HB2
LYS
19
11.886
−1.128
9.621
1.00
0.00
PROT

ATOM
501
CG
LYS
19
10.612
−2.557
10.589
1.00
0.00
PROT

ATOM
502
HG1
LYS
19
10.753
−1.893
11.429
1.00
0.00
PROT

ATOM
503
HG2
LYS
19
9.557
−2.727
10.437
1.00
0.00
PROT

ATOM
504
CD
LYS
19
11.310
−3.889
10.870
1.00
0.00
PROT

ATOM
505
HD1
LYS
19
11.239
−4.523
9.999
1.00
0.00
PROT

ATOM
506
HD2
LYS
19
10.834
−4.375
11.709
1.00
0.00
PROT

ATOM
507
CE
LYS
19
12.782
−3.633
11.198
1.00
0.00
PROT

ATOM
508
HE1
LYS
19
13.388
−3.736
10.310
1.00
0.00
PROT

ATOM
509
HE2
LYS
19
12.906
−2.649
11.627
1.00
0.00
PROT

ATOM
510
NZ
LYS
19
13.139
−4.681
12.195
1.00
0.00
PROT

ATOM
511
HZ1
LYS
19
12.968
−5.622
11.785
1.00
0.00
PROT

ATOM
512
HZ2
LYS
19
12.555
−4.563
13.047
1.00
0.00
PROT

ATOM
513
HZ3
LYS
19
14.144
−4.591
12.448
1.00
0.00
PROT

ATOM
514
C
LYS
19
9.754
0.077
8.900
1.00
0.00
PROT

ATOM
515
O
LYS
19
8.767
0.319
9.563
1.00
0.00
PROT

ATOM
516
N
SER
20
10.562
1.027
8.509
1.00
0.00
PROT

ATOM
517
HN
SER
20
11.350
0.806
7.969
1.00
0.00
PROT

ATOM
518
CA
SER
20
10.297
2.443
8.889
1.00
0.00
PROT

ATOM
519
HA
SER
20
10.110
2.518
9.950
1.00
0.00
PROT

ATOM
520
CB
SER
20
11.579
3.192
8.521
1.00
0.00
PROT

ATOM
521
HB1
SER
20
12.433
2.559
8.710
1.00
0.00
PROT

ATOM
522
HB2
SER
20
11.552
3.458
7.475
1.00
0.00
PROT

ATOM
523
OG
SBR
20
11.681
4.371
9.306
1.00
0.00
PROT

ATOM
524
HG
SER
20
11.878
4.111
10.209
1.00
0.00
PROT

ATOM
525
C
SER
20
9.110
2.996
8.098
1.00
0.00
PROT

ATOM
526
O
SER
20
8.119
3.413
8.663
1.00
0.00
PROT

ATOM
527
N
ILE
21
9.196
2.999
6.791
1.00
0.00
PROT

ATOM
528
HN
ILE
21
10.002
2.654
6.353
1.00
0.00
PROT

ATOM
529
CA
ILE
21
8.063
3.519
5.967
1.00
0.00
PROT

ATOM
530
HA
ILE
21
8.013
4.596
6.032
1.00
0.00
PROT

ATOM
531
CB
ILE
21
8.387
3.085
4.531
1.00
0.00
PROT

ATOM
532
HB
ILE
21
8.538
2.016
4.506
1.00
0.00
PROT

ATOM
533
CG1
ILE
21
9.660
3.792
4.046
1.00
0.00
PROT

ATOM
534
HG11
ILE
21
9.460
4.309
3.117
1.00
0.00
PROT

ATOM
535
HG12
ILE
21
9.986
4.501
4.792
1.00
0.00
PROT

ATOM
536
CG2
ILE
21
7.225
3.453
3.608
1.00
0.00
PROT

ATOM
537
H521
ILE
21
7.601
3.616
2.609
1.00
0.00
PROT

ATOM
538
HG22
ILE
21
6.752
4.355
3.967
1.00
0.00
PROT

ATOM
539
HG23
ILE
21
6.506
2.648
3.597
1.00
0.00
PROT

ATOM
540
CD1
ILE
21
10.757
2.758
3.810
1.00
0.00
PROT

ATOM
541
HD11
ILE
21
11.659
3.070
4.313
1.00
0.00
PROT

ATOM
542
HD12
ILE
21
10.945
2.671
2.751
1.00
0.00
PROT

ATOM
543
HD13
ILE
21
10.438
1.806
4.198
1.00
0.00
PROT

ATOM
544
C
ILE
21
6.741
2.892
6.432
1.00
0.00
PROT

ATOM
545
O
ILE
21
5.750
3.570
6.625
1.00
0.00
PROT

ATOM
546
N
LEU
22
6.733
1.604
6.645
1.00
0.00
PROT

ATOM
547
HN
LEU
22
7.547
1.080
6.492
1.00
0.00
PROT

ATOM
548
CA
LEU
22
5.491
0.926
7.114
1.00
0.00
PROT

ATOM
549
HA
LEU
22
4.666
1.150
6.456
1.00
0.00
PROT

ATOM
550
CB
LEU
22
5.825
−0.563
7.057
1.00
0.00
PROT

ATOM
551
HB1
LEU
22
6.531
−0.737
6.263
1.00
0.00
PROT

ATOM
552
HB2
LEU
22
6.259
−0.868
7.998
1.00
0.00
PROT

ATOM
553
CG
LEU
22
4.547
−1.368
6.800
1.00
0.00
PROT

ATOM
554
HG
LEU
22
3.685
−0.745
6.989
1.00
0.00
PROT

ATOM
555
CD1
LEU
22
4.513
−2.582
7.731
1.00
0.00
PROT

ATOM
556
HD11
LEU
22
3.588
−2.581
8.289
1.00
0.00
PROT

ATOM
557
HD12
LEU
22
5.346
−2.534
8.416
1.00
0.00
PROT

ATOM
558
HD13
LEU
22
4.580
−3.486
7.145
1.00
0.00
PROT

ATOM
559
CD2
LEU
22
4.523
−1.842
5.345
1.00
0.00
PROT

ATOM
560
HD21
LEU
22
4.490
−0.986
4.687
1.00
0.00
PROT

ATOM
561
HD22
LEU
22
3.649
−2.457
5.180
1.00
0.00
PROT

ATOM
562
HD23
LEU
22
5.412
−2.420
5.139
1.00
0.00
PROT

ATOM
563
C
LEU
22
5.168
1.333
8.553
1.00
0.00
PROT

ATOM
564
O
LEU
22
4.035
1.607
8.897
1.00
0.00
PROT

ATOM
565
N
GLN
23
6.161
1.350
9.398
1.00
0.00
PROT

ATOM
566
HN
GLN
23
7.058
1.116
9.092
1.00
0.00
PROT

ATOM
567
CA
GLN
23
5.936
1.713
10.826
1.00
0.00
PROT

ATOM
568
HA
GLN
23
5.392
0.927
11.330
1.00
0.00
PROT

ATOM
569
CB
GLN
23
7.344
1.846
11.416
1.00
0.00
PROT

ATOM
570
HB1
GLN
23
7.819
0.877
11.432
1.00
0.00
PROT

ATOM
571
HB2
GLN
23
7.927
2.522
10.808
1.00
0.00
PROT

ATOM
572
CG
GLN
23
7.263
2.388
12.845
1.00
0.00
PROT

ATOM
573
HG1
GLN
23
6.810
3.369
12.833
1.00
0.00
PROT

ATOM
574
HG2
GLN
23
8.257
2.455
13.258
1.00
0.00
PROT

ATOM
575
CD
GLN
23
6.417
1.444
13.702
1.00
0.00
PROT

ATOM
576
OE1
GLN
23
5.329
1.793
14.116
1.00
0.00
PROT

ATOM
577
NE2
GLN
23
6.873
0.255
13.986
1.00
0.00
PROT

ATOM
578
HE21
GLN
23
6.338
−0.356
14.534
1.00
0.00
PROT

ATOM
579
HE22
GLN
23
7.750
−0.026
13.651
1.00
0.00
PROT

ATOM
580
C
GLN
23
5.178
3.036
10.931
1.00
0.00
PROT

ATOM
581
O
GLN
23
4.301
3.191
11.759
1.00
0.00
PROT

ATOM
582
N
GLN
24
5.525
4.003
10.129
1.00
0.00
PROT

ATOM
583
HN
GLN
24
6.221
3.856
9.449
1.00
0.00
PROT

ATOM
584
CA
GLN
24
4.792
5.300
10.191
1.00
0.00
PROT

ATOM
585
HA
GLN
24
4.598
5.570
11.217
1.00
0.00
PROT

ATOM
586
CB
GLN
24
5.719
6.328
9.539
1.00
0.00
PROT

ATOM
587
HB1
GLN
24
5.218
7.283
9.491
1.00
0.00
PROT

ATOM
588
HB2
GLN
24
6.619
6.424
10.129
1.00
0.00
PROT

ATOM
589
CG
GLN
24
6.083
5.875
8.128
1.00
0.00
PROT

ATOM
590
HG1
GLN
24
6.867
5.135
8.176
1.00
0.00
PROT

ATOM
591
HG2
GLN
24
5.215
5.451
7.649
1.00
0.00
PROT

ATOM
592
CD
GLN
24
6.572
7.073
7.325
1.00
0.00
PROT

ATOM
593
OE1
GLN
24
7.084
8.025
7.880
1.00
0.00
PROT

ATOM
594
NE2
GLN
24
6.437
7.069
6.033
1.00
0.00
PROT

ATOM
595
HE21
GLN
24
6.029
6.299
5.583
1.00
0.00
PROT

ATOM
596
HE22
GLN
24
6.754
7.828
5.512
1.00
0.00
PROT

ATOM
597
C
GLN
24
3.480
5.174
9.420
1.00
0.00
PROT

ATOM
598
O
GLN
24
2.503
5.835
9.713
1.00
0.00
PROT

ATOM
599
N
VAL
25
3.443
4.288
8.465
1.00
0.00
PROT

ATOM
600
HN
VAL
25
4.242
3.756
8.264
1.00
0.00
PROT

ATOM
601
CA
VAL
25
2.194
4.061
7.693
1.00
0.00
PROT

ATOM
602
HA
VAL
25
1.782
4.996
7.354
1.00
0.00
PROT

ATOM
603
CB
VAL
25
2.660
3.206
6.502
1.00
0.00
PROT

ATOM
604
HB
VAL
25
3.410
2.515
6.845
1.00
0.00
PROT

ATOM
605
CG1
VAL
25
3.269
4.118
5.434
1.00
0.00
PROT

ATOM
606
HG11
VAL
25
2.533
4.320
4.671
1.00
0.00
PROT

ATOM
607
HG12
VAL
25
4.123
3.629
4.989
1.00
0.00
PROT

ATOM
608
HG13
VAL
25
3.581
5.046
5.888
1.00
0.00
PROT

ATOM
609
CG2
VAL
25
1.497
2.420
5.892
1.00
0.00
PROT

ATOM
610
HG21
VAL
25
0.575
2.960
6.044
1.00
0.00
PROT

ATOM
611
HG22
VAL
25
1.433
1.454
6.371
1.00
0.00
PROT

ATOM
612
HG23
VAL
25
1.669
2.286
4.834
1.00
0.00
PROT

ATOM
613
C
VAL
25
1.186
3.314
8.576
1.00
0.00
PROT

ATOM
614
O
VAL
25
−0.010
3.485
8.456
1.00
0.00
PROT

ATOM
615
N
LYS
26
1.671
2.491
9.462
1.00
0.00
PROT

ATOM
616
HN
LYS
26
2.640
2.373
9.541
1.00
0.00
PROT

ATOM
617
CA
LYS
26
0.756
1.736
10.361
1.00
0.00
PROT

ATOM
618
HA
LYS
26
−0.017
1.246
9.788
1.00
0.00
PROT

ATOM
619
CB
LYS
26
1.655
0.705
11.040
1.00
0.00
PROT

ATOM
620
HB1
LYS
26
2.377
0.337
10.326
1.00
0.00
PROT

ATOM
621
HB2
LYS
26
2.171
1.167
11.868
1.00
0.00
PROT

ATOM
622
CG
LYS
26
0.804
−0.457
11.555
1.00
0.00
PROT

ATOM
623
HG1
LYS
26
−0.139
−0.474
11.029
1.00
0.00
PROT

ATOM
624
HG2
LYS
26
1.326
−1.388
11.388
1.00
0.00
PROT

ATOM
625
CD
LYS
26
0.549
−0.277
13.052
1.00
0.00
PROT

ATOM
626
HD1
LYS
26
0.242
0.740
13.245
1.00
0.00
PROT

ATOM
627
HD2
LYS
26
1.456
−0.488
13.600
1.00
0.00
PROT

ATOM
628
CE
LYS
26
−0.553
−1.237
13.501
1.00
0.00
PROT

ATOM
629
HE1
LYS
26
−0.614
−2.080
12.828
1.00
0.00
PROT

ATOM
630
HE2
LYS
26
−1.502
−0.724
13.549
1.00
0.00
PROT

ATOM
631
NZ
LYS
26
−0.137
−1.687
14.859
1.00
0.00
PROT

ATOM
632
HZ1
LYS
26
0.022
−0.858
15.466
1.00
0.00
PROT

ATOM
633
HZ2
LYS
26
0.742
−2.238
14.787
1.00
0.00
PROT

ATOM
634
HZ3
LYS
26
−0.885
−2.280
15.272
1.00
0.00
PROT

ATOM
635
C
LYS
26
0.143
2.676
11.398
1.00
0.00
PROT

ATOM
636
O
LYS
26
−0.940
2.446
11.898
1.00
0.00
PROT

ATOM
637
N
SER
27
0.830
3.736
11.724
1.00
0.00
PROT

ATOM
638
HN
SER
27
1.697
3.907
11.301
1.00
0.00
PROT

ATOM
639
CA
SER
27
0.283
4.701
12.717
1.00
0.00
PROT

ATOM
640
HA
SER
27
−0.464
4.223
13.332
1.00
0.00
PROT

ATOM
641
CB
SER
27
1.489
5.110
13.566
1.00
0.00
PROT

ATOM
642
HB1
SER
27
1.963
4.226
13.966
1.00
0.00
PROT

ATOM
643
HB2
SER
27
1.160
5.741
14.378
1.00
0.00
PROT

ATOM
644
OG
SER
27
2.417
5.821
12.760
1.00
0.00
PROT

ATOM
645
HG
SER
27
2.946
5.180
12.280
1.00
0.00
PROT

ATOM
646
C
SER
27
−0.311
5.923
12.007
1.00
0.00
PROT

ATOM
647
O
SER
27
−0.670
6.900
12.634
1.00
0.00
PROT

ATOM
648
N
HIS
28
−0.424
5.878
10.704
1.00
0.00
PROT

ATOM
649
HN
HIS
28
−0.133
5.083
10.211
1.00
0.00
PROT

ATOM
650
CA
HIS
28
−1.000
7.037
9.966
1.00
0.00
PROT

ATOM
651
HA
HIS
28
−0.455
7.939
10.199
1.00
0.00
PROT

ATOM
652
CB
HIS
28
−0.834
6.681
8.487
1.00
0.00
PROT

ATOM
653
HB1
HIS
28
−1.806
6.617
8.022
1.00
0.00
PROT

ATOM
654
HB2
HIS
28
−0.331
5.730
8.398
1.00
0.00
PROT

ATOM
655
CG
HIS
28
−0.019
7.744
7.804
1.00
0.00
PROT

ATOM
656
ND1
HIS
28
−0.567
8.954
7.408
1.00
0.00
PROT

ATOM
657
HD1
HIS
28
−1.499
9.233
7.523
1.00
0.00
PROT

ATOM
658
CD2
HIS
28
1.304
7.795
7.443
1.00
0.00
PROT

ATOM
659
HD2
HIS
28
2.025
7.008
7.608
1.00
0.00
PROT

ATOM
660
CE1
HIS
28
0.415
9.675
6.836
1.00
0.00
PROT

ATOM
661
HE1
HIS
28
0.280
10.666
6.430
1.00
0.00
PROT

ATOM
662
NE2
HIS
28
1.576
9.015
6.831
1.00
0.00
PROT

ATOM
663
C
HIS
28
−2.481
7.202
10.310
1.00
0.00
PROT

ATOM
664
O
HIS
28
−3.165
6.249
10.625
1.00
0.00
PROT

ATOM
665
N
GLN
29
−2.981
8.407
10.260
1.00
0.00
PROT

ATOM
666
HN
GLN
29
−2.412
9.162
10.004
1.00
0.00
PROT

ATOM
667
CA
GLN
29
−4.418
8.632
10.585
1.00
0.00
PROT

ATOM
668
HA
GLN
29
−4.700
8.058
11.444
1.00
0.00
PROT

ATOM
669
CB
GLN
29
−4.516
10.116
10.905
1.00
0.00
PROT

ATOM
670
HB1
GLN
29
−4.258
10.678
10.031
1.00
0.00
PROT

ATOM
671
HB2
GLN
29
−3.835
10.360
11.707
1.00
0.00
PROT

ATOM
672
CG
GLN
29
−5.947
10.453
11.328
1.00
0.00
PROT

ATOM
673
HG1
GLN
29
−6.597
10.408
10.466
1.00
0.00
PROT

ATOM
674
HG2
GLN
29
−6.281
9.741
12.068
1.00
0.00
PROT

ATOM
675
CD
GLN
29
−5.985
11.862
11.922
1.00
0.00
PROT

ATOM
676
OE1
GLN
29
−5.747
12.044
13.099
1.00
0.00
PROT

ATOM
677
NE2
GLN
29
−6.276
12.874
11.151
1.00
0.00
PROT

ATOM
678
HE21
GLN
29
−6.303
13.780
11.521
1.00
0.00
PROT

ATOM
679
HE22
GLN
29
−6.468
12.726
10.201
1.00
0.00
PROT

ATOM
680
C
GLN
29
−5.316
8.283
9.391
1.00
0.00
PROT

ATOM
681
O
GLN
29
−6.525
8.377
9.471
1.00
0.00
PROT

ATOM
682
N
SER
30
−4.744
7.887
8.283
1.00
0.00
PROT

ATOM
683
HN
SER
30
−3.769
7.818
8.229
1.00
0.00
PROT

ATOM
684
CA
SER
30
−5.582
7.546
7.098
1.00
0.00
PROT

ATOM
685
HA
SER
30
−6.629
7.642
7.341
1.00
0.00
PROT

ATOM
686
CB
SER
30
−5.189
8.573
6.034
1.00
0.00
PROT

ATOM
687
HB1
SER
30
−4.403
9.206
6.415
1.00
0.00
PROT

ATOM
688
HB2
SER
30
−4.839
8.058
5.150
1.00
0.00
PROT

ATOM
689
OG
SER
30
−6.318
9.367
5.703
1.00
0.00
PROT

ATOM
690
HG
SER
30
−6.360
10.096
6.327
1.00
0.00
PROT

ATOM
691
C
SER
30
−5.278
6.129
6.597
1.00
0.00
PROT

ATOM
692
O
SER
30
−5.795
5.704
5.587
1.00
0.00
PROT

ATOM
693
N
ALA
31
−4.419
5.409
7.268
1.00
0.00
PROT

ATOM
694
HN
ALA
31
−4.003
5.767
8.078
1.00
0.00
PROT

ATOM
695
CA
ALA
31
−4.086
4.026
6.813
1.00
0.00
PROT

ATOM
696
HA
ALA
31
−3.997
4.001
5.738
1.00
0.00
PROT

ATOM
697
CB
ALA
31
−2.732
3.731
7.461
1.00
0.00
PROT

ATOM
698
HB1
ALA
31
−2.845
3.702
8.534
1.00
0.00
PROT

ATOM
699
HB2
ALA
31
−2.031
4.508
7.191
1.00
0.00
PROT

ATOM
700
HB3
ALA
31
−2.366
2.778
7.110
1.00
0.00
PROT

ATOM
701
C
ALA
31
−5.139
3.010
7.282
1.00
0.00
PROT

ATOM
702
O
ALA
31
−4.954
1.816
7.157
1.00
0.00
PROT

ATOM
703
M
TRP
32
−6.237
3.467
7.823
1.00
0.00
PROT

ATOM
704
HN
TRP
32
−6.367
4.430
7.927
1.00
0.00
PROT

ATOM
705
CA
TRP
32
−7.281
2.522
8.315
1.00
0.00
PROT

ATOM
706
HA
TRP
32
−6.883
1.906
9.106
1.00
0.00
PROT

ATOM
707
CB
TRP
32
−8.393
3.414
8.864
1.00
0.00
PROT

ATOM
708
HB1
TRP
32
−8.727
4.078
8.086
1.00
0.00
PROT

ATOM
709
HB2
TRP
32
−9.220
2.795
9.180
1.00
0.00
PROT

ATOM
710
CG
TRP
32
−7.912
4.226
10.032
1.00
0.00
PROT

ATOM
711
CD1
TRP
32
−8.668
5.149
10.671
1.00
0.00
PROT

ATOM
712
HD1
TRP
32
−9.687
5.406
10.420
1.00
0.00
PROT

ATOM
713
CD2
TRP
32
−6.614
4.221
10.716
1.00
0.00
PROT

ATOM
714
NE1
TRP
32
−7.930
5.710
11.694
1.00
0.00
PROT

ATOM
715
HE1
TRP
32
−8.250
6.405
12.306
1.00
0.00
PROT

ATOM
716
CE2
TRP
32
−6.661
5.175
11.765
1.00
0.00
PROT

ATOM
717
CE3
TRP
32
−5.413
3.499
10.541
1.00
0.00
PROT

ATOM
718
HE3
TRP
32
−5.332
2.764
9.759
1.00
0.00
PROT

ATOM
719
CZ2
TRP
32
−5.568
5.403
12.601
1.00
0.00
PROT

ATOM
720
HE2
TRP
32
−5.633
6.136
13.392
1.00
0.00
PROT

ATOM
721
CZ3
TRP
32
−4.313
3.730
11.384
1.00
0.00
PROT

ATOM
722
HZ3
TRP
32
−3.400
3.171
11.240
1.00
0.00
PROT

ATOM
723
CH2
TRP
32
−4.391
4.679
12.411
1.00
0.00
PROT

ATOM
724
HH2
TRP
32
−3.541
4.850
13.055
1.00
0.00
PROT

ATOM
725
C
TRP
32
−7.842
1.626
7.192
1.00
0.00
PROT

ATOM
726
O
TRP
32
−8.016
0.443
7.402
1.00
0.00
PROT

ATOM
727
N
PRO
33
−8.174
2.206
6.054
1.00
0.00
PROT

ATOM
728
CA
PRO
33
−8.773
1.397
4.960
1.00
0.00
PROT

ATOM
729
HA
PRO
33
−9.657
0.885
5.310
1.00
0.00
PROT

ATOM
730
CB
PRO
33
−9.143
2.430
3.895
1.00
0.00
PROT

ATOM
731
HB1
PRO
33
−8.932
2.044
2.909
1.00
0.00
PROT

ATOM
732
HB2
PRO
33
−10.186
2.700
3.979
1.00
0.00
PROT

ATOM
733
CG
PRO
33
−8.277
3.611
4.185
1.00
0.00
PROT

ATOM
734
HG1
PRO
33
−7.336
3.510
3.665
1.00
0.00
PROT

ATOM
735
HG2
PRO
33
−8.772
4.520
3.876
1.00
0.00
PROT

ATOM
736
CD
PRO
33
−8.041
3.622
5.672
1.00
0.00
PROT

ATOM
737
HD2
PRO
33
−7.054
3.984
5.879
1.00
0.00
PROT

ATOM
738
HD1
PRO
33
−8.785
4.225
6.169
1.00
0.00
PROT

ATOM
739
C
PRO
33
−7.765
0.399
4.396
1.00
0.00
PROT

ATOM
740
O
PRO
33
−8.130
−0.579
3.773
1.00
0.00
PROT

ATOM
741
N
PHE
34
−6.500
0.636
4.593
1.00
0.00
PROT

ATOM
742
HN
PHE
34
−6.219
1.436
5.087
1.00
0.00
PROT

ATOM
743
CA
PHE
34
−5.482
−0.297
4.035
1.00
0.00
PROT

ATOM
744
HA
PHE
34
−5.881
−0.806
3.173
1.00
0.00
PROT

ATOM
745
CB
PHE
34
−4.299
0.590
3.620
1.00
0.00
PROT

ATOM
746
HB1
PHE
34
−3.605
0.003
3.038
1.00
0.00
PROT

ATOM
747
HB2
PHE
34
−3.800
0.950
4.508
1.00
0.00
PROT

ATOM
748
CG
PHE
34
−4.762
1.780
2.792
1.00
0.00
PROT

ATOM
749
CD1
PHE
34
−3.932
2.898
2.691
1.00
0.00
PROT

ATOM
750
HD1
PHE
34
−2.979
2.902
3.193
1.00
0.00
PROT

ATOM
751
CD2
PHE
34
−5.997
1.767
2.122
1.00
0.00
PROT

ATOM
752
HD2
PHE
34
−6.645
0.908
2.202
1.00
0.00
PROT

ATOM
753
CE1
PHE
34
−4.330
4.006
1.935
1.00
0.00
PROT

ATOM
754
HE1
PHE
34
−3.684
4.869
1.860
1.00
0.00
PROT

ATOM
755
CE2
PHE
34
−6.400
2.879
1.373
1.00
0.00
PROT

ATOM
756
HE2
PHE
34
−7.352
2.872
0.865
1.00
0.00
PROT

ATOM
757
CZ
PHE
34
−5.564
3.997
1.277
1.00
0.00
PROT

ATOM
758
HZ
PHE
34
−5.871
4.852
0.695
1.00
0.00
PROT

ATOM
759
C
PHE
34
−5.034
−1.314
5.090
1.00
0.00
PROT

ATOM
760
O
PHE
34
−4.145
−2.105
4.855
1.00
0.00
PROT

ATOM
761
N
MET
35
−5.639
−1.309
6.247
1.00
0.00
PROT

ATOM
762
HN
MET
35
−6.354
−0.665
6.429
1.00
0.00
PROT

ATOM
763
CA
MET
35
−5.227
−2.279
7.296
1.00
0.00
PROT

ATOM
764
HA
MET
35
−4.192
−2.555
7.165
1.00
0.00
PROT

ATOM
765
CB
MET
35
−5.411
−1.530
8.614
1.00
0.00
PROT

ATOM
766
HB1
MET
35
−5.537
−2.243
9.413
1.00
0.00
PROT

ATOM
767
HB2
MET
35
−6.285
−0.894
8.552
1.00
0.00
PROT

ATOM
768
CG
MET
35
−4.174
−0.672
8.886
1.00
0.00
PROT

ATOM
769
HG1
MET
35
−4.409
0.366
8.703
1.00
0.00
PROT

ATOM
770
HG2
MET
35
−3.372
−0.980
8.231
1.00
0.00
PROT

ATOM
771
SD
MET
35
−3.659
−0.879
10.608
1.00
0.00
PROT

ATOM
772
CE
MET
35
−3.019
0.795
10.851
1.00
0.00
PROT

ATOM
773
HE1
MET
35
−1.991
0.838
10.523
1.00
0.00
PROT

ATOM
774
HE2
MET
35
−3.075
1.054
11.898
1.00
0.00
PROT

ATOM
775
HE3
MET
35
−3.610
1.492
10.275
1.00
0.00
PROT

ATOM
776
C
MET
35
−6.115
−3.525
7.256
1.00
0.00
PROT

ATOM
777
O
MET
35
−6.232
−4.248
8.224
1.00
0.00
PROT

ATOM
778
N
GLU
36
−6.730
−3.787
6.136
1.00
0.00
PROT

ATOM
779
HN
GLU
36
−6.614
−3.195
5.364
1.00
0.00
PROT

ATOM
780
CA
GLU
36
−7.593
−4.997
6.021
1.00
0.00
PROT

ATOM
781
HA
GLU
36
−7.233
−5.781
6.670
1.00
0.00
PROT

ATOM
782
CB
GLU
36
−8.982
−4.532
6.464
1.00
0.00
PROT

ATOM
783
HB1
GLU
36
−9.735
−5.135
5.977
1.00
0.00
PROT

ATOM
784
HB2
GLU
36
−9.119
−3.497
6.190
1.00
0.00
PROT

ATOM
785
CG
GLU
36
−9.113
−4.680
7.981
1.00
0.00
PROT

ATOM
786
HG1
GLU
36
−8.466
−3.966
8.470
1.00
0.00
PROT

ATOM
787
HG2
GLU
36
−8.830
−5.681
8.272
1.00
0.00
PROT

ATOM
788
CD
GLU
36
−10.564
−4.419
8.395
1.00
0.00
PROT

ATOM
789
OE1
GLU
36
−11.272
−3.785
7.630
1.00
0.00
PROT

ATOM
790
OE2
GLU
36
−10.942
−4.859
9.468
1.00
0.00
PROT

ATOM
791
C
GLU
36
−7.629
−5.475
4.566
1.00
0.00
PROT

ATOM
792
O
GLU
36
−7.127
−4.802
3.688
1.00
0.00
PROT

ATOM
793
N
PRO
37
−8.213
−6.628
4.349
1.00
0.00
PROT

ATOM
794
CA
PRO
37
−8.314
−7.163
2.972
1.00
0.00
PROT

ATOM
795
HA
PRO
37
−7.336
−7.428
2.595
1.00
0.00
PROT

ATOM
796
CB
PRO
37
−9.191
−8.406
3.119
1.00
0.00
PROT

ATOM
797
HB1
PRO
37
−10.200
−8.185
2.833
1.00
0.00
PROT

ATOM
798
HB2
PRO
37
−8.800
−9.214
2.519
1.00
0.00
PROT

ATOM
799
CG
PRO
37
−9.144
−8.766
4.566
1.00
0.00
PROT

ATOM
800
HG1
PRO
37
−10.095
−9.175
4.874
1.00
0.00
PROT

ATOM
801
HG2
PRO
37
−8.365
−9.486
4.732
1.00
0.00
PROT

ATOM
802
CD
PRO
37
−8.855
−7.505
5.336
1.00
0.00
PROT

ATOM
803
HD2
PRO
37
−9.773
−7.063
5.695
1.00
0.00
PROT

ATOM
804
HD1
PRO
37
−8.184
−7.706
6.157
1.00
0.00
PROT

ATOM
805
C
PRO
37
−8.984
−6.131
2.062
1.00
0.00
PROT

ATOM
806
O
PRO
37
−9.281
−5.030
2.483
1.00
0.00
PROT

ATOM
807
N
VAL
38
−9.233
−6.467
0.825
1.00
0.00
PROT

ATOM
808
HN
VAL
38
−8.979
−7.353
0.493
1.00
0.00
PROT

ATOM
809
CA
VAL
38
−9.871
−5.470
−0.087
1.00
0.00
PROT

ATOM
810
HA
VAL
38
−9.183
−4.656
−0.263
1.00
0.00
PROT

ATOM
811
CB
VAL
38
−10.158
−6.192
−1.422
1.00
0.00
PROT

ATOM
812
HB
VAL
38
−10.891
−5.625
−1.977
1.00
0.00
PROT

ATOM
813
CG1
VAL
38
−8.866
−6.273
−2.237
1.00
0.00
PROT

ATOM
814
HG11
VAL
38
−8.966
−7.036
−2.995
1.00
0.00
PROT

ATOM
815
HG12
VAL
38
−8.043
−6.520
−1.583
1.00
0.00
PROT

ATOM
816
HG13
VAL
38
−8.678
−5.319
−2.708
1.00
0.00
PROT

ATOM
817
CG2
VAL
38
−10.695
−7.609
−1.190
1.00
0.00
PROT

ATOM
818
HG21
VAL
38
−10.845
−7.770
−0.134
1.00
0.00
PROT

ATOM
819
HG22
VAL
38
−9.985
−8.330
−1.566
1.00
0.00
PROT

ATOM
820
HG23
VAL
38
−11.639
−7.726
−1.710
1.00
0.00
PROT

ATOM
821
C
VAL
38
−11.162
−4.918
0.535
1.00
0.00
PROT

ATOM
822
O
VAL
38
−11.590
−3.828
0.210
1.00
0.00
PROT

ATOM
823
N
LYS
39
−11.757
−5.619
1.469
1.00
0.00
PROT

ATOM
824
HN
LYS
39
−11.411
−6.498
1.724
1.00
0.00
PROT

ATOM
825
CA
LYS
39
−13.000
−5.090
2.103
1.00
0.00
PROT

ATOM
826
HA
LYS
39
−12.863
−4.057
2.369
1.00
0.00
PROT

ATOM
827
CB
LYS
39
−14.075
−5.196
1.016
1.00
0.00
PROT

ATOM
828
HB1
LYS
39
−14.955
−4.655
1.332
1.00
0.00
PROT

ATOM
829
HB2
LYS
39
−13.700
−4.763
0.101
1.00
0.00
PROT

ATOM
830
CG
LYS
39
−14.447
−6.659
0.766
1.00
0.00
PROT

ATOM
831
HG1
LYS
39
−14.628
−7.151
1.697
1.00
0.00
PROT

ATOM
832
HG2
LYS
39
−15.335
−6.693
0.179
1.00
0.00
PROT

ATOM
833
CD
LYS
39
−13.310
−7.365
0.025
1.00
0.00
PROT

ATOM
834
HD1
LYS
39
−12.552
−7.659
0.726
1.00
0.00
PROT

ATOM
835
HD2
LYS
39
−12.882
−6.684
−0.693
1.00
0.00
PROT

ATOM
836
CE
LYS
39
−13.828
−8.613
−0.695
1.00
0.00
PROT

ATOM
837
HE1
LYS
39
−14.523
−8.339
−1.469
1.00
0.00
PROT

ATOM
838
HE2
LYS
39
−13.003
−9.169
−1.115
1.00
0.00
PROT

ATOM
839
NZ
LYS
39
−14.507
−9.419
0.361
1.00
0.00
PROT

ATOM
840
HZ1
LYS
39
−13.849
−9.581
1.149
1.00
0.00
PROT

ATOM
841
HZ2
LYS
39
−14.800
−10.334
−0.038
1.00
0.00
PROT

ATOM
842
HZ3
LYS
39
−15.344
−8.909
0.707
1.00
0.00
PROT

ATOM
843
C
LYS
39
−13.390
−5.900
3.351
1.00
0.00
PROT

ATOM
844
O
LYS
39
−13.908
−5.363
4.310
1.00
0.00
PROT

ATOM
845
N
ARG
40
−13.151
−7.185
3.347
1.00
0.00
PROT

ATOM
846
HN
ARG
40
−12.772
−7.606
2.556
1.00
0.00
PROT

ATOM
847
CA
ARG
40
−13.565
−8.028
4.500
1.00
0.00
PROT

ATOM
848
HA
ARG
40
−13.332
−9.066
4.312
1.00
0.00
PROT

ATOM
849
CB
ARG
40
−12.758
−7.508
5.693
1.00
0.00
PROT

ATOM
850
HB1
ARG
40
−13.260
−6.653
6.122
1.00
0.00
PROT

ATOM
851
HB2
ARG
40
−11.772
−7.217
5.361
1.00
0.00
PROT

ATOM
852
CG
ARG
40
−12.637
−8.611
6.747
1.00
0.00
PROT

ATOM
853
HG1
ARG
40
−13.019
−9.537
6.343
1.00
0.00
PROT

ATOM
854
HG2
ARG
40
−11.600
−8.737
7.018
1.00
0.00
PROT

ATOM
855
CD
ARG
40
−13.445
−8.223
7.986
1.00
0.00
PROT

ATOM
856
HD1
ARG
40
−14.028
−9.063
8.333
1.00
0.00
PROT

ATOM
857
HD2
ARG
40
−14.088
−7.382
7.769
1.00
0.00
PROT

ATOM
858
NE
ARG
40
−12.422
−7.845
9.006
1.00
0.00
PROT

ATOM
859
HE
ARG
40
−11.471
−7.888
8.775
1.00
0.00
PROT

ATOM
860
CZ
ARG
40
−12.780
−7.455
10.208
1.00
0.00
PROT

ATOM
861
NH1
ARG
40
−14.044
−7.386
10.547
1.00
0.00
PROT

ATOM
862
HH11
ARG
40
−14.758
−7.631
9.893
1.00
0.00
PROT

ATOM
863
HH12
ARG
40
−14.296
−7.087
11.468
1.00
0.00
PROT

ATOM
864
NH2
ARG
40
−11.863
−7.131
11.077
1.00
0.00
PROT

ATOM
865
HH21
ARG
40
−12.127
−6.833
11.994
1.00
0.00
PROT

ATOM
866
HH22
ARG
40
−10.896
−7.180
10.826
1.00
0.00
PROT

ATOM
867
C
ARG
40
−15.063
−7.853
4.746
1.00
0.00
PROT

ATOM
868
O
ARG
40
−15.485
−7.529
5.838
1.00
0.00
PROT

ATOM
869
N
THR
41
−15.871
−8.020
3.725
1.00
0.00
PROT

ATOM
870
HN
THR
41
−15.517
−8.295
2.859
1.00
0.00
PROT

ATOM
871
CA
THR
41
−17.340
−7.853
3.910
1.00
0.00
PROT

ATOM
872
HA
THR
41
−17.677
−8.507
4.691
1.00
0.00
PROT

ATOM
873
CB
THR
41
−17.546
−6.389
4.330
1.00
0.00
PROT

ATOM
874
HB
THR
41
−17.144
−6.238
5.319
1.00
0.00
PROT

ATOM
875
OG1
THR
41
−18.937
−6.098
4.341
1.00
0.00
PROT

ATOM
876
HG1
THR
41
−19.232
−6.094
5.254
1.00
0.00
PROT

ATOM
877
CG2
THR
41
−16.843
−5.449
3.346
1.00
0.00
PROT

ATOM
878
HG21
THR
41
−15.874
−5.849
3.089
1.00
0.00
PROT

ATOM
879
HG22
THR
41
−16.720
−4.479
3.803
1.00
0.00
PROT

ATOM
880
HG23
THR
41
−17.440
−5.352
2.452
1.00
0.00
PROT

ATOM
881
C
THR
41
−18.125
−8.152
2.628
1.00
0.00
PROT

ATOM
882
O
THR
41
−19.098
−8.879
2.668
1.00
0.00
PROT

ATOM
883
N
GLU
42
−17.776
−7.565
1.504
1.00
0.00
PROT

ATOM
884
HN
GLU
42
−16.992
−6.973
1.470
1.00
0.00
PROT

ATOM
885
CA
GLU
42
−18.593
−7.827
0.273
1.00
0.00
PROT

ATOM
886
HA
GLU
42
−18.698
−8.890
0.117
1.00
0.00
PROT

ATOM
887
CB
GLU
42
−19.956
−7.203
0.577
1.00
0.00
PROT

ATOM
888
HB1
GLU
42
−20.408
−7.715
1.407
1.00
0.00
PROT

ATOM
889
HB2
GLU
42
−20.594
−7.291
−0.291
1.00
0.00
PROT

ATOM
890
CG
GLU
42
−19.773
−5.726
0.928
1.00
0.00
PROT

ATOM
891
HG1
GLU
42
−20.130
−5.547
1.931
1.00
0.00
PROT

ATOM
892
HG2
GLU
42
−18.725
−5.469
0.868
1.00
0.00
PROT

ATOM
893
CD
GLU
42
−20.566
−4.865
−0.057
1.00
0.00
PROT

ATOM
894
OE1
GLU
42
−19.983
−4.433
−1.038
1.00
0.00
PROT

ATOM
895
OE2
GLU
42
−21.743
−4.656
0.185
1.00
0.00
PROT

ATOM
896
C
GLU
42
−18.019
−7.165
−0.981
1.00
0.00
PROT

ATOM
897
O
GLU
42
−18.713
−6.448
−1.675
1.00
0.00
PROT

ATOM
898
N
ALA
43
−16.802
−7.457
−1.334
1.00
0.00
PROT

ATOM
899
HN
ALA
43
−16.253
−8.049
−0.770
1.00
0.00
PROT

ATOM
900
CA
ALA
43
−16.248
−6.865
−2.595
1.00
0.00
PROT

ATOM
901
HA
ALA
43
−17.007
−6.293
−3.095
1.00
0.00
PROT

ATOM
902
CB
ALA
43
−15.111
−5.942
−2.167
1.00
0.00
PROT

ATOM
903
HB1
ALA
43
−14.957
−5.190
−2.927
1.00
0.00
PROT

ATOM
904
HB2
ALA
43
−14.209
−6.516
−2.047
1.00
0.00
PROT

ATOM
905
HB3
ALA
43
−15.368
−5.461
−1.236
1.00
0.00
PROT

ATOM
906
C
ALA
43
−15.731
−7.967
−3.528
1.00
0.00
PROT

ATOM
907
O
ALA
43
−14.563
−7.992
−3.861
1.00
0.00
PROT

ATOM
908
N
PRO
44
−16.625
−8.837
−3.937
1.00
0.00
PROT

ATOM
909
CA
PRO
44
−16.242
−9.942
−4.849
1.00
0.00
PROT

ATOM
910
HA
PRO
44
−15.384
−10.473
−4.463
1.00
0.00
PROT

ATOM
911
CB
PRO
44
−17.473
−10.848
−4.860
1.00
0.00
PROT

ATOM
912
HB1
PRO
44
−17.358
−11.646
−4.141
1.00
0.00
PROT

ATOM
913
HB2
PRO
44
−17.632
−11.253
−5.848
1.00
0.00
PROT

ATOM
914
CG
PRO
44
−18.614
−9.961
−4.473
1.00
0.00
PROT

ATOM
915
HG1
PRO
44
−19.357
−10.531
−3.934
1.00
0.00
PROT

ATOM
916
HG2
PRO
44
−19.055
−9.523
−5.356
1.00
0.00
PROT

ATOM
917
CD
PRO
44
−18.054
−8.879
−3.588
1.00
0.00
PROT

ATOM
918
HD2
PRO
44
−18.182
−9.138
−2.547
1.00
0.00
PROT

ATOM
919
HD1
PRO
44
−18.525
−7.932
−3.804
1.00
0.00
PROT

ATOM
920
C
PRO
44
−15.960
−9.408
−6.257
1.00
0.00
PROT

ATOM
921
O
PRO
44
−15.338
−10.067
−7.067
1.00
0.00
PROT

ATOM
922
N
GLY
45
−16.407
−8.217
−6.555
1.00
0.00
PROT

ATOM
923
HN
GLY
45
−16.910
−7.702
−5.891
1.00
0.00
PROT

ATOM
924
CA
GLY
45
−16.168
−7.648
−7.912
1.00
0.00
PROT

ATOM
925
HA1
GLY
45
−16.251
−8.434
−8.649
1.00
0.00
PROT

ATOM
926
HA2
GLY
45
−16.909
−6.889
−8.116
1.00
0.00
PROT

ATOM
927
C
GLY
45
−14.768
−7.023
−7.992
1.00
0.00
PROT

ATOM
928
O
GLY
45
−14.424
−6.391
−8.971
1.00
0.00
PROT

ATOM
929
N
TYR
46
−13.955
−7.195
−6.982
1.00
0.00
PROT

ATOM
930
HN
TYR
46
−14.247
−7.697
−6.197
1.00
0.00
PROT

ATOM
931
CA
TYR
46
−12.586
−6.605
−7.017
1.00
0.00
PROT

ATOM
932
HA
TYR
46
−12.650
−5.529
−7.087
1.00
0.00
PROT

ATOM
933
CB
TYR
46
−11.950
−7.012
−5.671
1.00
0.00
PROT

ATOM
934
HB1
TYR
46
−11.084
−6.396
−5.487
1.00
0.00
PROT

ATOM
935
HB2
TYR
46
−12.668
−6.857
−4.879
1.00
0.00
PROT

ATOM
936
CG
TYR
46
−11.532
−8.472
−5.683
1.00
0.00
PROT

ATOM
937
CD1
TYR
46
−10.188
−8.810
−5.889
1.00
0.00
PROT

ATOM
938
HD1
TYR
46
−9.453
−8.033
−6.039
1.00
0.00
PROT

ATOM
939
CD2
TYR
46
−12.482
−9.483
−5.483
1.00
0.00
PROT

ATOM
940
HD2
TYR
46
−13.517
−9.229
−5.321
1.00
0.00
PROT

ATOM
941
CE1
TYR
46
−9.795
−10.153
−5.899
1.00
0.00
PROT

ATOM
942
HE1
TYR
46
−8.759
−10.411
−6.060
1.00
0.00
PROT

ATOM
943
CE2
TYR
46
−12.088
−10.827
−5.493
1.00
0.00
PROT

ATOM
944
HE2
TYR
46
−12.821
−11.605
−5.341
1.00
0.00
PROT

ATOM
945
CZ
TYR
46
−10.745
−11.161
−5.701
1.00
0.00
PROT

ATOM
946
OH
TYR
46
−10.357
−12.486
−5.712
1.00
0.00
PROT

ATOM
947
HH
TYR
46
−10.517
−12.835
−6.592
1.00
0.00
PROT

ATOM
948
C
TYR
46
−11.795
−7.162
−8.211
1.00
0.00
PROT

ATOM
949
O
TYR
46
−12.363
−7.637
−9.174
1.00
0.00
PROT

ATOM
950
N
TYR
47
−10.484
−7.135
−8.140
1.00
0.00
PROT

ATOM
951
HN
TYR
47
−10.050
−6.750
−7.351
1.00
0.00
PROT

ATOM
952
CA
TYR
47
−9.640
−7.665
−9.264
1.00
0.00
PROT

ATOM
953
HA
TYR
47
−8.604
−7.700
−8.959
1.00
0.00
PROT

ATOM
954
CB
TYR
47
−10.150
−9.086
−9.542
1.00
0.00
PROT

ATOM
955
HB1
TYR
47
−10.768
−9.079
−10.428
1.00
0.00
PROT

ATOM
956
HB2
TYR
47
−10.733
−9.428
−8.700
1.00
0.00
PROT

ATOM
957
CG
TYR
47
−8.979
−10.015
−9.753
1.00
0.00
PROT

ATOM
958
CD1
TYR
47
−8.901
−11.215
−9.038
1.00
0.00
PROT

ATOM
959
HD1
TYR
47
−9.677
−11.475
−8.333
1.00
0.00
PROT

ATOM
960
CD2
TYR
47
−7.974
−9.679
−10.668
1.00
0.00
PROT

ATOM
961
HD2
TYR
47
−8.035
−8.753
−11.221
1.00
0.00
PROT

ATOM
962
CE1
TYR
47
−7.817
−12.079
−9.234
1.00
0.00
PROT

ATOM
963
HE1
TYR
47
−7.756
−13.005
−8.681
1.00
0.00
PROT

ATOM
964
CE2
TYR
47
−6.890
−10.542
−10.865
1.00
0.00
PROT

ATOM
965
HE2
TYR
47
−6.114
−10.283
−11.570
1.00
0.00
PROT

ATOM
966
CZ
TYR
47
−6.811
−11.742
−10.148
1.00
0.00
PROT

ATOM
967
OH
TYR
47
−5.742
−12.593
−10.343
1.00
0.00
PROT

ATOM
968
HH
TYR
47
−5.617
−13.100
−9.538
1.00
0.00
PROT

ATOM
969
C
TYR
47
−9.786
−6.791
−10.515
1.00
0.00
PROT

ATOM
970
O
TYR
47
−8.825
−6.231
−11.004
1.00
0.00
PROT

ATOM
971
N
GLU
48
−10.978
−6.671
−11.040
1.00
0.00
PROT

ATOM
972
HN
GLU
48
−11.739
−7.137
−10.636
1.00
0.00
PROT

ATOM
973
CA
GLU
48
−11.182
−5.842
−12.266
1.00
0.00
PROT

ATOM
974
HA
GLU
48
−10.802
−6.360
−13.132
1.00
0.00
PROT

ATOM
975
CB
GLU
48
−12.698
−5.668
−12.373
1.00
0.00
PROT

ATOM
976
HB1
GLU
48
−12.934
−5.101
−13.261
1.00
0.00
PROT

ATOM
977
HB2
GLU
48
−13.061
−5.141
−11.503
1.00
0.00
PROT

ATOM
978
CG
GLU
48
−13.367
−7.041
−12.453
1.00
0.00
PROT

ATOM
979
HG1
GLU
48
−13.726
−7.325
−11.475
1.00
0.00
PROT

ATOM
980
HG2
GLU
48
−12.651
−7.771
−12.800
1.00
0.00
PROT

ATOM
981
CD
GLU
48
−14.544
−6.977
−13.429
1.00
0.00
PROT

ATOM
982
OE1
GLU
48
−15.052
−5.889
−13.641
1.00
0.00
PROT

ATOM
983
OE2
GLU
48
−14.915
−8.017
−13.948
1.00
0.00
PROT

ATOM
984
C
GLU
48
−10.501
−4.479
−12.124
1.00
0.00
PROT

ATOM
985
O
GLU
48
−9.786
−4.037
−13.001
1.00
0.00
PROT

ATOM
986
N
VAL
49
−10.722
−3.808
−11.030
1.00
0.00
PROT

ATOM
987
HN
VAL
49
−11.289
−4.188
−10.328
1.00
0.00
PROT

ATOM
988
CA
VAL
49
−10.067
−2.484
−10.824
1.00
0.00
PROT

ATOM
989
HA
VAL
49
−9.838
−2.021
−11.773
1.00
0.00
PROT

ATOM
990
CB
VAL
49
−11.076
−1.637
−10.037
1.00
0.00
PROT

ATOM
991
HB
VAL
49
−11.117
−1.990
−9.016
1.00
0.00
PROT

ATOM
992
CG1
VAL
49
−12.466
−1.741
−10.674
1.00
0.00
PROT

ATOM
993
HG11
VAL
49
−12.370
−2.078
−11.695
1.00
0.00
PROT

ATOM
994
HG12
VAL
49
−12.943
−0.772
−10.658
1.00
0.00
PROT

ATOM
995
HG13
VAL
49
−13.065
−2.448
−10.116
1.00
0.00
PROT

ATOM
996
CG2
VAL
49
−10.626
−0.176
−10.048
1.00
0.00
PROT

ATOM
997
HG21
VAL
49
−9.941
−0.005
−9.231
1.00
0.00
PROT

ATOM
998
HG22
VAL
49
−11.486
0.467
−9.937
1.00
0.00
PROT

ATOM
999
HG23
VAL
49
−10.132
0.042
−10.983
1.00
0.00
PROT

ATOM
1000
C
VAL
49
−8.800
−2.680
−10.001
1.00
0.00
PROT

ATOM
1001
O
VAL
49
−7.806
−2.007
−10.186
1.00
0.00
PROT

ATOM
1002
N
ILE
50
−8.838
−3.611
−9.091
1.00
0.00
PROT

ATOM
1003
HN
ILE
50
−9.652
−4.142
−8.975
1.00
0.00
PROT

ATOM
1004
CA
ILE
50
−7.643
−3.889
−8.246
1.00
0.00
PROT

ATOM
1005
HA
ILE
50
−7.029
−3.005
−8.154
1.00
0.00
PROT

ATOM
1006
CB
ILE
50
−8.185
−4.319
−6.867
1.00
0.00
PROT

ATOM
1007
HB
ILE
50
−8.482
−5.356
−6.912
1.00
0.00
PROT

ATOM
1008
CG1
ILE
50
−9.398
−3.467
−6.453
1.00
0.00
PROT

ATOM
1009
HG11
ILE
50
−9.688
−3.724
−5.445
1.00
0.00
PROT

ATOM
1010
HG12
ILE
50
−10.220
−3.666
−7.125
1.00
0.00
PROT

ATOM
1011
CG2
ILE
50
−7.082
−4.160
−5.818
1.00
0.00
PROT

ATOM
1012
HG21
ILE
50
−7.302
−4.788
−4.967
1.00
0.00
PROT

ATOM
1013
HG22
ILE
50
−7.032
−3.129
−5.501
1.00
0.00
PROT

ATOM
1014
HG23
ILE
50
−6.134
−4.452
−6.245
1.00
0.00
PROT

ATOM
1015
CD1
ILE
50
−9.040
−1.981
−6.515
1.00
0.00
PROT

ATOM
1016
HD11
ILE
50
−7.998
−1.871
−6.772
1.00
0.00
PROT

ATOM
1017
HD12
ILE
50
−9.224
−1.526
−5.552
1.00
0.00
PROT

ATOM
1018
HD13
ILE
50
−9.649
−1.495
−7.263
1.00
0.00
PROT

ATOM
1019
C
ILE
50
−6.844
−5.036
−8.870
1.00
0.00
PROT

ATOM
1020
O
ILE
50
−7.069
−6.190
−8.566
1.00
0.00
PROT

ATOM
1021
N
ARG
51
−5.934
−4.732
−9.763
1.00
0.00
PROT

ATOM
1022
HN
ARG
51
−5.785
−3.795
−10.006
1.00
0.00
PROT

ATOM
1023
CA
ARG
51
−5.137
−5.811
−10.431
1.00
0.00
PROT

ATOM
1024
HA
ARG
51
−5.728
−6.294
−11.193
1.00
0.00
PROT

ATOM
1025
CB
ARG
51
−3.946
−5.091
−11.066
1.00
0.00
PROT

ATOM
1026
HB1
ARG
51
−3.256
−5.820
−11.460
1.00
0.00
PROT

ATOM
1027
HB2
ARG
51
−3.449
−4.491
−10.322
1.00
0.00
PROT

ATOM
1028
CG
ARG
51
−4.434
−4.195
−12.200
1.00
0.00
PROT

ATOM
1029
HG1
ARG
51
−3.972
−4.505
−13.124
1.00
0.00
PROT

ATOM
1030
HG2
ARG
51
−5.505
−4.276
−12.288
1.00
0.00
PROT

ATOM
1031
CD
ARG
51
−4.050
−2.746
−11.900
1.00
0.00
PROT

ATOM
1032
HD1
ARG
51
−3.823
−2.630
−10.851
1.00
0.00
PROT

ATOM
1033
HD2
ARG
51
−4.847
−2.077
−12.190
1.00
0.00
PROT

ATOM
1034
HE
ARG
51
−2.832
−2.495
−12.728
1.00
0.00
PROT

ATOM
1035
HE
ARG
51
−2.328
−3.255
−13.088
1.00
0.00
PROT

ATOM
1036
CZ
ARG
51
−2.429
−1.272
−12.982
1.00
0.00
PROT

ATOM
1037
NH1
ARG
51
−3.081
−0.235
−12.517
1.00
0.00
PROT

ATOM
1038
HH11
ARG
51
−2.757
0.689
−12.721
1.00
0.00
PROT

ATOM
1039
HH12
ARG
51
−3.900
−0.362
−11.958
1.00
0.00
PROT

ATOM
1040
NH2
ARG
51
−1.362
−1.085
−13.710
1.00
0.00
PROT

ATOM
1041
HH21
ARG
51
−0.858
−1.871
−14.069
1.00
0.00
PROT

ATOM
1042
HH22
ARG
51
−1.048
−0.157
−13.908
1.00
0.00
PROT

ATOM
1043
C
ARG
51
−4.640
−6.837
−9.409
1.00
0.00
PROT

ATOM
1044
O
ARG
51
−4.971
−8.004
−9.473
1.00
0.00
PROT

ATOM
1045
N
PHE
52
−3.859
−6.404
−8.462
1.00
0.00
PROT

ATOM
1046
HN
PHE
52
−3.612
−5.457
−8.427
1.00
0.00
PROT

ATOM
1047
CA
PHE
52
−3.354
−7.343
−7.425
1.00
0.00
PROT

ATOM
1048
HA
PHE
52
−3.751
−8.332
−7.584
1.00
0.00
PROT

ATOM
1049
CB
PHE
52
−1.834
−7.343
−7.606
1.00
0.00
PROT

ATOM
1050
HB1
PHE
52
−1.357
−7.417
−6.640
1.00
0.00
PROT

ATOM
1051
HB2
PHE
52
−1.529
−6.426
−8.088
1.00
0.00
PROT

ATOM
1052
CG
PHE
52
−1.426
−8.520
−8.459
1.00
0.00
PROT

ATOM
1053
CD1
PHE
52
−1.408
−9.809
−7.912
1.00
0.00
PROT

ATOM
1054
HD1
PHE
52
−1.691
−9.961
−6.881
1.00
0.00
PROT

ATOM
1055
CD2
PHE
52
−1.059
−8.321
−9.795
1.00
0.00
PROT

ATOM
1056
HD2
PHE
52
−1.071
−7.327
−10.217
1.00
0.00
PROT

ATOM
1057
CE1
PHE
52
−1.027
−10.899
−8.703
1.00
0.00
PROT

ATOM
1058
HE1
PHE
52
−1.014
−11.893
−8.281
1.00
0.00
PROT

ATOM
1059
CE2
PHE
52
−0.676
−9.412
−10.586
1.00
0.00
PROT

ATOM
1060
HE2
PHE
52
−0.394
−9.259
−11.617
1.00
0.00
PROT

ATOM
1061
CZ
PHE
52
−0.661
−10.701
−10.039
1.00
0.00
PROT

ATOM
1062
HZ
PHE
52
−0.366
−11.542
−10.649
1.00
0.00
PROT

ATOM
1063
C
PHE
52
−3.721
−6.825
−6.030
1.00
0.00
PROT

ATOM
1064
O
PHE
52
−3.039
−5.971
−5.500
1.00
0.00
PROT

ATOM
1065
N
PRO
53
−4.787
−7.356
−5.467
1.00
0.00
PROT

ATOM
1066
CA
PRO
53
−5.235
−6.916
−4.123
1.00
0.00
PROT

ATOM
1067
HA
PRO
53
−5.764
−5.977
−4.195
1.00
0.00
PROT

ATOM
1068
CB
PRO
53
−6.184
−8.024
−3.656
1.00
0.00
PROT

ATOM
1069
HB1
PRO
53
−7.143
−7.602
−3.393
1.00
0.00
PROT

ATOM
1070
HB2
PRO
53
−5.761
−8.538
−2.806
1.00
0.00
PROT

ATOM
1071
CG
PRO
53
−6.341
−8.978
−4.809
1.00
0.00
PROT

ATOM
1072
HG1
PRO
53
−5.870
−9.920
−4.568
1.00
0.00
PROT

ATOM
1073
HG2
PRO
53
−7.390
−9.137
−5.009
1.00
0.00
PROT

ATOM
1074
CD
PRO
53
−5.679
−8.376
−6.021
1.00
0.00
PROT

ATOM
1075
HD2
PRO
53
−6.416
−7.922
−6.668
1.00
0.00
PROT

ATOM
1076
HD1
PRO
53
−5.120
−9.128
−6.553
1.00
0.00
PROT

ATOM
1077
C
PRO
53
−4.046
−6.784
−3.168
1.00
0.00
PROT

ATOM
1078
O
PRO
53
−3.066
−7.494
−3.282
1.00
0.00
PROT

ATOM
1079
N
MET
54
−4.102
−5.853
−2.259
1.00
0.00
PROT

ATOM
1080
HN
MET
54
−4.894
−5.281
−2.185
1.00
0.00
PROT

ATOM
1081
CA
MET
54
−2.960
−5.657
−1.332
1.00
0.00
PROT

ATOM
1082
HA
MET
54
−2.666
−6.596
−0.887
1.00
0.00
PROT

ATOM
1083
CB
MET
54
−1.840
−5.106
−2.213
1.00
0.00
PROT

ATOM
1084
HB1
MET
54
−2.012
−4.056
−2.398
1.00
0.00
PROT

ATOM
1085
HB2
MET
54
−1.826
−5.639
−3.153
1.00
0.00
PROT

ATOM
1086
CG
MET
54
−0.498
−5.284
−1.506
1.00
0.00
PROT

ATOM
1087
HG1
MET
54
−0.666
−5.464
−0.454
1.00
0.00
PROT

ATOM
1088
HG2
MET
54
0.093
−4.389
−1.628
1.00
0.00
PROT

ATOM
1089
SD
MET
54
0.381
−6.694
−2.226
1.00
0.00
PROT

ATOM
1090
CE
MET
54
1.146
−7.290
−0.698
1.00
0.00
PROT

ATOM
1091
HE1
MET
54
1.495
−8.302
−0.841
1.00
0.00
PROT

ATOM
1092
HE2
MET
54
0.419
−7.269
0.101
1.00
0.00
PROT

ATOM
1093
HE3
MET
54
1.981
−6.654
−0.442
1.00
0.00
PROT

ATOM
1094
C
MET
54
−3.336
−4.646
−0.254
1.00
0.00
PROT

ATOM
1095
O
MET
54
−4.117
−3.743
−0.480
1.00
0.00
PROT

ATOM
1096
N
ASP
55
−2.796
−4.794
0.921
1.00
0.00
PROT

ATOM
1097
HN
ASP
55
−2.177
−5.535
1.086
1.00
0.00
PROT

ATOM
1098
CA
ASP
55
−3.138
−3.852
2.019
1.00
0.00
PROT

ATOM
1099
HA
ASP
55
−2.995
−2.831
1.698
1.00
0.00
PROT

ATOM
1100
CB
ASP
55
−4.618
−4.125
2.305
1.00
0.00
PROT

ATOM
1101
HB1
ASP
55
−4.743
−4.383
3.342
1.00
0.00
PROT

ATOM
1102
HB2
ASP
55
−4.955
−4.946
1.690
1.00
0.00
PROT

ATOM
1103
CG
ASP
55
−5.446
−2.878
1.983
1.00
0.00
PROT

ATOM
1104
OD1
ASP
55
−4.968
−2.051
1.224
1.00
0.00
PROT

ATOM
1105
OD2
ASP
55
−6.547
−2.773
2.497
1.00
0.00
PROT

ATOM
1106
C
ASP
55
−2.278
−4.153
3.247
1.00
0.00
PROT

ATOM
1107
O
ASP
55
−1.845
−5.270
3.445
1.00
0.00
PROT

ATOM
1108
N
LEU
56
−2.002
−3.155
4.055
1.00
0.00
PROT

ATOM
1109
HN
LEU
56
−2.359
−2.265
3.860
1.00
0.00
PROT

ATOM
1110
CA
LEU
56
−1.141
−3.362
5.267
1.00
0.00
PROT

ATOM
1111
HA
LEU
56
−0.100
−3.386
4.985
1.00
0.00
PROT

ATOM
1112
CB
LEU
56
−1.417
−2.150
6.168
1.00
0.00
PROT

ATOM
1113
HB1
LEU
56
−2.471
−2.107
6.394
1.00
0.00
PROT

ATOM
1114
HB2
LEU
56
−0.859
−2.255
7.087
1.00
0.00
PROT

ATOM
1115
CG
LEU
56
−0.997
−0.849
5.466
1.00
0.00
PROT

ATOM
1116
HG
LEU
56
−1.648
−0.666
4.625
1.00
0.00
PROT

ATOM
1117
CD1
LEU
56
−1.110
0.314
6.452
1.00
0.00
PROT

ATOM
1118
HD11
LEU
56
−0.157
0.470
6.936
1.00
0.00
PROT

ATOM
1119
HD12
LEU
56
−1.858
0.084
7.196
1.00
0.00
PROT

ATOM
1120
HD13
LEU
56
−1.394
1.210
5.921
1.00
0.00
PROT

ATOM
1121
CD2
LEU
56
0.450
−0.955
4.975
1.00
0.00
PROT

ATOM
1122
HD21
LEU
56
0.927
−1.810
5.432
1.00
0.00
PROT

ATOM
1123
HD22
LEU
56
0.988
−0.058
5.242
1.00
0.00
PROT

ATOM
1124
HD23
LEU
56
0.457
−1.071
3.901
1.00
0.00
PROT

ATOM
1125
C
LEU
56
−1.522
−4.655
5.995
1.00
0.00
PROT

ATOM
1126
O
LEU
56
−0.674
−5.444
6.363
1.00
0.00
PROT

ATOM
1127
N
LYS
57
−2.794
−4.896
6.160
1.00
0.00
PROT

ATOM
1128
HN
LYS
57
−3.457
−4.239
5.856
1.00
0.00
PROT

ATOM
1129
CA
LYS
57
−3.246
−6.145
6.842
1.00
0.00
PROT

ATOM
1130
HA
LYS
57
−3.052
−6.072
7.901
1.00
0.00
PROT

ATOM
1131
CB
LYS
57
−4.783
−6.170
6.594
1.00
0.00
PROT

ATOM
1132
HB1
LYS
57
−5.290
−6.101
7.545
1.00
0.00
PROT

ATOM
1133
HB2
LYS
57
−5.050
−5.316
5.995
1.00
0.00
PROT

ATOM
1134
CG
LYS
57
−5.257
−7.441
5.869
1.00
0.00
PROT

ATOM
1135
HG1
LYS
57
−6.283
−7.315
5.549
1.00
0.00
PROT

ATOM
1136
HG2
LYS
57
−4.632
−7.617
5.006
1.00
0.00
PROT

ATOM
1137
CD
LYS
57
−5.163
−8.635
6.818
1.00
0.00
PROT

ATOM
1138
HD1
LYS
57
−4.607
−8.352
7.699
1.00
0.00
PROT

ATOM
1139
HD2
LYS
57
−6.155
−8.951
7.102
1.00
0.00
PROT

ATOM
1140
CE
LYS
57
−4.445
−9.782
6.108
1.00
0.00
PROT

ATOM
1141
HE1
LYS
57
−5.137
−10.334
5.490
1.00
0.00
PROT

ATOM
1142
HE2
LYS
57
−3.631
−9.397
5.513
1.00
0.00
PROT

ATOM
1143
NZ
LYS
57
−3.925
−10.645
7.205
1.00
0.00
PROT

ATOM
1144
HZ1
LYS
57
−3.468
−11.486
6.798
1.00
0.00
PROT

ATOM
1145
HZ2
LYS
57
−4.712
−10.941
7.817
1.00
0.00
PROT

ATOM
1146
HZ3
LYS
57
−3.231
−10.112
7.767
1.00
0.00
PROT

ATOM
1147
C
LYS
57
−2.512
−7.373
6.265
1.00
0.00
PROT

ATOM
1148
O
LYS
57
−2.337
−8.369
6.939
1.00
0.00
PROT

ATOM
1149
N
THR
58
−2.067
−7.306
5.037
1.00
0.00
PROT

ATOM
1150
HN
THR
58
−2.232
−6.506
4.496
1.00
0.00
PROT

ATOM
1151
CA
THR
58
−1.392
−8.494
4.435
1.00
0.00
PROT

ATOM
1152
HA
THR
58
−1.379
−9.305
5.148
1.00
0.00
PROT

ATOM
1153
CB
THR
58
−2.264
−8.875
3.233
1.00
0.00
PROT

ATOM
1154
HB
THR
58
−3.227
−9.217
3.583
1.00
0.00
PROT

ATOM
1155
OG1
THR
58
−1.631
−9.916
2.504
1.00
0.00
PROT

ATOM
1156
HG1
THR
58
−2.183
−10.125
1.746
1.00
0.00
PROT

ATOM
1157
CG2
THR
58
−2.457
−7.660
2.321
1.00
0.00
PROT

ATOM
1158
HG21
THR
58
−2.908
−7.975
1.393
1.00
0.00
PROT

ATOM
1159
HG22
THR
58
−1.499
−7.205
2.119
1.00
0.00
PROT

ATOM
1160
HG23
THR
58
−3.101
−6.943
2.809
1.00
0.00
PROT

ATOM
1161
C
THR
58
0.040
−8.183
3.975
1.00
0.00
PROT

ATOM
1162
O
THR
58
0.902
−9.038
4.025
1.00
0.00
PROT

ATOM
1163
N
MET
59
0.309
−6.992
3.499
1.00
0.00
PROT

ATOM
1164
HM
MET
59
−0.392
−6.310
3.443
1.00
0.00
PROT

ATOM
1165
CA
MET
59
1.693
−6.701
3.010
1.00
0.00
PROT

ATOM
1166
HA
MET
59
2.041
−7.515
2.393
1.00
0.00
PROT

ATOM
1167
CB
MET
59
1.591
−5.424
2.172
1.00
0.00
PROT

ATOM
1168
HB1
MET
59
0.874
−5.569
1.378
1.00
0.00
PROT

ATOM
1169
HB2
MET
59
2.560
−5.204
1.749
1.00
0.00
PROT

ATOM
1170
CG
MET
59
1.157
−4.249
3.044
1.00
0.00
PROT

ATOM
1171
HG1
MET
59
1.785
−4.196
3.920
1.00
0.00
PROT

ATOM
1172
HG2
MET
59
0.131
−4.381
3.343
1.00
0.00
PROT

ATOM
1173
SD
MET
59
1.320
−2.718
2.092
1.00
0.00
PROT

ATOM
1174
CE
MET
59
3.122
−2.585
2.192
1.00
0.00
PROT

ATOM
1175
HE1
MET
59
3.556
−3.573
2.217
1.00
0.00
PROT

ATOM
1176
HE2
MET
59
3.395
−2.050
3.089
1.00
0.00
PROT

ATOM
1177
HE3
MET
59
3.492
−2.051
1.329
1.00
0.00
PROT

ATOM
1178
C
MET
59
2.657
−6.487
4.176
1.00
0.00
PROT

ATOM
1179
O
MET
59
3.835
−6.766
4.069
1.00
0.00
PROT

ATOM
1180
N
SER
60
2.184
−5.978
5.278
1.00
0.00
PROT

ATOM
1181
HN
SER
60
1.232
−5.761
5.356
1.00
0.00
PROT

ATOM
1182
CA
SER
60
3.100
−5.756
6.426
1.00
0.00
PROT

ATOM
1183
HA
SER
60
3.967
−5.197
6.105
1.00
0.00
PROT

ATOM
1184
CB
SER
60
2.289
−4.952
7.442
1.00
0.00
PROT

ATOM
1185
HB1
SER
60
2.962
−4.470
8.135
1.00
0.00
PROT

ATOM
1186
HB2
SER
60
1.629
−5.615
7.982
1.00
0.00
PROT

ATOM
1187
OG
SER
60
1.522
−3.968
6.763
1.00
0.00
PROT

ATOM
1188
HG
SER
60
1.083
−3.427
7.423
1.00
0.00
PROT

ATOM
1189
C
SER
60
3.518
−7.100
7.016
1.00
0.00
PROT

ATOM
1190
O
SER
60
4.567
−7.231
7.616
1.00
0.00
PROT

ATOM
1191
N
GLU
61
2.708
−8.105
6.835
1.00
0.00
PROT

ATOM
1192
HN
GLU
61
1.872
−7.977
6.341
1.00
0.00
PROT

ATOM
1193
CA
GLU
61
3.058
−9.449
7.364
1.00
0.00
PROT

ATOM
1194
HA
GLU
61
3.246
−9.397
8.424
1.00
0.00
PROT

ATOM
1195
CB
GLU
61
1.822
−10.300
7.097
1.00
0.00
PROT

ATOM
1196
HB1
GLU
61
2.106
−11.336
6.980
1.00
0.00
PROT

ATOM
1197
HB2
GLU
61
1.336
−9.954
6.212
1.00
0.00
PROT

ATOM
1198
CG
GLU
61
0.869
−10.154
8.265
1.00
0.00
PROT

ATOM
1199
HG1
GLU
61
1.419
−9.817
9.115
1.00
0.00
PROT

ATOM
1200
HG2
GLU
61
0.117
−9.426
8.019
1.00
0.00
PROT

ATOM
1201
CD
GLU
61
0.209
−11.500
8.571
1.00
0.00
PROT

ATOM
1202
OE1
GLU
61
0.933
−12.466
8.749
1.00
0.00
PROT

ATOM
1203
OE2
GLU
61
−1.009
−11.541
8.623
1.00
0.00
PROT

ATOM
1204
C
GLU
61
4.271
−10.009
6.619
1.00
0.00
PROT

ATOM
1205
O
GLU
61
4.970
−10.875
7.107
1.00
0.00
PROT

ATOM
1206
N
ARG
62
4.528
−9.515
5.437
1.00
0.00
PROT

ATOM
1207
HN
ARG
62
3.950
−8.817
5.063
1.00
0.00
PROT

ATOM
1208
CA
ARG
62
5.694
−10.009
4.653
1.00
0.00
PROT

ATOM
1209
HA
ARG
62
5.663
−11.085
4.573
1.00
0.00
PROT

ATOM
1210
CB
ARG
62
5.534
−9.368
3.275
1.00
0.00
PROT

ATOM
1211
HB1
ARG
62
5.464
−8.295
3.382
1.00
0.00
PROT

ATOM
1212
HB2
ARG
62
6.387
−9.615
2.660
1.00
0.00
PROT

ATOM
1213
CG
ARG
62
4.260
−9.900
2.622
1.00
0.00
PROT

ATOM
1214
HG1
ARG
62
3.403
−9.389
3.036
1.00
0.00
PROT

ATOM
1215
HG2
ARG
62
4.177
−10.959
2.816
1.00
0.00
PROT

ATOM
1216
CD
ARG
62
4.319
−9.656
1.114
1.00
0.00
PROT

ATOM
1217
HD1
ARG
62
5.316
−9.841
0.744
1.00
0.00
PROT

ATOM
1218
HD2
ARG
62
4.012
−8.647
0.884
1.00
0.00
PROT

ATOM
1219
NE
ARG
62
3.358
−10.637
0.530
1.00
0.00
PROT

ATOM
1220
HE
ARG
62
2.494
−10.324
0.191
1.00
0.00
PROT

ATOM
1221
CZ
ARG
62
3.656
−11.915
0.465
1.00
0.00
PROT

ATOM
1222
NH1
ARG
62
2.795
−12.748
−0.052
1.00
0.00
PROT

ATOM
1223
HH11
ARG
62
3.013
−13.723
−0.105
1.00
0.00
PROT

ATOM
1224
HH12
ARG
62
1.917
−12.413
−0.394
1.00
0.00
PROT

ATOM
1225
NH2
ARG
62
4.803
−12.365
0.910
1.00
0.00
PROT

ATOM
1226
HH21
ARG
62
5.472
−11.738
1.308
1.00
0.00
PROT

ATOM
1227
HH22
ARG
62
5.010
−13.341
0.851
1.00
0.00
PROT

ATOM
1228
C
ARG
62
7.001
−9.559
5.303
1.00
0.00
PROT

ATOM
1229
O
ARG
62
7.903
−10.346
5.508
1.00
0.00
PROT

ATOM
1230
N
LEU
63
7.112
−8.301
5.640
1.00
0.00
PROT

ATOM
1231
HN
LEU
63
6.372
−7.680
5.474
1.00
0.00
PROT

ATOM
1232
CA
LEU
63
8.362
−7.818
6.291
1.00
0.00
PROT

ATOM
1233
HA
LEU
63
9.182
−7.836
5.588
1.00
0.00
PROT

ATOM
1234
CB
LEU
63
8.064
−6.383
6.724
1.00
0.00
PROT

ATOM
1235
HB1
LEU
63
7.309
−5.959
6.077
1.00
0.00
PROT

ATOM
1236
HB2
LEU
63
7.708
−6.381
7.744
1.00
0.00
PROT

ATOM
1237
CG
LEU
63
9.348
−5.556
6.630
1.00
0.00
PROT

ATOM
1238
HG
LEU
63
10.100
−6.121
6.099
1.00
0.00
PROT

ATOM
1239
CD1
LEU
63
9.853
−5.236
8.038
1.00
0.00
PROT

ATOM
1240
HD11
LEU
63
10.400
−6.084
8.425
1.00
0.00
PROT

ATOM
1241
HD12
LEU
63
9.013
−5.024
8.682
1.00
0.00
PROT

ATOM
1242
HD13
LEU
63
10.504
−4.375
7.999
1.00
0.00
PROT

ATOM
1243
CD2
LEU
63
9.067
−4.254
5.878
1.00
0.00
PROT

ATOM
1244
HD21
LEU
63
9.631
−3.451
6.328
1.00
0.00
PROT

ATOM
1245
HD22
LEU
63
8.012
−4.028
5.931
1.00
0.00
PROT

ATOM
1246
HD23
LEU
63
9.360
−4.366
4.844
1.00
0.00
PROT

ATOM
1247
C
LEU
63
8.683
−8.689
7.506
1.00
0.00
PROT

ATOM
1248
O
LEU
63
9.828
−8.979
7.791
1.00
0.00
PROT

ATOM
1249
N
LYS
64
7.676
−9.128
8.209
1.00
0.00
PROT

ATOM
1250
HN
LYS
64
6.758
−8.901
7.948
1.00
0.00
PROT

ATOM
1251
CA
LYS
64
7.920
−10.021
9.373
1.00
0.00
PROT

ATOM
1252
HA
LYS
64
8.527
−9.522
10.114
1.00
0.00
PROT

ATOM
1253
CB
LYS
64
6.530
−10.328
9.932
1.00
0.00
PROT

ATOM
1254
HB1
LYS
64
6.032
−11.040
9.291
1.00
0.00
PROT

ATOM
1255
HB2
LYS
64
5.950
−9.418
9.976
1.00
0.00
PROT

ATOM
1256
CG
LYS
64
6.663
−10.915
11.339
1.00
0.00
PROT

ATOM
1257
HG1
LYS
64
7.354
−10.317
11.914
1.00
0.00
PROT

ATOM
1258
HG2
LYS
64
7.031
−11.928
11.273
1.00
0.00
PROT

ATOM
1259
CD
LYS
64
5.294
−10.913
12.023
1.00
0.00
PROT

ATOM
1260
HD1
LYS
64
4.702
−10.094
11.641
1.00
0.00
PROT

ATOM
1261
HD2
LYS
64
5.425
−10.796
13.089
1.00
0.00
PROT

ATOM
1262
CE
LYS
64
4.577
−12.235
11.739
1.00
0.00
PROT

ATOM
1263
HE1
LYS
64
4.821
−12.590
10.749
1.00
0.00
PROT

ATOM
1264
HE2
LYS
64
4.844
−12.974
12.481
1.00
0.00
PROT

ATOM
1265
NZ
LYS
64
3.126
−11.909
11.831
1.00
0.00
PROT

ATOM
1266
HZ1
LYS
64
2.956
−11.319
12.670
1.00
0.00
PROT

ATOM
1267
HZ2
LYS
64
2.577
−12.789
11.909
1.00
0.00
PROT

ATOM
1268
HZ3
LYS
64
2.833
−11.392
10.978
1.00
0.00
PROT

ATOM
1269
C
LYS
64
8.599
−11.300
8.888
1.00
0.00
PROT

ATOM
1270
O
LYS
64
9.399
−11.896
9.582
1.00
0.00
PROT

ATOM
1271
N
ASN
65
8.300
−11.708
7.684
1.00
0.00
PROT

ATOM
1272
HN
ASN
65
7.658
−11.203
7.140
1.00
0.00
PROT

ATOM
1273
CA
ASN
65
8.940
−12.929
7.127
1.00
0.00
PROT

ATOM
1274
HA
ASN
65
9.238
−13.597
7.922
1.00
0.00
PROT

ATOM
1275
CB
ASN
65
7.851
−13.573
6.268
1.00
0.00
PROT

ATOM
1276
HB1
ASN
65
6.880
−13.312
6.664
1.00
0.00
PROT

ATOM
1277
HB2
ASN
65
7.934
−13.213
5.252
1.00
0.00
PROT

ATOM
1278
CG
ASN
65
8.017
−15.092
6.289
1.00
0.00
PROT

ATOM
1279
OD1
ASN
65
8.240
−15.705
5.264
1.00
0.00
PROT

ATOM
1280
ND2
ASN
65
7.918
−15.730
7.422
1.00
0.00
PROT

ATOM
1281
HD21
ASN
65
7.739
−15.236
8.249
1.00
0.00
PROT

ATOM
1282
HD22
ASN
65
8.023
−16.703
7.447
1.00
0.00
PROT

ATOM
1283
C
ASN
65
10.146
−12.557
6.256
1.00
0.00
PROT

ATOM
1284
O
ASN
65
10.759
−13.407
5.640
1.00
0.00
PROT

ATOM
1285
N
ARG
66
10.487
−11.295
6.184
1.00
0.00
PROT

ATOM
1286
HN
ARG
66
9.982
−10.618
6.678
1.00
0.00
PROT

ATOM
1287
CA
ARG
66
11.641
−10.883
5.335
1.00
0.00
PROT

ATOM
1288
HA
ARG
66
11.731
−9.807
5.322
1.00
0.00
PROT

ATOM
1289
CB
ARG
66
12.866
−11.510
6.002
1.00
0.00
PROT

ATOM
1290
HB1
ARG
66
12.850
−12.579
5.852
1.00
0.00
PROT

ATOM
1291
HB2
ARG
66
12.848
−11.293
7.060
1.00
0.00
PROT

ATOM
1292
CG
ARG
66
14.138
−10.925
5.383
1.00
0.00
PROT

ATOM
1293
HG1
ARG
66
13.895
−10.017
4.852
1.00
0.00
PROT

ATOM
1294
HG2
ARG
66
14.850
−10.705
6.164
1.00
0.00
PROT

ATOM
1295
CD
ARG
66
14.744
−11.938
4.409
1.00
0.00
PROT

ATOM
1296
HD1
ARG
66
14.133
−12.827
4.363
1.00
0.00
PROT

ATOM
1297
HD2
ARG
66
14.846
−11.500
3.427
1.00
0.00
PROT

ATOM
1298
NE
ARG
66
16.087
−12.260
4.977
1.00
0.00
PROT

ATOM
1299
HE
ARG
66
16.322
−11.943
5.874
1.00
0.00
PROT

ATOM
1300
CZ
ARG
66
16.958
−12.964
4.290
1.00
0.00
PROT

ATOM
1301
NH1
ARG
66
16.675
−13.403
3.089
1.00
0.00
PROT

ATOM
1302
HH11
ARG
66
15.787
−13.208
2.675
1.00
0.00
PROT

ATOM
1303
HH12
ARG
66
17.352
−13.938
2.582
1.00
0.00
PROT

ATOM
1304
NH2
ARG
66
18.124
−13.230
4.813
1.00
0.00
PROT

ATOM
1305
HH21
ARG
66
18.348
−12.899
5.730
1.00
0.00
PROT

ATOM
1306
HH22
ARG
66
18.793
−13.766
4.297
1.00
0.00
PROT

ATOM
1307
C
ARG
66
11.465
−11.420
3.915
1.00
0.00
PROT

ATOM
1308
O
ARG
66
12.036
−12.427
3.544
1.00
0.00
PROT

ATOM
1309
N
TYR
67
10.662
−10.765
3.123
1.00
0.00
PROT

ATOM
1310
HN
TYR
67
10.210
−9.957
3.445
1.00
0.00
PROT

ATOM
1311
CA
TYR
67
10.435
−11.239
1.730
1.00
0.00
PROT

ATOM
1312
HA
TYR
67
11.182
−11.968
1.454
1.00
0.00
PROT

ATOM
1313
CB
TYR
67
9.047
−11.881
1.757
1.00
0.00
PROT

ATOM
1314
HB1
TYR
67
8.815
−12.194
2.765
1.00
0.00
PROT

ATOM
1315
HB2
TYR
67
8.311
−11.164
1.425
1.00
0.00
PROT

ATOM
1316
CG
TYR
67
9.029
−13.082
0.842
1.00
0.00
PROT

ATOM
1317
CD1
TYR
67
9.800
−14.209
1.151
1.00
0.00
PROT

ATOM
1318
HD1
TYR
67
10.408
−14.219
2.043
1.00
0.00
PROT

ATOM
1319
CD2
TYR
67
8.241
−13.068
−0.315
1.00
0.00
PROT

ATOM
1320
HD2
TYR
67
7.646
−12.199
−0.553
1.00
0.00
PROT

ATOM
1321
CE1
TYR
67
9.784
−15.322
0.302
1.00
0.00
PROT

ATOM
1322
HE1
TYR
67
10.379
−16.191
0.540
1.00
0.00
PROT

ATOM
1323
CE2
TYR
67
8.225
−14.181
−1.164
1.00
0.00
PROT

ATOM
1324
HE2
TYR
67
7.617
−14.171
−2.057
1.00
0.00
PROT

ATOM
1325
CZ
TYR
67
8.996
−15.308
−0.856
1.00
0.00
PROT

ATOM
1326
OH
TYR
67
8.980
−16.406
−1.692
1.00
0.00
PROT

ATOM
1327
HH
TYR
67
9.451
−16.174
−2.495
1.00
0.00
PROT

ATOM
1328
C
TYR
67
10.457
−10.057
0.761
1.00
0.00
PROT

ATOM
1329
O
TYR
67
11.132
−10.084
−0.249
1.00
0.00
PROT

ATOM
1330
N
TYR
68
9.730
−9.016
1.061
1.00
0.00
PROT

ATOM
1331
HN
TYR
68
9.196
−9.010
1.885
1.00
0.00
PROT

ATOM
1332
CA
TYR
68
9.725
−7.832
0.156
1.00
0.00
PROT

ATOM
1333
HA
TYR
68
9.823
−8.144
−0.870
1.00
0.00
PROT

ATOM
1334
CB
TYR
68
8.375
−7.148
0.391
1.00
0.00
PROT

ATOM
1335
HB1
TYR
68
8.464
−6.097
0.157
1.00
0.00
PROT

ATOM
1336
HB2
TYR
68
8.091
−7.260
1.426
1.00
0.00
PROT

ATOM
1337
CG
TYR
68
7.320
−7.769
−0.497
1.00
0.00
PROT

ATOM
1338
CD1
TYR
68
6.395
−6.949
−1.156
1.00
0.00
PROT

ATOM
1339
HD1
TYR
68
6.439
−5.877
−1.030
1.00
0.00
PROT

ATOM
1340
CD2
TYR
68
7.259
−9.160
−0.658
1.00
0.00
PROT

ATOM
1341
HD2
TYR
68
7.970
−9.795
−0.152
1.00
0.00
PROT

ATOM
1342
CE1
TYR
68
5.415
−7.518
−1.978
1.00
0.00
PROT

ATOM
1343
HE1
TYR
68
4.703
−6.884
−2.487
1.00
0.00
PROT

ATOM
1344
CE2
TYR
68
6.280
−9.727
−1.483
1.00
0.00
PROT

ATOM
1345
HE2
TYR
68
6.234
−10.799
−1.607
1.00
0.00
PROT

ATOM
1346
CZ
TYR
68
5.357
−8.906
−2.141
1.00
0.00
PROT

ATOM
1347
OH
TYR
68
4.391
−9.467
−2.952
1.00
0.00
PROT

ATOM
1348
HH
TYR
68
3.556
−9.444
−2.478
1.00
0.00
PROT

ATOM
1349
C
TYR
68
10.862
−6.893
0.523
1.00
0.00
PROT

ATOM
1350
O
TYR
68
10.669
−5.713
0.724
1.00
0.00
PROT

ATOM
1351
N
VAL
69
12.051
−7.409
0.594
1.00
0.00
PROT

ATOM
1352
HN
VAL
69
12.179
−8.366
0.434
1.00
0.00
PROT

ATOM
1353
CA
VAL
69
13.209
−6.562
0.956
1.00
0.00
PROT

ATOM
1354
HA
VAL
69
12.929
−5.841
1.710
1.00
0.00
PROT

ATOM
1355
CB
VAL
69
14.225
−7.551
1.517
1.00
0.00
PROT

ATOM
1356
HB
VAL
69
13.798
−8.067
2.365
1.00
0.00
PROT

ATOM
1357
CG1
VAL
69
15.462
−6.788
1.956
1.00
0.00
PROT

ATOM
1358
HG11
VAL
69
16.224
−6.878
1.199
1.00
0.00
PROT

ATOM
1359
HG12
VAL
69
15.823
−7.195
2.887
1.00
0.00
PROT

ATOM
1360
HG13
VAL
69
15.205
−5.748
2.091
1.00
0.00
PROT

ATOM
1361
CG2
VAL
69
14.608
−8.568
0.439
1.00
0.00
PROT

ATOM
1362
HG21
VAL
69
14.248
−8.229
−0.521
1.00
0.00
PROT

ATOM
1363
HG22
VAL
69
14.164
−9.524
0.672
1.00
0.00
PROT

ATOM
1364
HG23
VAL
69
15.683
−8.670
0.405
1.00
0.00
PROT

ATOM
1365
C
VAL
69
13.771
−5.856
−0.280
1.00
0.00
PROT

ATOM
1366
O
VAL
69
14.890
−6.098
−0.689
1.00
0.00
PROT

ATOM
1367
N
SER
70
13.005
−4.985
−0.883
1.00
0.00
PROT

ATOM
1368
HN
SER
70
12.109
−4.797
−0.533
1.00
0.00
PROT

ATOM
1369
CA
SER
70
13.502
−4.257
−2.086
1.00
0.00
PROT

ATOM
1370
HA
SER
70
14.432
−3.758
−1.863
1.00
0.00
PROT

ATOM
1371
CB
SER
70
13.719
−5.340
−3.147
1.00
0.00
PROT

ATOM
1372
HB1
SER
70
14.694
−5.786
−3.012
1.00
0.00
PROT

ATOM
1373
HB2
SER
70
12.958
−6.100
−3.048
1.00
0.00
PROT

ATOM
1374
OG
SER
70
13.642
−4.758
−4.440
1.00
0.00
PROT

ATOM
1375
HG
SER
70
14.287
−4.049
−4.486
1.00
0.00
PROT

ATOM
1376
C
SER
70
12.462
−3.246
−2.568
1.00
0.00
PROT

ATOM
1377
O
SER
70
11.283
−3.378
−2.302
1.00
0.00
PROT

ATOM
1378
N
LYS
71
12.889
−2.236
−3.276
1.00
0.00
PROT

ATOM
1379
HN
LYS
71
13.844
−2.149
−3.479
1.00
0.00
PROT

ATOM
1380
CA
LYS
71
11.926
−1.217
−3.776
1.00
0.00
PROT

ATOM
1381
HA
LYS
71
11.512
−0.659
−2.950
1.00
0.00
PROT

ATOM
1382
CB
LYS
71
12.759
−0.300
−4.678
1.00
0.00
PROT

ATOM
1383
HB1
LYS
71
13.491
0.222
−4.079
1.00
0.00
PROT

ATOM
1384
HB2
LYS
71
13.264
−0.893
−5.425
1.00
0.00
PROT

ATOM
1385
CG
LYS
71
11.848
0.721
−5.369
1.00
0.00
PROT

ATOM
1386
HG1
LYS
71
11.962
1.684
−4.895
1.00
0.00
PROT

ATOM
1387
HG2
LYS
71
10.820
0.404
−5.293
1.00
0.00
PROT

ATOM
1388
CD
LYS
71
12.235
0.831
−6.845
1.00
0.00
PROT

ATOM
1389
HD1
LYS
71
12.274
−0.156
−7.281
1.00
0.00
PROT

ATOM
1390
HD2
LYS
71
13.204
1.300
−6.928
1.00
0.00
PROT

ATOM
1391
CE
LYS
71
11.193
1.674
−7.583
1.00
0.00
PROT

ATOM
1392
HE1
LYS
71
11.524
2.700
−7.656
1.00
0.00
PROT

ATOM
1393
HE2
LYS
71
10.240
1.620
−7.079
1.00
0.00
PROT

ATOM
1394
NZ
LYS
71
11.098
1.063
−8.939
1.00
0.00
PROT

ATOM
1395
HZ1
LYS
71
11.935
1.326
−9.497
1.00
0.00
PROT

ATOM
1396
HZ2
LYS
71
10.240
1.408
−9.415
1.00
0.00
PROT

ATOM
1397
HZ3
LYS
71
11.052
0.028
−8.850
1.00
0.00
PROT

ATOM
1398
C
LYS
71
10.812
−1.895
−4.576
1.00
0.00
PROT

ATOM
1399
O
LYS
71
9.696
−2.022
−4.115
1.00
0.00
PROT

ATOM
1400
N
LYS
72
11.118
−2.345
−5.767
1.00
0.00
PROT

ATOM
1401
HN
LYS
72
12.023
−2.219
−6.113
1.00
0.00
PROT

ATOM
1402
CA
LYS
72
10.089
−3.016
−6.621
1.00
0.00
PROT

ATOM
1403
HA
LYS
72
9.444
−2.280
−7.076
1.00
0.00
PROT

ATOM
1404
CB
LYS
72
10.893
−3.752
−7.695
1.00
0.00
PROT

ATOM
1405
HB1
LYS
72
11.924
−3.831
−7.382
1.00
0.00
PROT

ATOM
1406
HB2
LYS
72
10.483
−4.741
−7.838
1.00
0.00
PROT

ATOM
1407
CG
LYS
72
10.817
−2.973
−9.010
1.00
0.00
PROT

ATOM
1408
HG1
LYS
72
11.745
−3.088
−9.551
1.00
0.00
PROT

ATOM
1409
HG2
LYS
72
10.650
−1.927
−8.800
1.00
0.00
PROT

ATOM
1410
CD
LYS
72
9.663
−3.514
−9.857
1.00
0.00
PROT

ATOM
1411
HD1
LYS
72
9.691
−4.593
−9.857
1.00
0.00
PROT

ATOM
1412
HD2
LYS
72
8.725
−3.178
−9.442
1.00
0.00
PROT

ATOM
1413
CE
LYS
72
9.798
−3.000
−11.292
1.00
0.00
PROT

ATOM
1414
HE1
LYS
72
10.838
−2.838
−11.537
1.00
0.00
PROT

ATOM
1415
HE2
LYS
72
9.234
−2.089
−11.420
1.00
0.00
PROT

ATOM
1416
NZ
LYS
72
9.230
−4.085
−12.140
1.00
0.00
PROT

ATOM
1417
HZ1
LYS
72
9.455
−3.899
−13.139
1.00
0.00
PROT

ATOM
1418
HZ2
LYS
72
8.197
−4.116
−12.018
1.00
0.00
PROT

ATOM
1419
HZ3
LYS
72
9.639
−4.998
−11.857
1.00
0.00
PROT

ATOM
1420
C
LYS
72
9.261
−4.014
−5.805
1.00
0.00
PROT

ATOM
1421
O
LYS
72
8.121
−4.284
−6.116
1.00
0.00
PROT

ATOM
1422
N
LEU
73
9.823
−4.558
−4.762
1.00
0.00
PROT

ATOM
1423
HN
LEU
73
10.742
−4.321
−4.519
1.00
0.00
PROT

ATOM
1424
CA
LEU
73
9.050
−5.507
−3.915
1.00
0.00
PROT

ATOM
1425
HA
LEU
73
8.459
−6.166
−4.534
1.00
0.00
PROT

ATOM
1426
CB
LEU
73
10.104
−6.304
−3.147
1.00
0.00
PROT

ATOM
1427
HB1
LEU
73
11.040
−5.765
−3.151
1.00
0.00
PROT

ATOM
1428
HB2
LEU
73
9.776
−6.449
−2.128
1.00
0.00
PROT

ATOM
1429
CG
LEU
73
10.296
−7.664
−3.820
1.00
0.00
PROT

ATOM
1430
HG
LEU
73
10.522
−7.519
−4.866
1.00
0.00
PROT

ATOM
1431
CD1
LEU
73
11.450
−8.410
−3.149
1.00
0.00
PROT

ATOM
1432
HD11
LEU
73
11.254
−9.471
−3.171
1.00
0.00
PROT

ATOM
1433
HD12
LEU
73
11.543
−8.081
−2.124
1.00
0.00
PROT

ATOM
1434
HD13
LEU
73
12.368
−8.202
−3.678
1.00
0.00
PROT

ATOM
1435
CD2
LEU
73
9.010
−8.484
−3.687
1.00
0.00
PROT

ATOM
1436
HD21
LEU
73
9.254
−9.489
−3.375
1.00
0.00
PROT

ATOM
1437
HD22
LEU
73
8.503
−8.516
−4.640
1.00
0.00
PROT

ATOM
1438
HD23
LEU
73
8.366
−8.026
−2.951
1.00
0.00
PROT

ATOM
1439
C
LEU
73
8.147
−4.731
−2.951
1.00
0.00
PROT

ATOM
1440
O
LEU
73
6.948
−4.916
−2.927
1.00
0.00
PROT

ATOM
1441
N
PHE
74
8.715
−3.847
−2.171
1.00
0.00
PROT

ATOM
1442
HN
PHE
74
9.684
−3.710
−2.214
1.00
0.00
PROT

ATOM
1443
CA
PHE
74
7.892
−3.045
−1.217
1.00
0.00
PROT

ATOM
1444
HA
PHE
74
7.206
−3.682
−0.677
1.00
0.00
PROT

ATOM
1445
CB
PHE
74
8.906
−2.414
−0.262
1.00
0.00
PROT

ATOM
1446
HB1
PHE
74
9.366
−1.561
−0.742
1.00
0.00
PROT

ATOM
1447
HB2
PHE
74
9.665
−3.140
−0.008
1.00
0.00
PROT

ATOM
1448
CG
PHE
74
8.202
−1.959
0.994
1.00
0.00
PROT

ATOM
1449
CD1
PHE
74
8.019
−0.592
1.234
1.00
0.00
PROT

ATOM
1450
HD1
PHE
74
8.379
0.134
0.520
1.00
0.00
PROT

ATOM
1451
CD2
PHE
74
7.735
−2.901
1.918
1.00
0.00
PROT

ATOM
1452
HD2
PHE
74
7.877
−3.956
1.732
1.00
0.00
PROT

ATOM
1453
CE1
PHE
74
7.369
−0.167
2.398
1.00
0.00
PROT

ATOM
1454
HE1
PHE
74
7.227
0.887
2.583
1.00
0.00
PROT

ATOM
1455
CE2
PHE
74
7.085
−2.476
3.082
1.00
0.00
PROT

ATOM
1456
HE2
PHE
74
6.724
−3.203
3.795
1.00
0.00
PROT

ATOM
1457
CZ
PHE
74
6.901
−1.109
3.322
1.00
0.00
PROT

ATOM
1458
HZ
PHE
74
6.401
−0.781
4.220
1.00
0.00
PROT

ATOM
1459
C
PHE
74
7.138
−1.943
−1.958
1.00
0.00
PROT

ATOM
1460
O
PHE
74
5.930
−1.839
−1.885
1.00
0.00
PROT

ATOM
1461
N
MET
75
7.852
−1.106
−2.654
1.00
0.00
PROT

ATOM
1462
HN
MET
75
8.826
−1.209
−2.689
1.00
0.00
PROT

ATOM
1463
CA
MET
75
7.200
0.006
−3.397
1.00
0.00
PROT

ATOM
1464
HA
MET
75
6.821
0.746
−2.708
1.00
0.00
PROT

ATOM
1465
CB
MET
75
8.324
0.604
4.242
1.00
0.00
PROT

ATOM
1466
HB1
MET
75
7.921
1.351
−4.906
1.00
0.00
PROT

ATOM
1467
HB2
MET
75
8.792
−0.169
−4.821
1.00
0.00
PROT

ATOM
1468
CG
MET
75
9.365
1.235
−3.316
1.00
0.00
PROT

ATOM
1469
HG1
MET
75
9.058
1.110
−2.289
1.00
0.00
PROT

ATOM
1470
HG2
MET
75
10.319
0.757
−3.466
1.00
0.00
PROT

ATOM
1471
SD
MET
75
9.512
2.993
−3.689
1.00
0.00
PROT

ATOM
1472
CE
MET
75
7.867
3.463
−3.126
1.00
0.00
PROT

ATOM
1473
HE1
MET
75
7.927
3.799
−2.102
1.00
0.00
PROT

ATOM
1474
HE2
MET
75
7.209
2.609
−3.189
1.00
0.00
PROT

ATOM
1475
HE3
MET
75
7.490
4.261
−3.751
1.00
0.00
PROT

ATOM
1476
C
MET
75
6.068
−0.524
−4.282
1.00
0.00
PROT

ATOM
1477
O
MET
75
5.160
0.199
−4.639
1.00
0.00
PROT

ATOM
1478
N
ALA
76
6.097
−1.786
−4.617
1.00
0.00
PROT

ATOM
1479
HN
ALA
76
6.838
−2.356
−4.324
1.00
0.00
PROT

ATOM
1480
CA
ALA
76
5.017
−2.351
−5.474
1.00
0.00
PROT

ATOM
1481
HA
ALA
76
4.859
−1.724
−6.339
1.00
0.00
PROT

ATOM
1482
CE
ALA
76
5.533
−3.725
−5.903
1.00
0.00
PROT

ATOM
1483
HB1
ALA
76
4.696
−4.387
−6.072
1.00
0.00
PROT

ATOM
1484
HB2
ALA
76
6.162
−4.133
−5.125
1.00
0.00
PROT

ATOM
1485
HB3
ALA
76
6.104
−3.627
−6.814
1.00
0.00
PROT

ATOM
1486
C
ALA
76
3.715
−2.502
−4.682
1.00
0.00
PROT

ATOM
1487
O
ALA
76
2.753
−1.798
−4.915
1.00
0.00
PROT

ATOM
1488
N
ASP
77
3.668
−3.429
−3.760
1.00
0.00
PROT

ATOM
1489
HN
ASP
77
4.449
−3.996
−3.597
1.00
0.00
PROT

ATOM
1490
CA
ASP
77
2.412
−3.647
−2.984
1.00
0.00
PROT

ATOM
1491
HA
ASP
77
1.640
−4.028
−3.636
1.00
0.00
PROT

ATOM
1492
CB
ASP
77
2.766
−4.697
−1.923
1.00
0.00
PROT

ATOM
1493
HB1
ASP
77
1.930
−4.828
−1.255
1.00
0.00
PROT

ATOM
1494
HB2
ASP
77
2.986
−5.636
−2.409
1.00
0.00
PROT

ATOM
1495
CG
ASP
77
3.986
−4.245
−1.121
1.00
0.00
PROT

ATOM
1496
OD1
ASP
77
3.851
−4.078
0.080
1.00
0.00
PROT

ATOM
1497
OD2
ASP
77
5.034
−4.080
−1.718
1.00
0.00
PROT

ATOM
1498
C
ASP
77
1.944
−2.345
−2.327
1.00
0.00
PROT

ATOM
1499
O
ASP
77
0.781
−1.993
−2.389
1.00
0.00
PROT

ATOM
1500
N
LEU
78
2.830
−1.621
−1.700
1.00
0.00
PROT

ATOM
1501
HN
LEU
78
3.766
−1.906
−1.667
1.00
0.00
PROT

ATOM
1502
CA
LEU
78
2.415
−0.345
−1.057
1.00
0.00
PROT

ATOM
1503
HA
LEU
78
1.688
−0.536
−0.282
1.00
0.00
PROT

ATOM
1504
CB
LEU
78
3.705
0.226
−0.455
1.00
0.00
PROT

ATOM
1505
HB1
LEU
78
4.265
−0.572
0.010
1.00
0.00
PROT

ATOM
1506
HB2
LEU
78
4.299
0.671
−1.239
1.00
0.00
PROT

ATOM
1507
CG
LEU
78
3.370
1.291
0.596
1.00
0.00
PROT

ATOM
1508
HG
LEU
78
2.897
2.134
0.116
1.00
0.00
PROT

ATOM
1509
CD1
LEU
78
4.661
1.751
1.277
1.00
0.00
PROT

ATOM
1510
HD11
LEU
78
5.445
1.842
0.541
1.00
0.00
PROT

ATOM
1511
HD12
LEU
78
4.951
1.027
2.025
1.00
0.00
PROT

ATOM
1512
HD13
LEU
78
4.497
2.709
1.749
1.00
0.00
PROT

ATOM
1513
CD2
LEU
78
2.427
0.708
1.653
1.00
0.00
PROT

ATOM
1514
HD21
LEU
78
2.801
0.942
2.638
1.00
0.00
PROT

ATOM
1515
HD22
LEU
78
2.373
−0.364
1.534
1.00
0.00
PROT

ATOM
1516
HD23
LEU
78
1.442
1.134
1.530
1.00
0.00
PROT

ATOM
1517
C
LEU
78
1.834
0.598
−2.112
1.00
0.00
PROT

ATOM
1518
O
LEU
78
0.727
1.090
−1.981
1.00
0.00
PROT

ATOM
1519
N
GLN
79
2.550
0.823
−3.180
1.00
0.00
PROT

ATOM
1520
HN
GLN
79
3.427
0.397
−3.285
1.00
0.00
PROT

ATOM
1521
CA
GLN
79
2.003
1.691
−4.256
1.00
0.00
PROT

ATOM
1522
HA
GLN
79
1.775
2.673
−3.870
1.00
0.00
PROT

ATOM
1523
CB
GLN
79
3.106
1.772
−5.312
1.00
0.00
PROT

ATOM
1524
HB1
GLN
79
4.000
2.185
−4.869
1.00
0.00
PROT

ATOM
1525
HB2
GLN
79
3.316
0.783
−5.691
1.00
0.00
PROT

ATOM
1526
CG
GLN
79
2.642
2.670
−6.461
1.00
0.00
PROT

ATOM
1527
HG1
GLN
79
3.421
2.734
−7.206
1.00
0.00
PROT

ATOM
1528
HG2
GLN
79
1.751
2.252
−6.907
1.00
0.00
PROT

ATOM
1529
CD
GLN
79
2.334
4.070
−5.923
1.00
0.00
PROT

ATOM
1530
OE1
GLN
79
3.200
4.920
−5.878
1.00
0.00
PROT

ATOM
1531
NE2
GLN
79
1.126
4.346
−5.510
1.00
0.00
PROT

ATOM
1532
HE21
GLN
79
0.427
3.660
−5.546
1.00
0.00
PROT

ATOM
1533
HE22
GLN
79
0.919
5.239
−5.164
1.00
0.00
PROT

ATOM
1534
C
GLN
79
0.751
1.040
−4.840
1.00
0.00
PROT

ATOM
1535
O
GLN
79
−0.188
1.707
−5.223
1.00
0.00
PROT

ATOM
1536
N
ARG
80
0.722
−0.266
−4.886
1.00
0.00
PROT

ATOM
1537
HN
ARG
80
1.485
−0.785
−4.559
1.00
0.00
PROT

ATOM
1538
CA
ARG
80
−0.480
−0.962
−5.420
1.00
0.00
PROT

ATOM
1539
HA
ARG
80
−0.746
−0.558
−6.383
1.00
0.00
PROT

ATOM
1540
CB
ARG
80
−0.074
−2.432
−5.547
1.00
0.00
PROT

ATOM
1541
HB1
ARG
80
0.739
−2.639
−4.868
1.00
0.00
PROT

ATOM
1542
HB2
ARG
80
−0.918
−3.059
−5.296
1.00
0.00
PROT

ATOM
1543
CG
ARG
80
0.373
−2.731
−6.984
1.00
0.00
PROT

ATOM
1544
HG1
ARG
80
0.694
−3.759
−7.049
1.00
0.00
PROT

ATOM
1545
HG2
ARG
80
1.197
−2.083
−7.244
1.00
0.00
PROT

ATOM
1546
CD
ARG
80
−0.785
−2.498
−7.968
1.00
0.00
PROT

ATOM
1547
HD1
ARG
80
−0.534
−2.896
−8.940
1.00
0.00
PROT

ATOM
1548
HD2
ARG
80
−1.008
−1.446
−8.043
1.00
0.00
PROT

ATOM
1549
NE
ARG
80
−1.951
−3.240
−7.395
1.00
0.00
PROT

ATOM
1550
HE
ARG
80
−1.794
−3.974
−6.765
1.00
0.00
PROT

ATOM
1551
CZ
ARG
80
−3.181
−2.927
−7.732
1.00
0.00
PROT

ATOM
1552
NH1
ARG
80
−3.427
−1.954
−8.574
1.00
0.00
PROT

ATOM
1553
HH11
ARG
80
−4.372
−1.732
−8.814
1.00
0.00
PROT

ATOM
1554
HH12
ARG
80
−2.678
−1.433
−8.980
1.00
0.00
PROT

ATOM
1555
NH2
ARG
80
−4.179
−3.592
−7.218
1.00
0.00
PROT

ATOM
1556
HH21
ARG
80
−5.117
−3.357
−7.470
1.00
0.00
PROT

ATOM
1557
HH22
ARG
80
−4.004
−4.337
−6.574
1.00
0.00
PROT

ATOM
1558
C
ARG
80
−1.649
−0.820
−4.445
1.00
0.00
PROT

ATOM
1559
O
ARG
80
−2.784
−1.067
−4.792
1.00
0.00
PROT

ATOM
1560
N
VAL
81
−1.381
−0.472
−3.213
1.00
0.00
PROT

ATOM
1561
HN
VAL
81
−0.468
−0.226
−2.958
1.00
0.00
PROT

ATOM
1562
CA
VAL
81
−2.497
−0.266
−2.253
1.00
0.00
PROT

ATOM
1563
HA
VAL
81
−3.256
−1.024
−2.380
1.00
0.00
PROT

ATOM
1564
CB
VAL
81
−1.866
−0.359
−0.857
1.00
0.00
PROT

ATOM
1565
HB
VAL
81
−0.983
0.264
−0.817
1.00
0.00
PROT

ATOM
1566
CG1
VAL
81
−1.480
−1.810
−0.570
1.00
0.00
PROT

ATOM
1567
HG11
VAL
81
−1.187
−2.293
−1.490
1.00
0.00
PROT

ATOM
1568
HG12
VAL
81
−2.326
−2.329
−0.144
1.00
0.00
PROT

ATOM
1569
HG13
VAL
81
−0.655
−1.832
0.129
1.00
0.00
PROT

ATOM
1570
CG2
VAL
81
−2.872
0.112
0.201
1.00
0.00
PROT

ATOM
1571
HG21
VAL
81
−3.713
−0.565
0.223
1.00
0.00
PROT

ATOM
1572
HG22
VAL
81
−3.217
1.106
−0.046
1.00
0.00
PROT

ATOM
1573
HG23
VAL
81
−2.396
0.126
1.170
1.00
0.00
PROT

ATOM
1574
C
VAL
81
−3.071
1.119
−2.498
1.00
0.00
PROT

ATOM
1575
O
VAL
81
−4.262
1.338
−2.448
1.00
0.00
PROT

ATOM
1576
N
PHE
82
−2.211
2.052
−2.777
1.00
0.00
PROT

ATOM
1577
HN
PHE
82
−1.256
1.830
−2.832
1.00
0.00
PROT

ATOM
1578
CA
PHE
82
−2.670
3.430
−3.074
1.00
0.00
PROT

ATOM
1579
HA
PHE
82
−3.460
3.724
−2.398
1.00
0.00
PROT

ATOM
1580
CB
PHE
82
−1.430
4.302
−2.869
1.00
0.00
PROT

ATOM
1581
HB1
PHE
82
−0.691
4.048
−3.609
1.00
0.00
PROT

ATOM
1582
HB2
PHE
82
−1.702
5.331
−2.983
1.00
0.00
PROT

ATOM
1583
CG
PHE
82
−0.850
4.088
−1.486
1.00
0.00
PROT

ATOM
1584
CD1
PHE
82
0.538
4.105
−1.307
1.00
0.00
PROT

ATOM
1585
HD1
PHE
82
1.190
4.259
−2.154
1.00
0.00
PROT

ATOM
1586
CD2
PHE
82
−1.695
3.896
−0.384
1.00
0.00
PROT

ATOM
1587
HD2
PHE
82
−2.766
3.886
−0.520
1.00
0.00
PROT

ATOM
1588
CE1
PHE
82
1.083
3.916
−0.032
1.00
0.00
PROT

ATOM
1589
HE1
PHE
82
2.154
3.925
0.105
1.00
0.00
PROT

ATOM
1590
CE2
PHE
82
−1.148
3.705
0.891
1.00
0.00
PROT

ATOM
1591
HE2
PHE
82
−1.797
3.551
1.739
1.00
0.00
PROT

ATOM
1592
CZ
PHE
82
0.240
3.716
1.067
1.00
0.00
PROT

ATOM
1593
HZ
PHE
82
0.661
3.569
2.051
1.00
0.00
PROT

ATOM
1594
C
PHE
82
−3.139
3.510
−4.526
1.00
0.00
PROT

ATOM
1595
O
PHE
82
−4.149
4.111
−4.835
1.00
0.00
PROT

ATOM
1596
N
THR
83
−2.407
2.900
−5.419
1.00
0.00
PROT

ATOM
1597
HN
THR
83
−1.599
2.420
−5.141
1.00
0.00
PROT

ATOM
1598
CA
THR
83
−2.798
2.923
−6.855
1.00
0.00
PROT

ATOM
1599
HA
THR
83
−2.812
3.938
−7.224
1.00
0.00
PROT

ATOM
1600
CB
THR
83
−1.711
2.111
−7.564
1.00
0.00
PROT

ATOM
1601
HB
THR
83
−1.671
1.118
−7.142
1.00
0.00
PROT

ATOM
1602
OG1
THR
83
−0.455
2.751
−7.391
1.00
0.00
PROT

ATOM
1603
HG1
THR
83
−0.446
3.541
−7.936
1.00
0.00
PROT

ATOM
1604
CG2
THR
83
−2.029
2.019
−9.057
1.00
0.00
PROT

ATOM
1605
HG21
THR
83
−1.107
1.973
−9.618
1.00
0.00
PROT

ATOM
1606
HG22
THR
83
−2.592
2.889
−9.359
1.00
0.00
PROT

ATOM
1607
HG23
THR
83
−2.661
1.129
−9.246
1.00
0.00
PROT

ATOM
1608
C
THR
83
−4.166
2.267
−7.040
1.00
0.00
PROT

ATOM
1609
O
THR
83
−5.064
2.842
−7.623
1.00
0.00
PROT

ATOM
1610
N
ASN
84
−4.341
1.070
−6.545
1.00
0.00
PROT

ATOM
1611
HN
ASN
84
−3.612
0.620
−6.070
1.00
0.00
PROT

ATOM
1612
CA
ASN
84
−5.666
0.405
−6.690
1.00
0.00
PROT

ATOM
1613
HA
ASN
84
−5.929
0.343
−7.735
1.00
0.00
PROT

ATOM
1614
CB
ASN
84
−5.475
−1.020
−6.114
1.00
0.00
PROT

ATOM
1615
HB1
ASN
84
−6.068
−1.713
−6.697
1.00
0.00
PROT

ATOM
1616
HB2
ASN
84
−4.432
−1.291
−6.193
1.00
0.00
PROT

ATOM
1617
CG
ASN
84
−5.902
−1.115
−4.636
1.00
0.00
PROT

ATOM
1618
OD1
ASN
84
−7.044
−0.865
−4.304
1.00
0.00
PROT

ATOM
1619
ND2
ASN
84
−5.032
−1.484
−3.739
1.00
0.00
PROT

ATOM
1620
HD21
ASN
84
−5.296
−1.548
−2.797
1.00
0.00
PROT

ATOM
1621
HD22
ASN
84
−4.111
−1.689
−4.004
1.00
0.00
PROT

ATOM
1622
C
ASN
84
−6.725
1.219
−5.938
1.00
0.00
PROT

ATOM
1623
O
ASN
84
−7.789
1.500
−6.452
1.00
0.00
PROT

ATOM
1624
N
CYS
85
−6.429
1.616
−4.727
1.00
0.00
PROT

ATOM
1625
HN
CYS
85
−5.558
1.390
−4.333
1.00
0.00
PROT

ATOM
1626
CA
CYS
85
−7.407
2.437
−3.960
1.00
0.00
PROT

ATOM
1627
HA
CYS
85
−8.278
1.850
−3.710
1.00
0.00
PROT

ATOM
1628
CB
CYS
85
−6.667
2.863
−2.690
1.00
0.00
PROT

ATOM
1629
HB1
CYS
85
−7.062
3.805
−2.342
1.00
0.00
PROT

ATOM
1630
HB2
CYS
85
−5.615
2.973
−2.906
1.00
0.00
PROT

ATOM
1631
SG
CYS
85
−6.897
1.605
−1.409
1.00
0.00
PROT

ATOM
1632
HG
CYS
85
−6.090
1.088
−1.353
1.00
0.00
PROT

ATOM
1633
C
CYS
85
−7.804
3.659
−4.787
1.00
0.00
PROT

ATOM
1634
O
CYS
85
−8.959
3.871
−5.072
1.00
0.00
PROT

ATOM
1635
N
LYS
86
−6.847
4.433
−5.219
1.00
0.00
PROT

ATOM
1636
HN
LYS
86
−5.915
4.232
−4.996
1.00
0.00
PROT

ATOM
1637
CA
LYS
86
−7.174
5.616
−6.064
1.00
0.00
PROT

ATOM
1638
HA
LYS
86
−7.808
6.303
−5.524
1.00
0.00
PROT

ATOM
1639
CB
LYS
86
−5.823
6.263
−6.367
1.00
0.00
PROT

ATOM
1640
HB1
LYS
86
−5.174
5.538
−6.837
1.00
0.00
PROT

ATOM
1641
HB2
LYS
86
−5.966
7.102
−7.031
1.00
0.00
PROT

ATOM
1642
CG
LYS
86
−5.189
6.745
−5.062
1.00
0.00
PROT

ATOM
1643
HG1
LYS
86
−5.557
6.147
−4.241
1.00
0.00
PROT

ATOM
1644
HG2
LYS
86
−4.115
6.647
−5.125
1.00
0.00
PROT

ATOM
1645
CD
LYS
86
−5.557
8.212
−4.829
1.00
0.00
PROT

ATOM
1646
HD1
LYS
86
−6.383
8.270
−4.136
1.00
0.00
PROT

ATOM
1647
HD2
LYS
86
−5.841
8.665
−5.767
1.00
0.00
PROT

ATOM
1648
CE
LYS
86
−4.351
8.953
−4.250
1.00
0.00
PROT

ATOM
1649
HE1
LYS
86
−3.545
8.261
−4.050
1.00
0.00
PROT

ATOM
1650
HE2
LYS
86
−4.630
9.477
−3.347
1.00
0.00
PROT

ATOM
1651
NZ
LYS
86
−3.952
9.921
−5.310
1.00
0.00
PROT

ATOM
1652
HZ1
LYS
86
−3.914
9.433
−6.228
1.00
0.00
PROT

ATOM
1653
HZ2
LYS
86
−3.015
10.313
−5.087
1.00
0.00
PROT

ATOM
1654
HZ3
LYS
86
−4.649
10.692
−5.355
1.00
0.00
PROT

ATOM
1655
C
LYS
86
−7.855
5.163
−7.360
1.00
0.00
PROT

ATOM
1656
O
LYS
86
−8.543
5.924
−8.012
1.00
0.00
PROT

ATOM
1657
N
GLU
87
−7.671
3.924
−7.734
1.00
0.00
PROT

ATOM
1658
HN
GLU
87
−7.112
3.329
−7.192
1.00
0.00
PROT

ATOM
1659
CA
GLU
87
−8.305
3.412
−8.981
1.00
0.00
PROT

ATOM
1660
HA
GLU
87
−7.975
3.985
−9.836
1.00
0.00
PROT

ATOM
1661
CB
GLU
87
−7.819
1.964
−9.088
1.00
0.00
PROT

ATOM
1662
HB1
GLU
87
−6.936
1.836
−8.480
1.00
0.00
PROT

ATOM
1663
HB2
GLU
87
−8.594
1.295
−8.740
1.00
0.00
PROT

ATOM
1664
CG
GLU
87
−7.485
1.638
−10.544
1.00
0.00
PROT

ATOM
1665
HG1
GLU
87
−7.780
2.463
−11.176
1.00
0.00
PROT

ATOM
1666
HG2
GLU
87
−8.016
0.747
−10.843
1.00
0.00
PROT

ATOM
1667
CD
GLU
87
−5.980
1.403
−10.680
1.00
0.00
PROT

ATOM
1668
OE1
GLU
87
−5.228
2.317
−10.382
1.00
0.00
PROT

ATOM
1669
OE2
GLU
87
−5.604
0.312
−11.074
1.00
0.00
PROT

ATOM
1670
C
GLU
87
−9.831
3.452
−8.864
1.00
0.00
PROT

ATOM
1671
O
GLU
87
−10.529
3.767
−9.807
1.00
0.00
PROT

ATOM
1672
N
TYR
88
−10.352
3.133
−7.711
1.00
0.00
PROT

ATOM
1673
HN
TYR
88
−9.768
2.870
−6.970
1.00
0.00
PROT

ATOM
1674
CA
TYR
88
−11.833
3.129
−7.530
1.00
0.00
PROT

ATOM
1675
HA
TYR
88
−12.324
3.399
−8.453
1.00
0.00
PROT

ATOM
1676
CB
TYR
88
−12.153
1.671
−7.162
1.00
0.00
PROT

ATOM
1677
HB1
TYR
88
−12.049
1.052
−8.041
1.00
0.00
PROT

ATOM
1678
HB2
TYR
88
−11.460
1.335
−6.405
1.00
0.00
PROT

ATOM
1679
CG
TYR
88
−13.564
1.553
−6.634
1.00
0.00
PROT

ATOM
1680
CD1
TYR
88
−14.640
2.046
−7.380
1.00
0.00
PROT

ATOM
1681
HD1
TYR
88
−14.465
2.512
−8.339
1.00
0.00
PROT

ATOM
1682
CD2
TYR
88
−13.790
0.950
−5.392
1.00
0.00
PROT

ATOM
1683
HD2
TYR
88
−12.958
0.571
−4.817
1.00
0.00
PROT

ATOM
1684
CE1
TYR
88
−15.944
1.934
−6.883
1.00
0.00
PROT

ATOM
1685
HE1
TYR
88
−16.775
2.313
−7.459
1.00
0.00
PROT

ATOM
1686
CE2
TYR
88
−15.091
0.840
−4.895
1.00
0.00
PROT

ATOM
1687
HE2
TYR
88
−15.262
0.372
−3.939
1.00
0.00
PROT

ATOM
1688
CZ
TYR
88
−16.170
1.330
−5.640
1.00
0.00
PROT

ATOM
1689
OH
TYR
88
−17.455
1.219
−5.149
1.00
0.00
PROT

ATOM
1690
HH
TYR
88
−18.049
1.106
−5.895
1.00
0.00
PROT

ATOM
1691
C
TYR
88
−12.244
4.092
−6.402
1.00
0.00
PROT

ATOM
1692
O
TYR
88
−13.395
4.460
−6.280
1.00
0.00
PROT

ATOM
1693
N
ASN
89
−11.311
4.498
−5.582
1.00
0.00
PROT

ATOM
1694
HN
ASN
89
−10.393
4.178
−5.695
1.00
0.00
PROT

ATOM
1695
CA
ASN
89
−11.633
5.425
−4.454
1.00
0.00
PROT

ATOM
1696
HA
ASN
89
−12.102
4.887
−3.643
1.00
0.00
PROT

ATOM
1697
CB
ASN
89
−10.276
5.982
−4.013
1.00
0.00
PROT

ATOM
1698
HB1
ASN
89
−9.588
5.946
−4.843
1.00
0.00
PROT

ATOM
1699
HB2
ASN
89
−10.397
7.007
−3.695
1.00
0.00
PROT

ATOM
1700
CG
ASN
89
−9.715
5.156
−2.852
1.00
0.00
PROT

ATOM
1701
OD1
ASN
89
−8.962
5.662
−2.045
1.00
0.00
PROT

ATOM
1702
ND2
ASN
89
−10.032
3.896
−2.740
1.00
0.00
PROT

ATOM
1703
HD21
ASN
89
−9.667
3.366
−2.001
1.00
0.00
PROT

ATOM
1704
HD22
ASN
89
−10.635
3.481
−3.391
1.00
0.00
PROT

ATOM
1705
C
ASN
89
−12.527
6.579
−4.921
1.00
0.00
PROT

ATOM
1706
O
ASN
89
−12.553
6.904
−6.091
1.00
0.00
PROT

ATOM
1707
N
PRO
90
−13.220
7.179
−3.983
1.00
0.00
PROT

ATOM
1708
CA
PRO
90
−14.089
8.334
−4.311
1.00
0.00
PROT

ATOM
1709
HA
PRO
90
−14.903
8.033
−4.943
1.00
0.00
PROT

ATOM
1710
CB
PRO
90
−14.615
8.801
−2.954
1.00
0.00
PROT

ATOM
1711
HB1
PRO
90
−14.055
9.655
−2.612
1.00
0.00
PROT

ATOM
1712
HB2
PRO
90
−15.664
9.044
−3.023
1.00
0.00
PROT

ATOM
1713
CG
PRO
90
−14.411
7.644
−2.028
1.00
0.00
PROT

ATOM
1714
HG1
PRO
90
−14.206
8.003
−1.031
1.00
0.00
PROT

ATOM
1715
HG2
PRO
90
−15.291
7.018
−2.022
1.00
0.00
PROT

ATOM
1716
CD
PRO
90
−13.233
6.870
−2.547
1.00
0.00
PROT

ATOM
1717
HD2
PRO
90
−13.375
5.811
−2.388
1.00
0.00
PROT

ATOM
1718
HD1
PRO
90
−12.320
7.207
−2.078
1.00
0.00
PROT

ATOM
1719
C
PRO
90
−13.255
9.435
−4.976
1.00
0.00
PROT

ATOM
1720
O
PRO
90
−12.044
9.364
−4.985
1.00
0.00
PROT

ATOM
1721
N
PRO
91
−13.920
10.415
−5.529
1.00
0.00
PROT

ATOM
1722
CA
PRO
91
−13.192
11.542
−6.157
1.00
0.00
PROT

ATOM
1723
HA
PRO
91
−12.548
11.189
−6.949
1.00
0.00
PROT

ATOM
1724
CB
PRO
91
−14.298
12.444
−6.713
1.00
0.00
PROT

ATOM
1725
HB1
PRO
91
−14.390
13.335
−6.110
1.00
0.00
PROT

ATOM
1726
HB2
PRO
91
−14.083
12.709
−7.738
1.00
0.00
PROT

ATOM
1727
CG
PRO
91
−15.561
11.638
−6.642
1.00
0.00
PROT

ATOM
1728
HG1
PRO
91
−15.740
11.151
−7.589
1.00
0.00
PROT

ATOM
1729
HG2
PRO
91
−16.394
12.279
−6.394
1.00
0.00
PROT

ATOM
1730
CD
PRO
91
−15.372
10.606
−5.565
1.00
0.00
PROT

ATOM
1731
HD2
PRO
91
−15.870
9.685
−5.829
1.00
0.00
PROT

ATOM
1732
HD1
PRO
91
−15.731
10.976
−4.616
1.00
0.00
PROT

ATOM
1733
C
PRO
91
−12.386
12.274
−5.083
1.00
0.00
PROT

ATOM
1734
O
PRO
91
−11.242
12.636
−5.276
1.00
0.00
PROT

ATOM
1735
N
GLU
92
−12.984
12.463
−3.940
1.00
0.00
PROT

ATOM
1736
HN
GLU
92
−13.902
12.142
−3.819
1.00
0.00
PROT

ATOM
1737
CA
GLU
92
−12.291
13.137
−2.805
1.00
0.00
PROT

ATOM
1738
HA
GLU
92
−11.390
12.603
−2.540
1.00
0.00
PROT

ATOM
1739
CB
GLU
92
−11.956
14.546
−3.302
1.00
0.00
PROT

ATOM
1740
HB1
GLU
92
−12.754
15.222
−3.303
1.00
0.00
PROT

ATOM
1741
HB2
GLU
92
−11.841
14.534
−4.375
1.00
0.00
PROT

ATOM
1742
CG
GLU
92
−10.650
15.014
−2.653
1.00
0.00
PROT

ATOM
1743
HG1
GLU
92
−9.920
15.220
−3.442
1.00
0.00
PROT

ATOM
1744
HG2
GLU
92
−10.274
14.240
−1.998
1.00
0.00
PROT

ATOM
1745
CD
GLU
92
−10.910
16.285
−1.843
1.00
0.00
PROT

ATOM
1746
OE1
GLU
92
−10.924
17.350
−2.437
1.00
0.00
PROT

ATOM
1747
OE2
GLU
92
−11.089
16.172
−0.641
1.00
0.00
PROT

ATOM
1748
C
GLU
92
−13.247
13.203
−1.615
1.00
0.00
PROT

ATOM
1749
O
GLU
92
−13.531
14.259
−1.087
1.00
0.00
PROT

ATOM
1750
N
SER
93
−13.786
12.079
−1.225
1.00
0.00
PROT

ATOM
1751
HN
SER
93
−13.554
11.245
−1.680
1.00
0.00
PROT

ATOM
1752
CA
SER
93
−14.767
12.067
−0.106
1.00
0.00
PROT

ATOM
1753
HA
SER
93
−15.148
13.059
0.067
1.00
0.00
PROT

ATOM
1754
CB
SER
93
−15.893
11.146
−0.584
1.00
0.00
PROT

ATOM
1755
HB1
SER
93
−15.602
10.116
−0.438
1.00
0.00
PROT

ATOM
1756
HB2
SER
93
−16.081
11.322
−1.632
1.00
0.00
PROT

ATOM
1757
OG
SER
93
−17.072
11.414
0.161
1.00
0.00
PROT

ATOM
1758
HG
SER
93
−17.698
10.707
−0.011
1.00
0.00
PROT

ATOM
1759
C
SER
93
−14.138
11.515
1.170
1.00
0.00
PROT

ATOM
1760
O
SER
93
−14.011
12.212
2.157
1.00
0.00
PROT

ATOM
1761
N
GLU
94
−13.765
10.264
1.176
1.00
0.00
PROT

ATOM
1762
HN
GLU
94
−13.882
9.706
0.370
1.00
0.00
PROT

ATOM
1763
CA
GLU
94
−13.170
9.689
2.417
1.00
0.00
PROT

ATOM
1764
HA
GLU
94
−12.742
10.472
3.022
1.00
0.00
PROT

ATOM
1765
CB
GLU
94
−14.346
9.044
3.150
1.00
0.00
PROT

ATOM
1766
HB1
GLU
94
−15.248
9.192
2.577
1.00
0.00
PROT

ATOM
1767
HB2
GLU
94
−14.163
7.986
3.268
1.00
0.00
PROT

ATOM
1768
CG
GLU
94
−14.506
9.692
4.527
1.00
0.00
PROT

ATOM
1769
HG1
GLU
94
−14.319
10.753
4.449
1.00
0.00
PROT

ATOM
1770
HG2
GLU
94
−15.511
9.529
4.888
1.00
0.00
PROT

ATOM
1771
CD
GLU
94
−13.506
9.070
5.505
1.00
0.00
PROT

ATOM
1772
OE1
GLU
94
−13.835
8.052
6.091
1.00
0.00
PROT

ATOM
1773
OE2
GLU
94
−12.429
9.624
5.652
1.00
0.00
PROT

ATOM
1774
C
GLU
94
−12.114
8.639
2.083
1.00
0.00
PROT

ATOM
1775
O
GLU
94
−11.068
8.579
2.697
1.00
0.00
PROT

ATOM
1776
N
TYR
95
−12.387
7.795
1.131
1.00
0.00
PROT

ATOM
1777
HN
TYR
95
−13.236
7.862
0.646
1.00
0.00
PROT

ATOM
1778
CA
TYR
95
−11.394
6.747
0.768
1.00
0.00
PROT

ATOM
1779
HA
TYR
95
−11.000
6.278
1.657
1.00
0.00
PROT

ATOM
1780
CB
TYR
95
−12.180
5.731
−0.064
1.00
0.00
PROT

ATOM
1781
HB1
TYR
95
−11.681
5.577
−1.010
1.00
0.00
PROT

ATOM
1782
HB2
TYR
95
−13.178
6.104
−0.239
1.00
0.00
PROT

ATOM
1783
CG
TYR
95
−12.255
4.421
0.683
1.00
0.00
PROT

ATOM
1784
CD1
TYR
95
−13.277
4.205
1.617
1.00
0.00
PROT

ATOM
1785
HD1
TYR
95
−14.011
4.975
1.801
1.00
0.00
PROT

ATOM
1786
CD2
TYR
95
−11.303
3.422
0.445
1.00
0.00
PROT

ATOM
1787
HD2
TYR
95
−10.516
3.589
−0.273
1.00
0.00
PROT

ATOM
1788
CE1
TYR
95
−13.346
2.991
2.310
1.00
0.00
PROT

ATOM
1789
HE1
TYR
95
−14.134
2.824
3.030
1.00
0.00
PROT

ATOM
1790
CE2
TYR
95
−11.373
2.208
1.139
1.00
0.00
PROT

ATOM
1791
HE2
TYR
95
−10.638
1.438
0.954
1.00
0.00
PROT

ATOM
1792
CZ
TYR
95
−12.394
1.992
2.071
1.00
0.00
PROT

ATOM
1793
OH
TYR
95
−12.461
0.796
2.755
1.00
0.00
PROT

ATOM
1794
HH
TYR
95
−11.566
0.536
2.985
1.00
0.00
PROT

ATOM
1795
C
TYR
95
−10.263
7.359
−0.058
1.00
0.00
PROT

ATOM
1796
O
TYR
95
−9.128
6.931
0.009
1.00
0.00
PROT

ATOM
1797
N
TYR
96
−10.562
8.375
−0.818
1.00
0.00
PROT

ATOM
1798
HN
TYR
96
−11.485
8.704
−0.854
1.00
0.00
PROT

ATOM
1799
CA
TYR
96
−9.511
9.020
−1.652
1.00
0.00
PROT

ATOM
1800
HA
TYR
96
−8.931
8.273
−2.171
1.00
0.00
PROT

ATOM
1801
CB
TYR
96
−10.287
9.877
−2.650
1.00
0.00
PROT

ATOM
1802
HB1
TYR
96
−10.677
10.750
−2.148
1.00
0.00
PROT

ATOM
1803
HB2
TYR
96
−11.103
9.301
−3.054
1.00
0.00
PROT

ATOM
1804
CG
TYR
96
−9.365
10.308
−3.766
1.00
0.00
PROT

ATOM
1805
CD1
TYR
96
−8.796
11.587
−3.747
1.00
0.00
PROT

ATOM
1806
HD1
TYR
96
−9.018
12.265
−2.937
1.00
0.00
PROT

ATOM
1807
CD2
TYR
96
−9.077
9.428
−4.816
1.00
0.00
PROT

ATOM
1808
HD2
TYR
96
−9.515
8.441
−4.830
1.00
0.00
PROT

ATOM
1809
CE1
TYR
96
−7.940
11.987
−4.780
1.00
0.00
PROT

ATOM
1810
HE1
TYR
96
−7.502
12.974
−4.766
1.00
0.00
PROT

ATOM
1811
CE2
TYR
96
−8.221
9.829
−5.849
1.00
0.00
PROT

ATOM
1812
HE2
TYR
96
−7.999
9.151
−6.660
1.00
0.00
PROT

ATOM
1813
CZ
TYR
96
−7.652
11.108
−5.831
1.00
0.00
PROT

ATOM
1814
OH
TYR
96
−6.808
11.503
−6.850
1.00
0.00
PROT

ATOM
1815
HH
TYR
96
−6.254
12.213
−6.519
1.00
0.00
PROT

ATOM
1816
C
TYR
96
−8.603
9.905
−0.798
1.00
0.00
PROT

ATOM
1817
O
TYR
96
−7.535
10.294
−1.220
1.00
0.00
PROT

ATOM
1818
N
LYS
97
−9.023
10.241
0.390
1.00
0.00
PROT

ATOM
1819
HN
LYS
97
−9.895
9.929
0.709
1.00
0.00
PROT

ATOM
1820
CA
LYS
97
−8.186
11.122
1.253
1.00
0.00
PROT

ATOM
1821
HA
LYS
97
−7.766
11.928
0.669
1.00
0.00
PROT

ATOM
1822
CB
LYS
97
−9.156
11.675
2.300
1.00
0.00
PROT

ATOM
1823
HB1
LYS
97
−9.527
10.864
2.910
1.00
0.00
PROT

ATOM
1824
HB2
LYS
97
−8.641
12.388
2.926
1.00
0.00
PROT

ATOM
1825
CG
LYS
97
−10.330
12.364
1.599
1.00
0.00
PROT

ATOM
1826
HG1
LYS
97
−11.167
11.683
1.545
1.00
0.00
PROT

ATOM
1827
HG2
LYS
97
−10.034
12.652
0.602
1.00
0.00
PROT

ATOM
1828
CD
LYS
97
−10.735
13.609
2.391
1.00
0.00
PROT

ATOM
1829
HD1
LYS
97
−11.605
14.058
1.936
1.00
0.00
PROT

ATOM
1830
HD2
LYS
97
−10.965
13.329
3.408
1.00
0.00
PROT

ATOM
1831
CE
LYS
97
−9.581
14.613
2.387
1.00
0.00
PROT

ATOM
1832
HE1
LYS
97
−8.897
14.402
3.195
1.00
0.00
PROT

ATOM
1833
HE2
LYS
97
−9.064
14.588
1.439
1.00
0.00
PROT

ATOM
1834
NZ
LYS
97
−10.229
15.939
2.589
1.00
0.00
PROT

ATOM
1835
HZ1
LYS
97
−10.831
16.159
1.769
1.00
0.00
PROT

ATOM
1836
HZ2
LYS
97
−9.498
16.671
2.688
1.00
0.00
PROT

ATOM
1837
HZ3
LYS
97
−10.813
15.913
3.450
1.00
0.00
PROT

ATOM
1838
C
LYS
97
−7.075
10.316
1.934
1.00
0.00
PROT

ATOM
1839
O
LYS
97
−6.083
10.862
2.376
1.00
0.00
PROT

ATOM
1840
N
CYS
98
−7.235
9.024
2.029
1.00
0.00
PROT

ATOM
1841
HN
CYS
98
−8.045
8.604
1.675
1.00
0.00
PROT

ATOM
1842
CA
CYS
98
−6.196
8.189
2.699
1.00
0.00
PROT

ATOM
1843
HA
CYS
98
−5.857
8.667
3.606
1.00
0.00
PROT

ATOM
1844
CB
CYS
98
−6.901
6.874
3.024
1.00
0.00
PROT

ATOM
1845
HB1
CYS
98
−6.210
6.209
3.518
1.00
0.00
PROT

ATOM
1846
HB2
CYS
98
−7.244
6.419
2.109
1.00
0.00
PROT

ATOM
1847
SG
CYS
98
−8.314
7.196
4.110
1.00
0.00
PROT

ATOM
1848
HG
CYS
98
−9.117
7.036
3.608
1.00
0.00
PROT

ATOM
1849
C
CYS
98
−5.018
7.927
1.762
1.00
0.00
PROT

ATOM
1850
O
CYS
98
−3.923
8.407
1.980
1.00
0.00
PROT

ATOM
1851
N
ALA
99
−5.225
7.160
0.721
1.00
0.00
PROT

ATOM
1852
HN
ALA
99
−6.115
6.776
0.561
1.00
0.00
PROT

ATOM
1853
CA
ALA
99
−4.104
6.863
−0.219
1.00
0.00
PROT

ATOM
1854
HA
ALA
99
−3.401
6.186
0.243
1.00
0.00
PROT

ATOM
1855
CB
ALA
99
−4.764
6.193
−1.425
1.00
0.00
PROT

ATOM
1856
HB1
ALA
99
−5.133
6.951
−2.100
1.00
0.00
PROT

ATOM
1857
HB2
ALA
99
−5.587
5.578
−1.087
1.00
0.00
PROT

ATOM
1858
HB3
ALA
99
−4.037
5.576
−1.936
1.00
0.00
PROT

ATOM
1859
C
ALA
99
−3.399
8.157
−0.633
1.00
0.00
PROT

ATOM
1860
O
ALA
99
−2.235
8.157
−0.977
1.00
0.00
PROT

ATOM
1861
N
ASN
100
−4.084
9.266
−0.565
1.00
0.00
PROT

ATOM
1862
HN
ASN
100
−5.017
9.249
−0.268
1.00
0.00
PROT

ATOM
1863
CA
ASN
100
−3.437
10.562
−0.910
1.00
0.00
PROT

ATOM
1864
HA
ASN
100
−2.916
10.487
−1.852
1.00
0.00
PROT

ATOM
1865
CB
ASN
100
−4.588
11.563
−1.010
1.00
0.00
PROT

ATOM
1866
HB1
ASN
100
−4.519
12.272
−0.198
1.00
0.00
PROT

ATOM
1867
HB2
ASN
100
−5.526
11.037
−0.947
1.00
0.00
PROT

ATOM
1868
CG
ASN
100
−4.506
12.305
−2.344
1.00
0.00
PROT

ATOM
1869
OD1
ASN
100
−5.292
12.061
−3.237
1.00
0.00
PROT

ATOM
1870
ND2
ASN
100
−3.581
13.208
−2.516
1.00
0.00
PROT

ATOM
1871
HD21
ASN
100
−3.519
13.691
−3.367
1.00
0.00
PROT

ATOM
1872
HD22
ASN
100
−2.947
13.405
−1.794
1.00
0.00
PROT

ATOM
1873
C
ASN
100
−2.478
10.971
0.208
1.00
0.00
PROT

ATOM
1874
O
ASN
100
−1.321
11.258
−0.024
1.00
0.00
PROT

ATOM
1875
N
ILE
101
−2.954
10.991
1.424
1.00
0.00
PROT

ATOM
1876
HN
ILE
101
−3.889
10.748
1.588
1.00
0.00
PROT

ATOM
1877
CA
ILE
101
−2.072
11.364
2.564
1.00
0.00
PROT

ATOM
1878
HA
ILE
101
−1.648
12.345
2.407
1.00
0.00
PROT

ATOM
1879
CB
ILE
101
−2.994
11.369
3.786
1.00
0.00
PROT

ATOM
1880
HB
ILE
101
−3.503
10.419
3.857
1.00
0.00
PROT

ATOM
1881
CG1
ILE
101
−4.025
12.490
3.639
1.00
0.00
PROT

ATOM
1882
HG11
ILE
101
−3.553
13.442
3.836
1.00
0.00
PROT

ATOM
1883
HG12
ILE
101
−4.420
12.486
2.634
1.00
0.00
PROT

ATOM
1884
CG2
ILE
101
−2.169
11.603
5.054
1.00
0.00
PROT

ATOM
1885
HG21
ILE
101
−2.822
11.606
5.914
1.00
0.00
PROT

ATOM
1886
HG22
ILE
101
−1.662
12.553
4.984
1.00
0.00
PROT

ATOM
1887
HG23
ILE
101
−1.439
10.813
5.160
1.00
0.00
PROT

ATOM
1888
CD1
ILE
101
−5.164
12.270
4.635
1.00
0.00
PROT

ATOM
1889
HD11
ILE
101
−5.483
11.239
4.596
1.00
0.00
PROT

ATOM
1890
HD12
ILE
101
−5.994
12.913
4.382
1.00
0.00
PROT

ATOM
1891
HD13
ILE
101
−4.820
12.502
5.632
1.00
0.00
PROT

ATOM
1892
C
ILE
101
−0.964
10.323
2.728
1.00
0.00
PROT

ATOM
1893
O
ILE
101
−0.207
10.645
2.711
1.00
0.00
PROT

ATOM
1894
N
LEU
102
−1.319
9.072
2.865
1.00
0.00
PROT

ATOM
1895
HN
LEU
102
−2.271
8.824
2.873
1.00
0.00
PROT

ATOM
1896
CA
LEU
102
−0.274
8.021
3.011
1.00
0.00
PROT

ATOM
1897
HA
LEU
102
−0.219
8.110
3.967
1.00
0.00
PROT

ATOM
1898
CB
LEU
102
−1.037
6.700
2.926
1.00
0.00
PROT

ATOM
1899
HB1
LEU
102
−2.068
6.894
2.670
1.00
0.00
PROT

ATOM
1900
HB2
LEU
102
−0.588
6.073
2.170
1.00
0.00
PROT

ATOM
1901
CG
LEU
102
−0.972
5.993
4.279
1.00
0.00
PROT

ATOM
1902
HG
LEU
102
−1.350
6.650
5.048
1.00
0.00
PROT

ATOM
1903
CD1
LEU
102
−1.820
4.724
4.229
1.00
0.00
PROT

ATOM
1904
HD11
LEU
102
−2.052
4.406
5.233
1.00
0.00
PROT

ATOM
1905
HD12
LEU
102
−1.272
3.944
3.721
1.00
0.00
PROT

ATOM
1906
HD13
LEU
102
−2.738
4.925
3.694
1.00
0.00
PROT

ATOM
1907
CD2
LEU
102
0.480
5.624
4.589
1.00
0.00
PROT

ATOM
1908
HD21
LEU
102
0.500
4.808
5.295
1.00
0.00
PROT

ATOM
1909
HD22
LEU
102
0.986
6.479
5.012
1.00
0.00
PROT

ATOM
1910
HD23
LEU
102
0.978
5.325
3.678
1.00
0.00
PROT

ATOM
1911
C
LEU
102
0.743
8.123
1.872
1.00
0.00
PROT

ATOM
1912
O
LEU
102
1.936
8.165
2.094
1.00
0.00
PROT

ATOM
1913
N
GLU
103
0.276
8.181
0.654
1.00
0.00
PROT

ATOM
1914
HN
GLU
103
0.691
8.152
0.499
1.00
0.00
PROT

ATOM
1915
CA
GLU
103
1.210
8.293
−0.503
1.00
0.00
PROT

ATOM
1916
HA
GLU
103
1.759
7.373
−0.634
1.00
0.00
PROT

ATOM
1917
CB
GLU
103
0.299
8.550
−1.710
1.00
0.00
PROT

ATOM
1918
HB1
GLU
103
−0.341
9.394
−1.500
1.00
0.00
PROT

ATOM
1919
HB2
GLU
103
−0.308
7.676
−1.891
1.00
0.00
PROT

ATOM
1920
CG
GLU
103
1.141
8.849
−2.956
1.00
0.00
PROT

ATOM
1921
HG1
GLU
103
0.519
9.318
−3.704
1.00
0.00
PROT

ATOM
1922
HG2
GLU
103
1.953
9.513
−2.698
1.00
0.00
PROT

ATOM
1923
CD
GLU
103
−1.706
7.542
−3.515
1.00
0.00
PROT

ATOM
1924
OE1
GLU
103
2.718
7.600
−4.195
1.00
0.00
PROT

ATOM
1925
OE2
GLU
103
1.120
6.506
−3.252
1.00
0.00
PROT

ATOM
1926
C
GLU
103
2.169
9.467
−0.297
1.00
0.00
PROT

ATOM
1927
O
GLU
103
3.361
9.349
−0.491
1.00
0.00
PROT

ATOM
1928
N
LYS
104
1.653
10.603
0.079
1.00
0.00
PROT

ATOM
1929
HN
LYS
104
0.686
10.682
0.213
1.00
0.00
PROT

ATOM
1930
CA
LYS
104
2.524
11.793
0.271
1.00
0.00
PROT

ATOM
1931
HA
LYS
104
3.076
12.000
−0.632
1.00
0.00
PROT

ATOM
1932
CB
LYS
104
1.549
12.929
0.565
1.00
0.00
PROT

ATOM
1933
HB1
LYS
104
2.101
13.808
0.863
1.00
0.00
PROT

ATOM
1934
HB2
LYS
104
0.881
12.635
1.360
1.00
0.00
PROT

ATOM
1935
CG
LYS
104
0.741
13.235
−0.695
1.00
0.00
PROT

ATOM
1936
HG1
LYS
104
0.739
12.372
−1.343
1.00
0.00
PROT

ATOM
1937
HG2
LYS
104
−0.271
13.480
−0.420
1.00
0.00
PROT

ATOM
1938
CD
LYS
104
1.373
14.417
−1.423
1.00
0.00
PROT

ATOM
1939
HD1
LYS
104
2.032
14.936
−0.747
1.00
0.00
PROT

ATOM
1940
HD2
LYS
104
1.934
14.061
−2.274
1.00
0.00
PROT

ATOM
1941
CE
LYS
104
0.276
15.368
−1.892
1.00
0.00
PROT

ATOM
1942
HE1
LYS
104
−0.562
15.327
−1.216
1.00
0.00
PROT

ATOM
1943
HE2
LYS
104
−0.035
15.120
−2.896
1.00
0.00
PROT

ATOM
1944
NZ
LYS
104
0.902
16.720
−1.860
1.00
0.00
PROT

ATOM
1945
HZ1
LYS
104
0.941
17.061
−0.879
1.00
0.00
PROT

ATOM
1946
HZ2
LYS
104
0.336
17.378
−2.434
1.00
0.00
PROT

ATOM
1947
HZ3
LYS
104
1.866
16.665
−2.247
1.00
0.00
PROT

ATOM
1948
C
LYS
104
3.475
11.596
1.454
1.00
0.00
PROT

ATOM
1949
O
LYS
104
4.632
11.963
1.399
1.00
0.00
PROT

ATOM
1950
N
PHE
105
2.990
11.042
2.531
1.00
0.00
PROT

ATOM
1951
HN
PHE
105
2.049
10.771
2.561
1.00
0.00
PROT

ATOM
1952
CA
PHE
105
3.856
10.863
3.731
1.00
0.00
PROT

ATOM
1953
HA
PHE
105
4.327
11.799
3.992
1.00
0.00
PROT

ATOM
1954
CB
PHE
105
2.897
10.429
4.841
1.00
0.00
PROT

ATOM
1955
HB1
PHE
105
3.366
9.666
5.445
1.00
0.00
PROT

ATOM
1956
HB2
PHE
105
1.992
10.035
4.402
1.00
0.00
PROT

ATOM
1957
CG
PHE
105
2.560
11.620
5.706
1.00
0.00
PROT

ATOM
1958
CD1
PHE
105
1.521
12.482
5.336
1.00
0.00
PROT

ATOM
1959
HD1
PHE
105
0.960
12.295
4.433
1.00
0.00
PROT

ATOM
1960
CD2
PHE
105
3.288
11.863
6.877
1.00
0.00
PROT

ATOM
1961
HD2
PHE
105
4.090
11.198
7.162
1.00
0.00
PROT

ATOM
1962
CE1
PHE
105
1.210
13.587
6.137
1.00
0.00
PROT

ATOM
1963
HE1
PHE
105
0.408
14.252
5.851
1.00
0.00
PROT

ATOM
1964
CE2
PHE
105
2.977
12.969
7.678
1.00
0.00
PROT

ATOM
1965
HE2
PHE
105
3.538
13.156
8.581
1.00
0.00
PROT

ATOM
1966
CZ
PHE
105
1.938
13.830
7.308
1.00
0.00
PROT

ATOM
1967
HZ
PHE
105
1.697
14.683
7.926
1.00
0.00
PROT

ATOM
1968
C
PHE
105
4.918
9.785
3.494
1.00
0.00
PROT

ATOM
1969
O
PHE
105
6.093
10.006
3.711
1.00
0.00
PROT

ATOM
1970
N
PHE
106
4.521
8.614
3.075
1.00
0.00
PROT

ATOM
1971
HN
PHE
106
3.568
8.444
2.918
1.00
0.00
PROT

ATOM
1972
CA
PHE
106
5.521
7.527
2.866
1.00
0.00
PROT

ATOM
1973
HA
PHE
106
6.096
7.393
3.768
1.00
0.00
PROT

ATOM
1974
CB
PHE
106
4.675
6.251
2.606
1.00
0.00
PROT

ATOM
1975
HB1
PHE
106
3.663
6.429
2.936
1.00
0.00
PROT

ATOM
1976
HB2
PHE
106
5.091
5.435
3.179
1.00
0.00
PROT

ATOM
1977
CG
PHE
106
4.650
5.857
1.140
1.00
0.00
PROT

ATOM
1978
CD1
PHE
106
3.890
6.595
0.228
1.00
0.00
PROT

ATOM
1979
HD1
PHE
106
3.318
7.444
0.567
1.00
0.00
PROT

ATOM
1980
CD2
PHE
106
5.391
4.752
0.701
1.00
0.00
PROT

ATOM
1981
HD2
PHE
106
5.979
4.182
1.406
1.00
0.00
PROT

ATOM
1982
CE1
PHE
106
3.868
6.230
−1.123
1.00
0.00
PROT

ATOM
1983
HE1
PHE
106
3.282
6.800
−1.826
1.00
0.00
PROT

ATOM
1984
CE2
PHE
106
5.370
4.387
−0.650
1.00
0.00
PROT

ATOM
1985
HE2
PHE
106
5.942
3.536
−0.988
1.00
0.00
PROT

ATOM
1986
CZ
PHE
106
4.609
5.126
−1.562
1.00
0.00
PROT

ATOM
1987
HZ
PHE
106
4.593
4.845
−2.605
1.00
0.00
PROT

ATOM
1988
C
PHE
106
6.470
7.884
1.708
1.00
0.00
PROT

ATOM
1989
O
PHE
106
7.540
7.326
1.584
1.00
0.00
PROT

ATOM
1990
N
PHE
107
6.088
8.813
0.872
1.00
0.00
PROT

ATOM
1991
HN
PHE
107
5.223
9.256
0.994
1.00
0.00
PROT

ATOM
1992
CA
PHE
107
6.970
9.200
−0.269
1.00
0.00
PROT

ATOM
1993
HA
PHE
107
7.128
8.358
−0.930
1.00
0.00
PROT

ATOM
1994
CB
PHE
107
6.212
10.316
−0.993
1.00
0.00
PROT

ATOM
1995
HB1
PHE
107
5.237
10.437
−0.549
1.00
0.00
PROT

ATOM
1996
HB2
PHE
107
6.763
11.241
−0.903
1.00
0.00
PROT

ATOM
1997
CG
PHE
107
6.061
9.964
−2.454
1.00
0.00
PROT

ATOM
1998
CD1
PHE
107
5.537
8.721
−2.826
1.00
0.00
PROT

ATOM
1999
HD1
PHE
107
5.244
8.010
−2.068
1.00
0.00
PROT

ATOM
2000
CD2
PHE
107
6.442
10.886
−3.437
1.00
0.00
PROT

ATOM
2001
HD2
PHE
107
6.845
11.846
−3.149
1.00
0.00
PROT

ATOM
2002
CE1
PHE
107
5.399
8.397
−4.181
1.00
0.00
PROT

ATOM
2003
HE1
PHE
107
4.996
7.437
−4.469
1.00
0.00
PROT

ATOM
2004
CE2
PHE
107
6.302
10.563
−4.791
1.00
0.00
PROT

ATOM
2005
HE2
PHE
107
6.597
11.274
−5.549
1.00
0.00
PROT

ATOM
2006
CZ
PHE
107
5.780
9.319
−5.164
1.00
0.00
PROT

ATOM
2007
HZ
PHE
107
5.672
9.070
−6.209
1.00
0.00
PROT

ATOM
2008
C
PHE
107
8.308
9.732
0.247
1.00
0.00
PROT

ATOM
2009
O
PHE
107
9.360
9.217
−0.078
1.00
0.00
PROT

ATOM
2010
N
SER
108
8.276
10.768
1.042
1.00
0.00
PROT

ATOM
2011
HN
SER
108
7.416
11.172
1.284
1.00
0.00
PROT

ATOM
2012
CA
SER
108
9.544
11.350
1.569
1.00
0.00
PROT

ATOM
2013
HA
SER
108
10.066
11.879
0.787
1.00
0.00
PROT

ATOM
2014
CB
SER
108
9.102
12.323
2.665
1.00
0.00
PROT

ATOM
2015
HB1
SER
108
8.031
12.456
2.619
1.00
0.00
PROT

ATOM
2016
HB2
SER
108
9.374
11.925
3.632
1.00
0.00
PROT

ATOM
2017
OG
SER
108
9.743
13.575
2.471
1.00
0.00
PROT

ATOM
2018
HG
SER
108
9.794
14.017
3.321
1.00
0.00
PROT

ATOM
2019
C
SER
108
10.438
10.257
2.159
1.00
0.00
PROT

ATOM
2020
O
SER
108
11.645
10.379
2.188
1.00
0.00
PROT

ATOM
2021
N
LYS
109
9.857
9.193
2.639
1.00
0.00
PROT

ATOM
2022
HN
LYS
109
8.884
9.107
2.602
1.00
0.00
PROT

ATOM
2023
CA
LYS
109
10.683
8.099
3.219
1.00
0.00
PROT

ATOM
2024
HA
LYS
109
11.483
8.510
3.814
1.00
0.00
PROT

ATOM
2025
CB
LYS
109
9.727
7.293
4.099
1.00
0.00
PROT

ATOM
2026
HB1
LYS
109
10.239
6.416
4.471
1.00
0.00
PROT

ATOM
2027
HB2
LYS
109
8.874
6.987
3.512
1.00
0.00
PROT

ATOM
2028
CG
LYS
109
9.252
8.150
5.282
1.00
0.00
PROT

ATOM
2029
HG1
LYS
109
8.653
8.969
4.911
1.00
0.00
PROT

ATOM
2030
HG2
LYS
109
8.655
7.542
5.944
1.00
0.00
PROT

ATOM
2031
CD
LYS
109
10.452
8.709
6.058
1.00
0.00
PROT

ATOM
2032
HD1
LYS
109
10.991
9.407
5.436
1.00
0.00
PROT

ATOM
2033
HD2
LYS
109
10.099
9.219
6.942
1.00
0.00
PROT

ATOM
2034
CE
LYS
109
11.383
7.566
6.472
1.00
0.00
PROT

ATOM
2035
HE1
LYS
109
12.320
7.632
5.938
1.00
0.00
PROT

ATOM
2036
HE2
LYS
109
10.911
6.612
6.290
1.00
0.00
PROT

ATOM
2037
NZ
LYS
109
11.604
7.766
7.932
1.00
0.00
PROT

ATOM
2038
HZ1
LYS
109
10.739
7.514
8.451
1.00
0.00
PROT

ATOM
2039
HZ2
LYS
109
11.838
8.763
8.114
1.00
0.00
PROT

ATOM
2040
HZ3
LYS
109
12.389
7.162
8.250
1.00
0.00
PROT

ATOM
2041
C
LYS
109
11.253
7.218
2.112
1.00
0.00
PROT

ATOM
2042
O
LYS
109
12.438
6.985
2.052
1.00
0.00
PROT

ATOM
2043
N
ILE
110
10.424
6.721
1.234
1.00
0.00
PROT

ATOM
2044
HN
ILE
110
9.467
6.904
1.303
1.00
0.00
PROT

ATOM
2045
CA
ILE
110
10.947
5.844
0.148
1.00
0.00
PROT

ATOM
2046
HA
ILE
110
11.404
4.968
0.576
1.00
0.00
PROT

ATOM
2047
CB
ILE
110
9.733
5.444
−0.695
1.00
0.00
PROT

ATOM
2048
HB
ILE
110
10.965
4.890
−1.556
1.00
0.00
PROT

ATOM
2049
CG1
ILE
110
8.981
6.688
−1.169
1.00
0.00
PROT

ATOM
2050
HG11
ILE
110
8.552
7.178
−0.330
1.00
0.00
PROT

ATOM
2051
HG12
ILE
110
9.667
7.365
−1.652
1.00
0.00
PROT

ATOM
2052
CG2
ILE
110
8.804
4.565
0.139
1.00
0.00
PROT

ATOM
2053
HG21
ILE
110
7.778
4.836
−0.058
1.00
0.00
PROT

ATOM
2054
HG22
ILE
110
9.020
4.706
1.187
1.00
0.00
PROT

ATOM
2055
HG23
ILE
110
8.961
3.529
−0.124
1.00
0.00
PROT

ATOM
2056
CD1
ILE
110
7.905
6.265
−2.166
1.00
0.00
PROT

ATOM
2057
HD11
ILE
110
8.373
5.809
−3.022
1.00
0.00
PROT

ATOM
2058
HD12
ILE
110
7.345
7.132
−2.480
1.00
0.00
PROT

ATOM
2059
HD13
ILE
110
7.239
5.555
−1.698
1.00
0.00
PROT

ATOM
2060
C
ILE
110
11.963
6.600
−0.707
1.00
0.00
PROT

ATOM
2061
O
ILE
110
12.936
6.040
−1.171
1.00
0.00
PROT

ATOM
2062
N
LYS
111
11.748
7.867
−0.920
1.00
0.00
PROT

ATOM
2063
HN
LYS
111
10.958
8.303
−0.537
1.00
0.00
PROT

ATOM
2064
CA
LYS
111
12.707
8.650
−1.741
1.00
0.00
PROT

ATOM
2065
HA
LYS
111
12.912
8.139
−2.670
1.00
0.00
PROT

ATOM
2066
CB
LYS
111
12.005
9.976
−2.008
1.00
0.00
PROT

ATOM
2067
HB1
LYS
111
12.370
10.725
−1.322
1.00
0.00
PROT

ATOM
2068
HB2
LYS
111
10.941
9.851
−1.876
1.00
0.00
PROT

ATOM
2069
CG
LYS
111
12.298
10.409
−3.443
1.00
0.00
PROT

ATOM
2070
HG1
LYS
111
13.346
10.638
−3.538
1.00
0.00
PROT

ATOM
2071
HG2
LYS
111
12.045
9.606
−4.115
1.00
0.00
PROT

ATOM
2072
CD
LYS
111
11.481
11.652
−3.791
1.00
0.00
PROT

ATOM
2073
HD1
LYS
111
11.705
12.430
−3.081
1.00
0.00
PROT

ATOM
2074
HD2
LYS
111
11.744
11.987
−4.784
1.00
0.00
PROT

ATOM
2075
CE
LYS
111
9.986
11.326
−3.743
1.00
0.00
PROT

ATOM
2076
HE1
LYS
111
9.698
11.020
−2.749
1.00
0.00
PROT

ATOM
2077
HE2
LYS
111
9.746
10.555
−4.460
1.00
0.00
PROT

ATOM
2078
NZ
LYS
111
9.308
12.602
−4.108
1.00
0.00
PROT

ATOM
2079
HZ1
LYS
111
9.300
13.239
−3.285
1.00
0.00
PROT

ATOM
2080
HZ2
LYS
111
8.330
12.404
−4.401
1.00
0.00
PROT

ATOM
2081
HZ3
LYS
111
9.819
13.056
−4.892
1.00
0.00
PROT

ATOM
2082
C
LYS
111
13.995
8.874
−0.959
1.00
0.00
PROT

ATOM
2083
O
LYS
111
15.083
8.650
−1.453
1.00
0.00
PROT

ATOM
2084
N
GLU
112
13.883
9.307
0.264
1.00
0.00
PROT

ATOM
2085
HN
GLU
112
12.993
9.458
0.652
1.00
0.00
PROT

ATOM
2086
CA
GLU
112
15.102
9.501
1.090
1.00
0.00
PROT

ATOM
2087
HA
GLU
112
15.831
10.088
0.555
1.00
0.00
PROT

ATOM
2088
CB
GLU
112
14.621
10.253
2.329
1.00
0.00
PROT

ATOM
2089
HB1
GLU
112
13.881
9.660
2.843
1.00
0.00
PROT

ATOM
2090
HB2
GLU
112
15.457
10.439
2.987
1.00
0.00
PROT

ATOM
2091
CG
GLU
112
14.002
11.585
1.896
1.00
0.00
PROT

ATOM
2092
HG1
GLU
112
13.216
11.857
2.585
1.00
0.00
PROT

ATOM
2093
HG2
GLU
112
13.590
11.484
0.899
1.00
0.00
PROT

ATOM
2094
CD
GLU
112
15.079
12.672
1.896
1.00
0.00
PROT

ATOM
2095
OE1
GLU
112
16.109
12.458
1.277
1.00
0.00
PROT

ATOM
2096
OE2
GLU
112
14.855
13.700
2.513
1.00
0.00
PROT

ATOM
2097
C
GLU
112
15.680
8.135
1.460
1.00
0.00
PROT

ATOM
2098
O
GLU
112
16.865
7.989
1.688
1.00
0.00
PROT

ATOM
2099
N
ALA
113
14.852
7.125
1.476
1.00
0.00
PROT

ATOM
2100
HN
ALA
113
13.905
7.263
1.257
1.00
0.00
PROT

ATOM
2101
CA
ALA
113
15.349
5.753
1.761
1.00
0.00
PROT

ATOM
2102
HA
ALA
113
15.938
5.737
2.666
1.00
0.00
PROT

ATOM
2103
CB
ALA
113
14.089
4.895
1.912
1.00
0.00
PROT

ATOM
2104
HB1
ALA
113
13.403
5.114
1.105
1.00
0.00
PROT

ATOM
2105
HB2
ALA
113
13.614
5.112
2.857
1.00
0.00
PROT

ATOM
2106
HB3
ALA
113
14.359
3.849
1.877
1.00
0.00
PROT

ATOM
2107
C
ALA
113
16.166
5.268
0.571
1.00
0.00
PROT

ATOM
2108
O
ALA
113
17.078
4.476
0.702
1.00
0.00
PROT

ATOM
2109
N
GLY
114
15.835
5.747
−0.595
1.00
0.00
PROT

ATOM
2110
HN
GLY
114
15.093
6.382
−0.670
1.00
0.00
PROT

ATOM
2111
CA
GLY
114
16.572
5.328
−1.810
1.00
0.00
PROT

ATOM
2112
HA1
GLY
114
17.497
4.849
−1.524
1.00
0.00
PROT

ATOM
2113
HA2
GLY
114
16.788
6.194
−2.418
1.00
0.00
PROT

ATOM
2114
C
GLY
114
15.716
4.347
−2.607
1.00
0.00
PROT

ATOM
2115
O
GLY
114
16.226
3.572
−3.393
1.00
0.00
PROT

ATOM
2116
N
LEU
115
14.418
4.357
−2.415
1.00
0.00
PROT

ATOM
2117
HN
LEU
115
14.008
4.992
−1.787
1.00
0.00
PROT

ATOM
2118
CA
LEU
115
13.570
3.416
−3.196
1.00
0.00
PROT

ATOM
2119
HA
LEU
115
14.123
2.522
−3.437
1.00
0.00
PROT

ATOM
2120
CB
LEU
115
12.308
3.073
−2.367
1.00
0.00
PROT

ATOM
2121
HB1
LEU
115
11.817
2.247
−2.855
1.00
0.00
PROT

ATOM
2122
HB2
LEU
115
11.647
3.926
−2.391
1.00
0.00
PROT

ATOM
2123
CG
LEU
115
12.544
2.674
−0.880
1.00
0.00
PROT

ATOM
2124
HG
LEU
115
12.053
3.395
−0.251
1.00
0.00
PROT

ATOM
2125
CD1
LEU
115
11.907
1.303
−0.634
1.00
0.00
PROT

ATOM
2126
HD11
LEU
115
11.704
1.184
0.420
1.00
0.00
PROT

ATOM
2127
HD12
LEU
115
12.582
0.527
−0.962
1.00
0.00
PROT

ATOM
2128
HD13
LEU
115
10.982
1.234
−1.188
1.00
0.00
PROT

ATOM
2129
CD2
LEU
115
14.014
2.603
−0.477
1.00
0.00
PROT

ATOM
2130
HD21
LEU
115
14.591
2.179
−1.283
1.00
0.00
PROT

ATOM
2131
HD22
LEU
115
14.111
1.989
0.405
1.00
0.00
PROT

ATOM
2132
HD23
LEU
115
14.367
3.600
−0.259
1.00
0.00
PROT

ATOM
2133
C
LEU
115
13.128
4.117
−4.473
1.00
0.00
PROT

ATOM
2134
O
LEU
115
12.989
3.509
−5.516
1.00
0.00
PROT

ATOM
2135
N
ILE
116
12.855
5.389
−4.384
1.00
0.00
PROT

ATOM
2136
HN
ILE
116
13.005
5.871
−3.548
1.00
0.00
PROT

ATOM
2137
CA
ILE
116
12.450
6.140
−5.581
1.00
0.00
PROT

ATOM
2138
HA
ILE
116
12.135
5.473
−6.369
1.00
0.00
PROT

ATOM
2139
CB
ILE
116
11.311
7.028
−5.134
1.00
0.00
PROT

ATOM
2140
HB
ILE
116
11.653
7.686
−4.349
1.00
0.00
PROT

ATOM
2141
CG1
ILE
116
10.184
6.165
−4.615
1.00
0.00
PROT

ATOM
2142
HG11
ILE
116
10.537
5.556
−3.796
1.00
0.00
PROT

ATOM
2143
HG12
ILE
116
9.414
6.811
−4.277
1.00
0.00
PROT

ATOM
2144
CG2
ILE
116
10.807
7.860
−6.315
1.00
0.00
PROT

ATOM
2145
HG21
ILE
116
10.921
8.910
−6.091
1.00
0.00
PROT

ATOM
2146
HG22
ILE
116
9.761
7.639
−6.486
1.00
0.00
PROT

ATOM
2147
HG23
ILE
116
11.376
7.614
−7.197
1.00
0.00
PROT

ATOM
2148
CD1
ILE
116
9.648
5.268
−5.739
1.00
0.00
PROT

ATOM
2149
HD11
ILE
116
9.450
5.866
−6.616
1.00
0.00
PROT

ATOM
2150
HD12
ILE
116
8.734
4.792
−5.413
1.00
0.00
PROT

ATOM
2151
HD13
ILE
116
10.382
4.512
−5.976
1.00
0.00
PROT

ATOM
2152
C
ILE
116
13.600
6.991
−6.022
1.00
0.00
PROT

ATOM
2153
O
ILE
116
13.688
8.158
−5.697
1.00
0.00
PROT

ATOM
2154
N
ASP
117
14.486
6.420
−6.746
1.00
0.00
PROT

ATOM
2155
HN
ASP
117
14.377
5.475
−6.969
1.00
0.00
PROT

ATOM
2156
CA
ASP
117
15.654
7.200
−7.239
1.00
0.00
PROT

ATOM
2157
HA
ASP
117
16.149
7.694
−6.416
1.00
0.00
PROT

ATOM
2158
CB
ASP
117
16.583
6.163
−7.873
1.00
0.00
PROT

ATOM
2159
HB1
ASP
117
16.314
6.023
−8.909
1.00
0.00
PROT

ATOM
2160
HB2
ASP
117
16.488
5.225
−7.346
1.00
0.00
PROT

ATOM
2161
CG
ASP
117
18.030
6.653
−7.783
1.00
0.00
PROT

ATOM
2162
OD1
ASP
117
18.708
6.627
−8.797
1.00
0.00
PROT

ATOM
2163
OD2
ASP
117
18.434
7.048
−6.702
1.00
0.00
PROT

ATOM
2164
C
ASP
117
15.201
8.227
−8.285
1.00
0.00
PROT

ATOM
2165
O
ASP
117
15.724
8.278
−9.380
1.00
0.00
PROT

ATOM
2166
N
LYS
118
14.228
9.047
−7.962
1.00
0.00
PROT

ATOM
2167
HN
LYS
118
13.808
8.998
−7.069
1.00
0.00
PROT

ATOM
2168
CA
LYS
118
13.755
10.060
−8.948
1.00
0.00
PROT

ATOM
2169
HA
LYS
118
13.247
9.576
−9.769
1.00
0.00
PROT

ATOM
2170
CB
LYS
118
12.782
10.944
−8.167
1.00
0.00
PROT

ATOM
2171
HB1
LYS
118
12.394
11.715
−8.817
1.00
0.00
PROT

ATOM
2172
HB2
LYS
118
11.965
10.342
−7.797
1.00
0.00
PROT

ATOM
2173
CG
LYS
118
13.512
11.591
−6.989
1.00
0.00
PROT

ATOM
2174
HG1
LYS
118
13.044
11.288
−6.064
1.00
0.00
PROT

ATOM
2175
HG2
LYS
118
14.546
11.277
−6.990
1.00
0.00
PROT

ATOM
2176
CD
LYS
118
13.443
13.115
−7.119
1.00
0.00
PROT

ATOM
2177
HD1
LYS
118
13.925
13.420
−8.036
1.00
0.00
PROT

ATOM
2178
HD2
LYS
118
13.946
13.571
−6.279
1.00
0.00
PROT

ATOM
2179
CE
LYS
118
11.978
13.560
−7.141
1.00
0.00
PROT

ATOM
2180
HE1
LYS
118
11.327
12.716
−6.966
1.00
0.00
PROT

ATOM
2181
HE2
LYS
118
11.742
14.028
−8.085
1.00
0.00
PROT

ATOM
2182
NZ
LYS
118
11.861
14.546
−6.030
1.00
0.00
PROT

ATOM
2183
HZ1
LYS
118
11.876
14.045
−5.119
1.00
0.00
PROT

ATOM
2184
HZ2
LYS
118
10.967
15.068
−6.123
1.00
0.00
PROT

ATOM
2185
HZ3
LYS
118
12.658
15.212
−6.072
1.00
0.00
PROT

ATOM
2186
C
LYS
118
14.933
10.889
−9.464
1.00
0.00
PROT

ATOM
2187
OT1
LYS
118
14.725
11.675
−10.374
1.00
0.00
PROT

ATOM
2188
OT2
LYS
118
16.023
10.723
−8.942
1.00
0.00
PROT

END

TABLE 11

Chemical Shifts

vector do (rmsd = 4.611) (resid 202 and name HA)

vector do (rmsd = 3.117) (resid 202 and name HB1)

vector do (rmsd = 2.895) (resid 202 and name HB2)

vector do (rmsd = 7.126) (resid 202 and name HD1)

vector do (rmsd = 7.126) (resid 202 and name HD2)

vector do (rmsd = 6.846) (resid 202 and name HE1)

vector do (rmsd = 6.846) (resid 202 and name HE2)

vector do (rmsd = 3.921) (resid 203 and name HA1)

vector do (rmsd = 3.921) (resid 203 and name HA2)

vector do (rmsd = 4.418) (resid 204 and name HA)

vector do (rmsd = 1.862) (resid 204 and name HB1)

vector do (rmsd = 1.775) (resid 204 and name HB2)

vector do (rmsd = 1.644) (resid 204 and name HG1)

vector do (rmsd = 3.190) (resid 204 and name HD1)

vector do (rmsd = 4.289) (resid 205 and name HA)

vector do (rmsd = 1.765) (resid 205 and name HB1)

vector do (rmsd = 1.295) (resid 205 and name HG1)

vector do (rmsd = 1.145) (resid 205 and name HG2)

vector do (rmsd = 1.415) (resid 205 and name HD1)

vector do (rmsd = 3.072) (resid 205 and name HE1)

vector do (rmsd = 7.881) (resid 205 and name HZ)

vector do (rmsd = 1.872) (resid 205 and name HH#)

vector do (rmsd = 4.312) (resid 206 and name HA)

vector do (rmsd = 1.440) (resid 206 and name HG1)

vector do (rmsd = 3.156) (resid 206 and name HE1)

vector do (rmsd = 4.296) (resid 207 and name HA)

vector do (rmsd = 1.805) (resid 207 and name HB1)

vector do (rmsd = 1.660) (resid 207 and name HG1)

vector do (rmsd = 3.202) (resid 207 and name HD1)

vector do (rmsd = 4.310) (resid 208 and name HA)

vector do (rmsd = 1.776) (resid 208 and name HB1)

vector do (rmsd = 1.613) (resid 208 and name HG1)

vector do (rmsd = 3.149) (resid 208 and name HD1)

vector do (rmsd = 4.314) (resid 209 and name HA)

vector do (rmsd = 2.073) (resid 209 and name HB1)

vector do (rmsd = 1.977) (resid 209 and name HB2)

vector do (rmsd = 2.356) (resid 209 and name HG1)

vector do (rmsd = 7.328) (resid 209 and name HE21)

vector do (rmsd = 6.862) (resid 209 and name HE22)

vector do (rmsd = 4.315) (resid 210 and name HA)

vector do (rmsd = 1.795) (resid 210 and name HB1)

vector do (rmsd = 1.626) (resid 210 and name HG1)

vector do (rmsd = 3.149) (resid 210 and name HD1)

vector do (rmsd = 4.465) (resid 211 and name HA)

vector do (rmsd = 2.910) (resid 211 and name HB1)

vector do (rmsd = 58.274) (resid 5 and name CA)

vector do (rmsd = 4.465) (resid 5 and name HA)

vector do (rmsd = 63.709) (resid 5 and name CB)

vector do (rmsd = 3.905) (resid 5 and name HB2)

vector do (rmsd = 56.036) (resid 6 and name CA)

vector do (rmsd = 4.375) (resid 6 and name HA)

vector do (rmsd = 32.965) (resid 6 and name CB)

vector do (rmsd = 1.885) (resid 6 and name HB1)

vector do (rmsd = 1.790) (resid 6 and name HB2)

vector do (rmsd = 24.718) (resid 6 and name CG)

vector do (rmsd = 1.447) (resid 6 and name HG1)

vector do (rmsd = 1.432) (resid 6 and name HG2)

vector do (rmsd = 28.968) (resid 6 and name CD)

vector do (rmsd = 1.680) (resid 6 and name HD1)

vector do (rmsd = 41.812) (resid 6 and name CE)

vector do (rmsd = 3.008) (resid 6 and name HE1)

vector do (rmsd = 54.337) (resid 7 and name CA)

vector do (rmsd = 4.584) (resid 7 and name HA)

vector do (rmsd = 29.653) (resid 7 and name CB)

vector do (rmsd = 2.078) (resid 7 and name HB1)

vector do (rmsd = 1.943) (resid 7 and name HB2)

vector do (rmsd = 35.919) (resid 7 and name CG)

vector do (rmsd = 2.302) (resid 7 and name HG1)

vector do (rmsd = 63.005) (resid 8 and name CA)

vector do (rmsd = 4.457) (resid 8 and name HA)

vector do (rmsd = 31.877) (resid 8 and name CB)

vector do (rmsd = 2.299) (resid 8 and name HB1)

vector do (rmsd = 1.913) (resid 8 and name HB2)

vector do (rmsd = 27.421) (resid 8 and name CG)

vector do (rmsd = 2.058) (resid 8 and name HG1)

vector do (rmsd = 50.560) (resid 8 and name CD)

vector do (rmsd = 3.724) (resid 8 and name HD2)

vector do (rmsd = 3.869) (resid 8 and name HD1)

vector do (rmsd = 55.787) (resid 9 and name CA)

vector do (rmsd = 4.357) (resid 9 and name HA)

vector do (rmsd = 30.898) (resid 9 and name CB)

vector do (rmsd = 1.873) (resid 9 and name HB1)

vector do (rmsd = 1.831) (resid 9 and name HB2)

vector do (rmsd = 27.211) (resid 9 and name CG)

vector do (rmsd = 1.689) (resid 9 and name HG1)

vector do (rmsd = 43.342) (resid 9 and name CD)

vector do (rmsd = 3.221) (resid 9 and name HD1)

vector do (rmsd = 53.302) (resid 10 and name CA)

vector do (rmsd = 4.913) (resid 10 and name HA)

vector do (rmsd = 41.450) (resid 10 and name CB)

vector do (rmsd = 2.800) (resid 10 and name HB1)

vector do (rmsd = 2.734) (resid 10 and name HB2)

vector do (rmsd = 64.747) (resid 11 and name CA)

vector do (rmsd = 4.375) (resid 11 and name HA)

vector do (rmsd = 32.391) (resid 11 and name CB)

vector do (rmsd = 2.356) (resid 11 and name HB1)

vector do (rmsd = 2.086) (resid 11 and name HB2)

vector do (rmsd = 27.470) (resid 11 and name CG)

vector do (rmsd = 2.098) (resid 11 and name HG1)

vector do (rmsd = 50.809) (resid 11 and name CD)

vector do (rmsd = 3.907) (resid 11 and name HD1)

vector do (rmsd = 55.837) (resid 12 and name CA)

vector do (rmsd = 4.717) (resid 12 and name HA)

vector do (rmsd = 40.853) (resid 12 and name CB)

vector do (rmsd = 2.848) (resid 12 and name HB1)

vector do (rmsd = 2.794) (resid 12 and name HB2)

vector do (rmsd = 58.276) (resid 13 and name CA)

vector do (rmsd = 4.217) (resid 13 and name HA)

vector do (rmsd = 28.906) (resid 13 and name CB)

vector do (rmsd = 2.188) (resid 13 and name HB1)

vector do (rmsd = 33.852) (resid 13 and name CG)

vector do (rmsd = 2.530) (resid 13 and name HG1)

vector do (rmsd = 2.421) (resid 13 and name HG2)

vector do (rmsd = 58.276) (resid 14 and name CA)

vector do (rmsd = 4.098) (resid 14 and name HA)

vector do (rmsd = 41.102) (resid 14 and name CB)

vector do (rmsd = 1.874) (resid 14 and name HB1)

vector do (rmsd = 1.595) (resid 14 and name HB2)

vector do (rmsd = 26.915) (resid 14 and name CG)

vector do (rmsd = 1.424) (resid 14 and name HG)

vector do (rmsd = 25.671) (resid 14 and name CD1)

vector do (rmsd = 0.855) (resid 14 and name HD1#)

vector do (rmsd = 23.182) (resid 14 and name CD2)

vector do (rmsd = 0.833) (resid 14 and name HD2#)

vector do (rmsd = 62.071) (resid 15 and name CA)

vector do (rmsd = 4.055) (resid 15 and name HA)

vector do (rmsd = 38.561) (resid 15 and name CB)

vector do (rmsd = 3.346) (resid 15 and name HB1)

vector do (rmsd = 3.084) (resid 15 and name HB2)

vector do (rmsd = 132.705) (resid 15 and name CD1)

vector do (rmsd = 7.126) (resid 15 and name HD1)

vector do (rmsd = 118.507) (resid 15 and name CE1)

vector do (rmsd = 6.925) (resid 15 and name HE1)

vector do (rmsd = 57.529) (resid 16 and name CA)

vector do (rmsd = 4.188) (resid 16 and name HA)

vector do (rmsd = 62.009) (resid 16 and name CB)

vector do (rmsd = 4.023) (resid 16 and name HB1)

vector do (rmsd = 3.940) (resid 16 and name HB2)

vector do (rmsd = 66.738) (resid 17 and name CA)

vector do (rmsd = 3.975) (resid 17 and name HA)

vector do (rmsd = 68.481) (resid 17 and name CB)

vector do (rmsd = 4.267) (resid 17 and name HB)

vector do (rmsd = 21.440) (resid 17 and name CG2)

vector do (rmsd = 1.177) (resid 17 and name HG2#)

vector do (rmsd = 57.778) (resid 18 and name CA)

vector do (rmsd = 3.303) (resid 18 and name HA)

vector do (rmsd = 39.609) (resid 18 and name CB)

vector do (rmsd = 1.556) (resid 18 and name HB1)

vector do (rmsd = 0.346) (resid 18 and name HB2)

vector do (rmsd = 24.675) (resid 18 and name CG)

vector do (rmsd = 1.698) (resid 18 and name HG)

vector do (rmsd = 25.422) (resid 18 and name CD1)

vector do (rmsd = 0.514) (resid 18 and name HD1#)

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vector do (rmsd = 1.373) (resid 118 and name HG1)

vector do (rmsd = 29.653) (resid 118 and name CD)

vector do (rmsd = 1.672) (resid 118 and name HD1)

vector do (rmsd = 40.506) (resid 118 and name CE)

vector do (rmsd = 2.997) (resid 118 and name HE1)

TABLE 12

Hydrogen Bond Distance Restraints

!Helix Z

assign (residue 19 and name HN) (residue 15 and
1.80
0.0
0.40

name O)

assign (residue 19 and name N) (residue 15 and
2.80
0.30
0.40

name O)

assign (residue 22 and name HN) (residue 18 and
1.80
0.0
0.40

name O)

assign (residue 22 and name N) (residue 18 and
2.80
0.30
0.40

name O)

assign (residue 23 and name HN) (residue 19 and
1.80
0.0
0.40

name O)

assign (residue 23 and name N) (residue 19 and
2.80
0.30
0.40

name O)

assign (residue 24 and name HN) (residue 20 and
1.80
0.0
0.40

name O)

assign (residue 24 and name N) (residue 20 and
2.80
0.30
0.40

name O)

assign (residue 25 and name HN) (residue 21 and
1.80
0.0
0.40

name O)

assign (residue 25 and name N) (residue 21 and
2.80
0.30
0.40

name O)

!Helix B

assign (residue 75 and name HN) (residue 71 and
1.80
0.0
0.40

name O)

assign (residue 75 and name N) (residue 71 and
2.80
0.30
0.40

name O)

!assign (residue 77 and name HN) (residue 73 and
1.80
0.0
0.40

name O)

!assign (residue 77 and name N) (residue 73 and
2.80
0.30
0.40

name O)

assign (residue 78 and name HN) (residue 74 and
1.80
0.0
0.40

name O)

assign (residue 78 and name N) (residue 74 and
2.80
0.30
0.40

name O)

assign (residue 79 and name HN) (residue 75 and
1.80
0.0
0.40

name O)

assign (residue 79 and name N) (residue 75 and
2.80
0.30
0.40

name O)

!assign (residue 80 and name HN) (residue 76 and
1.80
0.0
0.40

name O)

!assign (residue 80 and name N) (residue 76 and
2.80
0.30
0.40

name O)

assign (residue 81 and name HN) (residue 77 and
1.80
0.0
0.40

name O)

assign (residue 81 and name N) (residue 77 and
2.80
0.30
0.40

name O)

assign (residue 82 and name HN) (residue 78 and
1.80
0.0
0.40

name O)

assign (residue 82 and name N) (residue 78 and
2.80
0.30
0.40

name O)

!Helix C

assign (residue 102 and name HN) (residue 98 and
1.80
0.0
0.40

name O)

assign (residue 102 and name N) (residue 98 and
2.80
0.30
0.40

name O)

assign (residue 103 and name HN) (residue 99 and
1.80
0.0
0.40

name O)

assign (residue 103 and name N) (residue 99 and
2.80
0.30
0.40

name O)

assign (residue 104 and name HN) (residue 100
1.80
0.0
0.40

and name O)

assign (residue 104 and name N) (residue 100
2.80
0.30
0.40

and name O)

assign (residue 105 and name HN) (residue 101
1.80
0.0
0.40

and name O)

assign (residue 105 and name N) (residue 101
2.80
0.30
0.40

and name O)

TABLE 13

Unambiguous NOE Distance Restraints

ASSI {1}

((segid “PROT” and resid 29 and name HN))

((segid “PROT” and resid 28 and name HN))

3.300
2.700
2.200 peak
1
weight
0.10000E+01 volume
0.18248E+01 ppm1
8.583
ppm2
7.565

ASSI {11}

((segid “PROT” and resid 29 and name HN))

((segid “PROT” and resid 29 and name HA))

2.700
1.800
1.800 peak
11
weight
0.10000E+01 volume
0.64796E+01 ppm1
8.584
ppm2
4.224

ASSI {21}

((segid “PROT” and resid 29 and name HN))

((segid “PROT” and resid 28 and name HA))

2.400
1.400
1.400 peak
21
weight
0.10000E+01 volume
0.14203E+02 ppm1
8.583
ppm2
3.997

ASSI {31}

((segid “PROT” and resid 29 and name HN))

((segid “PROT” and resid 28 and name HB1))

3.500
3.100
2.000 peak
31
weight
0.10000E+01 volume
0.14751E+01 ppm1
8.583
ppm2
3.019

ASSI {41}

((segid “PROT” and resid 29 and name HN))

((segid “PROT” and resid 29 and name HG2))

3.000
2.200
2.200 peak
41
weight
0.10000E+01 volume
0.37768E+01 ppm1
8.583
ppm2
2.419

ASSI {51}

((segid “PROT” and resid 29 and name HN))

((segid “PROT” and resid 29 and name HB1))

2.400
1.400
1.400 peak
51
weight
0.10000E+01 volume
0.13363E+02 ppm1
8.583
ppm2
2.125

ASSI {71}

((segid “PROT” and resid 29 and name HN))

((segid “PROT” and resid 28 and name HB2))

3.400
2.900
2.100 peak
71
weight
0.10000E+01 volume
0.15259E+01 ppm1
8.598
ppm2
2.776

ASSI {81}

((segid “PROT” and resid 57 and name HN))

((segid “PROT” and resid 57 and name HG1))

3.300
2.700
2.200 peak
81
weight
0.10000E+01 volume
0.19711E+01 ppm1
8.807
ppm2
1.511

ASSI {91}

((segid “PROT” and resid 57 and name HN))

((segid “PROT” and resid 58 and name HN))

2.600
1.700
1.700 peak
91
weight
0.10000E+01 volume
0.89521E+01 ppm1
8.801
ppm2
9.439

ASSI {101}

((segid “PROT” and resid 57 and name HN))

((segid “PROT” and resid 56 and name HN))

2.800
2.000
2.000 peak
101
weight
0.10000E+01 volume
0.49351E+01 ppm1
8.803
ppm2
9.125

ASSI {111}

((segid “PROT” and resid 57 and name HN))

((segid “PROT” and resid 59 and name HN))

3.400
2.900
2.100 peak
111
weight
0.10000E+01 volume
0.16857E+01 ppm1
8.801
ppm2
7.884

ASSI {121}

((segid “PROT” and resid 57 and name HN))

((segid “PROT” and resid 36 and name HA))

3.100
2.400
2.400 peak
121
weight
0.10000E+01 volume
0.30255E+01 ppm1
8.802
ppm2
4.847

ASSI {131}

((segid “PROT” and resid 57 and name HN))

((segid “PROT” and resid 55 and name HA))

2.900
2.100
2.100 peak
131
weight
0.10000E+01 volume
0.41647E+01 ppm1
8.802
ppm2
4.741

ASSI {151}

((segid “PROT” and resid 57 and name HN))

((segid “PROT” and resid 56 and name HA))

3.300
2.700
2.200 peak
151
weight
0.10000E+01 volume
0.19189E+01 ppm1
8.798
ppm2
4.063

ASSI {171}

((segid “PROT” and resid 57 and name HN))

((segid “PROT” and resid 55 and name HB1))

2.500
1.600
1.600 peak
171
weight
0.10000E+01 volume
0.95863E+01 ppm1
8.801
ppm2
2.371

ASSI {181}

((segid “PROT” and resid 57 and name HN))

((segid “PROT” and resid 35 and name HB1))

2.600
2.600
1.900 peak
181
weight
0.10000E+01 volume
0.84398E+01 ppm1
8.801
ppm2
2.269

ASSI {191}

((segid “PROT” and resid 57 and name HN))

((segid “PROT” and resid 56 and name HB1))

3.200
2.600
2.300 peak
191
weight
0.10000E+01 volume
0.24962E+01 ppm1
8.803
ppm2
2.090

ASSI {201}

((segid “PROT” and resid 57 and name HN))

((segid “PROT” and resid 57 and name HD1))

3.200
2.600
2.300 peak
201
weight
0.10000E+01 volume
0.24126E+01 ppm1
8.800
ppm2
1.724

ASSI {211}

((segid “PROT” and resid 57 and name HN))

((segid “PROT” and resid 56 and name HB2))

3.100
2.400
2.400 peak
211
weight
0.10000E+01 volume
0.27264E+01 ppm1
8.800
ppm2
1.424

ASSI {261}

((segid “PROT” and resid 118 and name HN))

((segid “PROT” and resid 117 and name HA))

2.200
1.200
1.200 peak
261
weight
0.10000E+01 volume
0.21965E+02 ppm1
7.777
ppm2
4.583

ASSI {271}

((segid “PROT” and resid 118 and name HN))

((segid “PROT” and resid 118 and name HA))

2.300
1.300
1.300 peak
271
weight
0.10000E+01 volume
0.15108E+02 ppm1
7.774
ppm2
4.076

ASSI {281}

((segid “PROT” and resid 118 and name HN))

((segid “PROT” and resid 117 and name HB1))

2.900
2.100
2.100 peak
281
weight
0.10000E+01 volume
0.45666E+01 ppm1
7.775
ppm2
2.710

ASSI {291}

((segid “PROT” and resid 118 and name HN))

((segid “PROT” and resid 117 and name HB2))

3.200
2.600
2.300 peak
291
weight
0.10000E+01 volume
0.21751E+01 ppm1
7.775
ppm2
2.569

ASSI {301}

((segid “PROT” and resid 118 and name HN))

((segid “PROT” and resid 118 and name HB1))

2.800
2.000
2.000 peak
301
weight
0.10000E+01 volume
0.47059E+01 ppm1
7.776
ppm2
1.799

ASSI {311}

((segid “PROT” and resid 118 and name HN))

((segid “PROT” and resid 118 and name HB2))

2.600
1.700
1.700 peak
311
weight
0.10000E+01 volume
0.80279E+01 ppm1
7.776
ppm2
1.693

ASSI {321}

((segid “PROT” and resid 118 and name HN))

(segid “PROT” and resid 116 and name HD1%)

3.000
2.200
2.200 peak
321
weight
0.10000E+01 volume
0.36749E+01 ppm1
7.773
ppm2
0.824

ASSI {331}

((segid “PROT” and resid 118 and name HN))

((segid “PROT” and resid 116 and name HN))

2.700
1.800
1.800 peak
331
weight
0.10000E+01 volume
0.67264E+01 ppm1
7.768
ppm2
7.476

ASSI {341}

((segid “PROT” and resid 51 and name HN))

((segid “PROT” and resid 49 and name HN))

3.200
2.600
2.300 peak
341
weight
0.10000E+01 volume
0.22818E+01 ppm1
7.768
ppm2
7.100

ASSI {351}

((segid “PROT” and resid 118 and name HN))

((segid “PROT” and resid 116 and name HA))

2.800
2.000
2.000 peak
351
weight
0.10000E+01 volume
0.48649E+01 ppm1
7.770
ppm2
4.308

ASSI {361}

((segid “PROT” and resid 118 and name HN))

((segid “PROT” and resid 116 and name HG12))

3.500
3.100
2.000 peak
361
weight
0.10000E+01 volume
0.14512E+01 ppm1
7.771
ppm2
0.923

ASSI {411}

((segid “PROT” and resid 28 and name HN))

((segid “PROT” and resid 28 and name HA))

2.600
1.700
1.700 peak
411
weight
0.10000E+01 volume
0.75737E+01 ppm1
7.561
ppm2
4.010

ASSI {421}

((segid “PROT” and resid 28 and name HN))

((segid “PROT” and resid 25 and name HA))

3.100
2.400
2.400 peak
421
weight
0.10000E+01 volume
0.30883E+01 ppm1
7.564
ppm2
3.858

ASSI {431}

((segid “PROT” and resid 28 and name HN))

((segid “PROT” and resid 28 and name HB1))

2.600
1.700
1.700 peak
431
weight
0.10000E+01 volume
0.85703E+01 ppm1
7.562
ppm2
2.994

ASSI {441}

((segid “PROT” and resid 28 and name HN))

((segid “PROT” and resid 26 and name HD1))

3.500
3.100
2.000 peak
441
weight
0.10000E+01 volume
0.13903E+01 ppm1
7.562
ppm2
1.839

ASSI {451}

((segid “PROT” and resid 28 and name HN))

(segid “PROT” and resid 31 and name HB%)

2.800
2.000
2.000 peak
451
weight
0.10000E+01 volume
0.53325E+01 ppm1
7.561
ppm2
1.734

ASSI {461}

((segid “PROT” and resid 28 and name HN))

(segid “PROT” and resid 102 and name HD1%)

3.000
2.200
2.200 peak
461
weight
0.10000E+01 volume
0.32864E+01 ppm1
7.561
ppm2
0.733

ASSI {471}

((segid “PROT” and resid 28 and name HN))

((segid “PROT” and resid 27 and name HA))

3.100
2.400
2.400 peak
471
weight
0.10000E+01 volume
0.28492E+01 ppm1
7.559
ppm2
4.462

ASSI {481}

((segid “PROT” and resid 28 and name HN))

((segid “PROT” and resid 28 and name HB2))

2.500
1.600
1.600 peak
481
weight
0.10000E+01 volume
0.92253E+01 ppm1
7.558
ppm2
2.796

ASSI {491}

((segid “PROT” and resid 51 and name HN))

((segid “PROT” and resid 51 and name HD1))

3.300
2.700
2.200 peak
491
weight
0.10000E+01 volume
0.18829E+01 ppm1
7.766
ppm2
3.005

ASSI {501}

((segid “PROT” and resid 118 and name HN))

((segid “PROT” and resid 118 and name HG1))

2.300
1.300
1.300 peak
501
weight
0.10000E+01 volume
0.16392E+02 ppm1
7.764
ppm2
1.373

ASSI {511}

((segid “PROT” and resid 51 and name HN))

((segid “PROT” and resid 52 and name HN))

2.500
1.600
1.600 peak
511
weight
0.10000E+01 volume
0.10570E+02 ppm1
7.756
ppm2
8.424

ASSI {521}

((segid “PROT” and resid 51 and name HN))

((segid “PROT” and resid 50 and name HA))

2.100
1.100
1.100 peak
521
weight
0.10000E+01 volume
0.28178E+02 ppm1
7.762
ppm2
3.931

ASSI {531}

((segid “PROT” and resid 51 and name HN))

((segid “PROT” and resid 51 and name HB2))

2.500
1.600
1.600 peak
531
weight
0.10000E+01 volume
0.10172E+02 ppm1
7.757
ppm2
1.182

ASSI {541}

((segid “PROT” and resid 51 and name HN))

((segid “PROT” and resid 50 and name HD1%)

2.900
2.100
2.100 peak
541
weight
0.10000E+01 volume
0.41637E+01 ppm1
7.756
ppm2
0.553

ASSI {551}

((segid “PROT” and resid 51 and name HN))

(segid “PROT” and resid 50 and name HG2%)

2.900
2.100
2.100 peak
551
weight
0.10000E+01 volume
0.43238E+01 ppm1
7.755
ppm2
0.397

ASSI {561}

((segid “PROT” and resid 51 and name HN))

((segid “PROT” and resid 50 and name HN))

3.200
2.600
2.300 peak
561
weight
0.10000E+01 volume
0.22364E+01 ppm1
7.752
ppm2
7.979

ASSI {571}

((segid “PROT” and resid 38 and name HN))

((segid “PROT” and resid 37 and name HA))

2.600
1.700
1.700 peak
571
weight
0.10000E+01 volume
0.79316E+01 ppm1
8.336
ppm2
4.242

ASSI {581}

((segid “PROT” and resid 38 and name HN))

((segid “PROT” and resid 38 and name HA))

3.200
2.600
2.300 peak
581
weight
0.10000E+01 volume
0.24318E+01 ppm1
8.334
ppm2
3.475

ASSI {591}

((segid “PROT” and resid 38 and name HN))

((segid “PROT” and resid 37 and name HB1))

3.100
2.400
2.400 peak
591
weight
0.10000E+01 volume
0.26287E+01 ppm1
8.336
ppm2
2.361

ASSI {601}

((segid “PROT” and resid 38 and name HN))

((segid “PROT” and resid 38 and name HB))

2.800
2.000
2.000 peak
601
weight
0.10000E+01 volume
0.49359E+01 ppm1
8.339
ppm2
1.058

ASSI {611}

((segid “PROT” and resid 38 and name HN))

(segid “PROT” and resid 38 and name HG1%)

2.700
1.800
1.800 peak
611
weight
0.10000E+01 volume
0.67420E+01 ppm1
8.336
ppm2
0.469

ASSI {621}

((segid “PROT” and resid 38 and name HN))

((segid “PROT” and resid 37 and name HB2))

3.500
3.100
2.000 peak
621
weight
0.10000E+01 volume
0.14362E+01 ppm1
8.331
ppm2
1.685

ASSI {631}

((segid “PROT” and resid 38 and name HN))

(segid “PROT” and resid 38 and name HG2%)

3.300
2.700
2.200 peak
631
weight
0.10000E+01 volume
0.17918E+01 ppm1
8.328
ppm2
−0.027

ASSI {651}

((segid “PROT” and resid 61 and name HN))

((segid “PROT” and resid 60 and name HB1))

3.100
2.400
2.400 peak
651
weight
0.10000E+01 volume
0.30032E+01 ppm1
8.163
ppm2
4.212

ASSI {661}

((segid “PROT” and resid 61 and name HN))

((segid “PROT” and resid 61 and name HA))

2.600
1.700
1.700 peak
661
weight
0.10000E+01 volume
0.77544E+01 ppm1
8.162
ppm2
4.060

ASSI {671}

((segid “PROT” and resid 61 and name HN))

((segid “PROT” and resid 58 and name HA))

3.300
2.700
2.200 peak
671
weight
0.10000E+01 volume
0.19907E+01 ppm1
8.162
ppm2
3.866

ASSI {681}

((segid “PROT” and resid 61 and name HN))

((segid “PROT” and resid 61 and name HG2))

2.500
1.600
1.600 peak
681
weight
0.10000E+01 volume
0.10559E+02 ppm1
8.163
ppm2
2.245

ASSI {691}

((segid “PROT” and resid 61 and name HN))

((segid “PROT” and resid 61 and name HB2))

2.700
1.800
1.800 peak
691
weight
0.10000E+01 volume
0.70727E+01 ppm1
8.163
ppm2
2.089

ASSI {701}

((segid “PROT” and resid 61 and name HN))

(segid “PROT” and resid 58 and name HG2%)

3.400
2.900
2.100 peak
701
weight
0.10000E+01 volume
0.17011E+01 ppm1
8.164
ppm2
1.075

ASSI {711}

((segid “PROT” and resid 61 and name HN))

((segid “PROT” and resid 62 and name HN))

2.700
1.800
1.800 peak
711
weight
0.10000E+01 volume
0.60705E+01 ppm1
8.161
ppm2
8.378

ASSI {721}

((segid “PROT” and resid 61 and name HN))

((segid “PROT” and resid 60 and name HA))

3.100
2.400
2.400 peak
721
weight
0.10000E+01 volume
0.27541E+01 ppm1
8.158
ppm2
4.417

ASSI {731}

((segid “PROT” and resid 61 and name HN))

((segid “PROT” and resid 61 and name HG1))

2.700
1.800
1.800 peak
731
weight
0.10000E+01 volume
0.60769E+01 ppm1
8.160
ppm2
2.388

ASSI {741}

((segid “PROT” and resid 117 and name HN))

((segid “PROT” and resid 118 and name HN))

3.000
2.200
2.200 peak
741
weight
0.10000E+01 volume
0.33860E+01 ppm1
8.278
ppm2
7.777

ASSI {751}

((segid “PROT” and resid 117 and name HN))

((segid “PROT” and resid 116 and name HN))

3.100
2.400
2.400 peak
751
weight
0.10000E+01 volume
0.30296E+01 ppm1
8.276
ppm2
7.477

ASSI {761}

((segid “PROT” and resid 117 and name HN))

((segid “PROT” and resid 117 and name HA))

2.800
2.000
2.000 peak
761
weight
0.10000E+01 volume
0.56966E+01 ppm1
8.279
ppm2
4.584

ASSI {771}

((segid “PROT” and resid 117 and name HN))

((segid “PROT” and resid 115 and name HA))

2.400
2.400
2.100 peak
771
weight
0.10000E+01 volume
0.11755E+02 ppm1
8.279
ppm2
4.253

ASSI {791}

((segid “PROT” and resid 117 and name HN))

((segid “PROT” and resid 117 and name HB1))

3.100
2.400
2.400 peak
791
weight
0.10000E+01 volume
0.30574E+01 ppm1
8.279
ppm2
2.708

ASSI {801}

((segid “PROT” and resid 117 and name HN))

((segid “PROT” and resid 117 and name HB2))

2.800
2.000
2.000 peak
801
weight
0.10000E+01 volume
0.52392E+01 ppm1
8.276
ppm2
2.564

ASSI {811}

((segid “PROT” and resid 117 and name HN))

((segid “PROT” and resid 116 and name HB))

2.800
2.000
2.000 peak
811
weight
0.10000E+01 volume
0.47120E+01 ppm1
8.279
ppm2
1.829

ASSI {821}

((segid “PROT” and resid 117 and name HN))

((segid “PROT” and resid 111 and name HG2))

3.500
3.100
2.000 peak
821
weight
0.10000E+01 volume
0.13421E+01 ppm1
8.279
ppm2
1.309

ASSI {831}

((segid “PROT” and resid 117 and name HN))

(segid “PROT” and resid 116 and name HD1%)

3.100
2.400
2.400 peak
831
weight
0.10000E+01 volume
0.30974E+01 ppm1
8.279
ppm2
0.827

ASSI {841}

((segid “PROT” and resid 6 and name HN))

((segid “PROT” and resid 6 and name HB2))

3.500
3.100
2.000 peak
841
weight
0.10000E+01 volume
0.12891E+01 ppm1
8.404
ppm2
1.751

ASSI {851}

((segid “PROT” and resid 6 and name HN))

((segid “PROT” and resid 5 and name HA))

3.100
2.400
2.400 peak
851
weight
0.10000E+01 volume
0.28648E+01 ppm1
8.391
ppm2
4.447

ASSI {871}

((segid “PROT” and resid 50 and name HN))

((segid “PROT” and resid 49 and name HN))

2.300
1.300
1.300 peak
871
weight
0.10000E+01 volume
0.15808E+02 ppm1
7.961
ppm2
7.117

ASSI {881}

((segid “PROT” and resid 50 and name HN))

((segid “PROT” and resid 48 and name HA))

2.800
2.000
2.000 peak
881
weight
0.10000E+01 volume
0.48582E+01 ppm1
7.960
ppm2
4.097

ASSI {891}

((segid “PROT” and resid 50 and name HN))

((segid “PROT” and resid 50 and name HA))

2.900
2.100
2.100 peak
891
weight
0.10000E+01 volume
0.39149E+01 ppm1
7.959
ppm2
3.931

ASSI {901}

((segid “PROT” and resid 50 and name HN))

((segid “PROT” and resid 49 and name HB))

2.800
2.000
2.000 peak
901
weight
0.10000E+01 volume
0.50087E+01 ppm1
7.960
ppm2
1.908

ASSI {911}

((segid “PROT” and resid 50 and name HN))

((segid “PROT” and resid 50 and name HB))

2.600
1.700
1.700 peak
911
weight
0.10000E+01 volume
0.88755E+01 ppm1
7.961
ppm2
1.220

ASSI {921}

((segid “PROT” and resid 50 and name HN))

(segid “PROT” and resid 49 and name HG2%)

2.800
2.000
2.000 peak
921
weight
0.10000E+01 volume
0.51983E+01 ppm1
7.961
ppm2
0.935

ASSI {931}

((segid “PROT” and resid 50 and name HN))

((segid “PROT” and resid 50 and name HG11))

2.900
2.100
2.100 peak
931
weight
0.10000E+01 volume
0.42899E+01 ppm1
7.959
ppm2
0.807

ASSI {941}

((segid “PROT” and resid 50 and name HN))

(segid “PROT” and resid 50 and name HD1%)

2.900
2.100
2.100 peak
941
weight
0.10000E+01 volume
0.39098E+01 ppm1
7.963
ppm2
0.549

ASSI {951}

((segid “PROT” and resid 50 and name HN))

(segid “PROT” and resid 50 and name HG2%)

2.900
2.100
2.100 peak
951
weight
0.10000E+01 volume
0.39287E+01 ppm1
7.961
ppm2
0.395

ASSI {961}

((segid “PROT” and resid 50 and name HN))

((segid “PROT” and resid 50 and name HG12))

3.200
2.600
2.300 peak
961
weight
0.10000E+01 volume
0.21710E+01 ppm1
7.961
ppm2
0.162

ASSI {971}

((segid “PROT” and resid 50 and name HN))

((segid “PROT” and resid 46 and name HA))

3.500
3.100
2.000 peak
971
weight
0.10000E+01 volume
0.12530E+01 ppm1
7.957
ppm2
3.478

ASSI {981}

((segid “PROT” and resid 7 and name HN))

((segid “PROT” and resid 7 and name HB1))

2.900
2.100
2.100 peak
981
weight
0.10000E+01 volume
0.42394E+01 ppm1
8.324
ppm2
2.043

ASSI {991}

((segid “PROT” and resid 7 and name HN))

((segid “PROT” and resid 7 and name HA))

2.800
2.000
2.000 peak
991
weight
0.10000E+01 volume
0.53094E+01 ppm1
8.324
ppm2
4.561

ASSI {1001}

((segid “PROT” and resid 7 and name HN))

((segid “PROT” and resid 6 and name HA))

2.400
1.400
1.400 peak
1001
weight
0.10000E+01 volume
0.13634E+02 ppm1
8.324
ppm2
4.372

ASSI {1011}

((segid “PROT” and resid 7 and name HN))

((segid “PROT” and resid 8 and name HD2))

3.600
3.200
1.900 peak
1011
weight
0.10000E+01 volume
0.12154E+01 ppm1
8.322
ppm2
3.707

ASSI {1021}

((segid “PROT” and resid 7 and name HN))

((segid “PROT” and resid 7 and name HG1))

2.900
2.100
2.100 peak
1021
weight
0.10000E+01 volume
0.40289E+01 ppm1
8.321
ppm2
2.294

ASSI {1031}

((segid “PROT” and resid 7 and name HN))

((segid “PROT” and resid 7 and name HB2))

2.600
1.700
1.700 peak
1031
weight
0.10000E+01 volume
0.80771E+01 ppm1
8.323
ppm2
1.912

ASSI {1041}

((segid “PROT” and resid 102 and name HN))

((segid “PROT” and resid 101 and name HN))

2.600
1.700
1.700 peak
1041
weight
0.10000E+01 volume
0.88803E+01 ppm1
8.518
ppm2
8.030

ASSI {1051}

((segid “PROT” and resid 102 and name HN))

((segid “PROT” and resid 105 and name HN))

3.400
2.900
2.100 peak
1051
weight
0.10000E+01 volume
0.16580E+01 ppm1
8.517
ppm2
7.932

ASSI {1061}

((segid “PROT” and resid 102 and name HN))

((segid “PROT” and resid 98 and name HA))

3.500
3.100
2.000 peak
1061
weight
0.10000E+01 volume
0.13507E+01 ppm1
8.515
ppm2
4.197

ASSI {1071}

((segid “PROT” and resid 102 and name HN))

((segid “PROT” and resid 99 and name HA))

3.300
2.700
2.200 peak
1071
weight
0.10000E+01 volume
0.17668E+01 ppm1
8.518
ppm2
3.874

ASSI {1081}

((segid “PROT” and resid 102 and name HN))

((segid “PROT” and resid 102 and name HA))

2.800
2.000
2.000 peak
1081
weight
0.10000E+01 volume
0.49359E+01 ppm1
8.516
ppm2
3.686

ASSI {1111}

((segid “PROT” and resid 102 and name HN))

((segid “PROT” and resid 102 and name HG))

3.100
2.400
2.400 peak
1111
weight
0.10000E+01 volume
0.25668E+01 ppm1
8.517
ppm2
1.554

ASSI {1121}

((segid “PROT” and resid 102 and name HN))

((segid “PROT” and resid 102 and name HB1))

2.800
2.000
2.000 peak
1121
weight
0.10000E+01 volume
0.54544E+01 ppm1
8.516
ppm2
1.434

ASSI {1131}

((segid “PROT” and resid 102 and name HN))

((segid “PROT” and resid 102 and name HB2))

2.600
1.700
1.700 peak
1131
weight
0.10000E+01 volume
0.74477E+01 ppm1
8.516
ppm2
1.232

ASSI {1141}

((segid “PROT” and resid 102 and name HN))

(segid “PROT” and resid 101 and name HG2%)

2.900
2.100
2.100 peak
1141
weight
0.10000E+01 volume
0.42361E+01 ppm1
8.517
ppm2
1.002

ASSI {1151}

((segid “PROT” and resid 102 and name HN))

(segid “PROT” and resid 102 and name HD1%)

2.900
2.100
2.100 peak
1151
weight
0.10000E+01 volume
0.42645E+01 ppm1
8.517
ppm2
0.732

ASSI {1161}

((segid “PROT” and resid 102 and name HN))

((segid “PROT” and resid 104 and name HN))

3.400
2.900
2.100 peak
1161
weight
0.10000E+01 volume
0.15534E+01 ppm1
8.511
ppm2
7.182

ASSI {1171}

((segid “PROT” and resid 103 and name HN))

((segid “PROT” and resid 102 and name HN))

2.900
2.100
2.100 peak
1171
weight
0.10000E+01 volume
0.42887E+01 ppm1
8.040
ppm2
8.466

ASSI {1191}

((segid “PROT” and resid 46 and name HN))

((segid “PROT” and resid 43 and name HA))

3.400
2.900
2.100 peak
1191
weight
0.10000E+01 volume
0.15537E+01 ppm1
8.047
ppm2
4.931

ASSI {1201}

((segid “PROT” and resid 46 and name HN))

((segid “PROT” and resid 44 and name HA))

3.400
2.900
2.100 peak
1201
weight
0.10000E+01 volume
0.15220E+01 ppm1
8.041
ppm2
4.522

ASSI {1221}

((segid “PROT” and resid 46 and name HN))

((segid “PROT” and resid 46 and name HA))

2.800
2.000
2.000 peak
1221
weight
0.10000E+01 volume
0.52605E+01 ppm1
8.039
ppm2
3.484

ASSI {1231}

((segid “PROT” and resid 103 and name HN))

((segid “PROT” and resid 103 and name HA))

3.600
3.200
1.900 peak
1231
weight
0.10000E+01 volume
0.11229E+01 ppm1
8.043
ppm2
3.216

ASSI {1241}

((segid “PROT” and resid 46 and name HN))

((segid “PROT” and resid 46 and name HB1))

2.600
1.700
1.700 peak
1241
weight
0.10000E+01 volume
0.84467E+01 ppm1
8.040
ppm2
2.731

ASSI {1251}

((segid “PROT” and resid 46 and name HN))

((segid “PROT” and resid 46 and name HB2))

2.600
1.700
1.700 peak
1251
weight
0.10000E+01 volume
0.81520E+01 ppm1
8.039
ppm2
2.395

ASSI {1261}

((segid “PROT” and resid 46 and name HN))

(segid “PROT” and resid 43 and name HB%)

2.900
2.100
2.100 peak
1261
weight
0.10000E+01 volume
0.42142E+01 ppm1
8.040
ppm2
0.962

ASSI {1271}

((segid “PROT” and resid 46 and name HN))

((segid “PROT” and resid 48 and name HN))

3.400
2.900
2.100 peak
1271
weight
0.10000E+01 volume
0.16926E+01 ppm1
8.036
ppm2
7.723

ASSI {1321}

((segid “PROT” and resid 58 and name HN))

((segid “PROT” and resid 59 and name HN))

2.900
2.100
2.100 peak
1321
weight
0.10000E+01 volume
0.38254E+01 ppm1
9.442
ppm2
7.886

ASSI {1331}

((segid “PROT” and resid 58 and name HN))

((segid “PROT” and resid 58 and name HB))

3.000
2.200
2.200 peak
1331
weight
0.10000E+01 volume
0.32050E+01 ppm1
9.442
ppm2
4.084

ASSI {1341}

((segid “PROT” and resid 58 and name HN))

(segid “PROT” and resid 58 and name HG2%)

3.200
2.600
2.300 peak
1341
weight
0.10000E+01 volume
0.25336E+01 ppm1
9.442
ppm2
1.074

ASSI {1351}

((segid “PROT” and resid 58 and name HN))

((segid “PROT” and resid 37 and name HA))

3.400
2.900
2.100 peak
1351
weight
0.10000E+01 volume
0.16753E+01 ppm1
9.442
ppm2
4.206

ASSI {1361}

((segid “PROT” and resid 102 and name HN))

((segid “PROT” and resid 98 and name HB2))

3.600
3.200
1.900 peak
1361
weight
0.10000E+01 volume
0.11010E+01 ppm1
8.501
ppm2
3.051

ASSI {1371}

((segid “PROT” and resid 111 and name HN))

((segid “PROT” and resid 112 and name HN))

2.500
1.600
1.600 peak
1371
weight
0.10000E+01 volume
0.10907E+02 ppm1
7.568
ppm2
8.068

ASSI {1391}

((segid “PROT” and resid 111 and name HN))

((segid “PROT” and resid 111 and name HA))

2.600
1.700
1.700 peak
1391
weight
0.10000E+01 volume
0.76380E+01 ppm1
7.569
ppm2
4.066

ASSI {1401}

((segid “PROT” and resid 111 and name HN))

((segid “PROT” and resid 107 and name HA))

3.000
2.200
2.200 peak
1401
weight
0.10000E+01 volume
0.36812E+01 ppm1
7.567
ppm2
3.835

ASSI {1411}

((segid “PROT” and resid 111 and name HN))

((segid “PROT” and resid 112 and name HB1))

3.300
2.700
2.200 peak
1411
weight
0.10000E+01 volume
0.18701E+01 ppm1
7.568
ppm2
2.073

ASSI {1421}

((segid “PROT” and resid 111 and name HN))

((segid “PROT” and resid 111 and name HB1))

2.600
1.700
1.700 peak
1421
weight
0.10000E+01 volume
0.90750E+01 ppm1
7.568
ppm2
1.875

ASSI {1431}

((segid “PROT” and resid 111 and name HN))

((segid “PROT” and resid 111 and name HD1))

3.100
2.400
2.400 peak
1431
weight
0.10000E+01 volume
0.27225E+01 ppm1
7.569
ppm2
1.650

ASSI {1441}

((segid “PROT” and resid 111 and name HN))

((segid “PROT” and resid 111 and name HG1))

3.000
2.200
2.200 peak
1441
weight
0.10000E+01 volume
0.32606E+01 ppm1
7.568
ppm2
1.416

ASSI {1451}

((segid “PROT” and resid 111 and name HN))

((segid “PROT” and resid 111 and name HG2))

3.100
2.400
2.400 peak
1451
weight
0.10000E+01 volume
0.27421E+01 ppm1
7.568
ppm2
1.322

ASSI {1471}

((segid “PROT” and resid 111 and name HN))

(segid “PROT” and resid 110 and name HD1%)

3.300
2.700
2.200 peak
1471
weight
0.10000E+01 volume
0.17681E+01 ppm1
7.568
ppm2
0.543

ASSI {1481}

((segid “PROT” and resid 111 and name HN))

((segid “PROT” and resid 108 and name HA))

3.200
2.600
2.300 peak
1481
weight
0.10000E+01 volume
0.21677E+01 ppm1
7.565
ppm2
4.202

ASSI {1491}

((segid “PROT” and resid 111 and name HN))

((segid “PROT” and resid 112 and name HG1))

3.500
3.100
2.000 peak
1491
weight
0.10000E+01 volume
0.12577E+01 ppm1
7.560
ppm2
2.363

ASSI {1501}

((segid “PROT” and resid 111 and name HN))

((segid “PROT” and resid 111 and name HB2))

2.400
1.400
1.400 peak
1501
weight
0 10000E+01 volume
0.13622E+02 ppm1
7.567
ppm2
1.761

ASSI {1511}

((segid “PROT” and resid 111 and name HN))

((segid “PROT” and resid 110 and name HG12))

3.000
2.200
2.200 peak
1511
weight
0.10000E+01 volume
0.37474E+01 ppm1
7.567
ppm2
1.074

ASSI {1521}

((segid “PROT” and resid 111 and name HN))

(segid “PROT” and resid 110 and name HG2%)

3.000
2.200
2.200 peak
1521
weight
0.10000E+01 volume
0.32871E+01 ppm1
7.566
ppm2
0.665

ASSI {1531}

((segid “PROT” and resid 58 and name HN))

((segid “PROT” and resid 56 and name HB2))

3.400
2.900
2.100 peak
1531
weight
0.10000E+01 volume
0.16528E+01 ppm1
9.448
ppm2
1.432

ASSI {1551}

((segid “PROT” and resid 58 and name HN

((segid “PROT” and resid 58 and name HA))

3.000
2.200
2.200 peak
1551
weight
0.10000E+01 volume
0.32345E+01 ppm1
9.443
ppm2
3.856

ASSI {1571}

((segid “PROT” and resid 58 and name HN))

((segid “PROT” and resid 55 and name HB1))

3.000
2.200
2.200 peak
1571
weight
0.10000E+01 volume
0.37144E+01 ppm1
9.443
ppm2
2.375

ASSI {1581}

((segid “PROT” and resid 58 and name HN))

((segid “PROT” and resid 59 and name HB1))

3.400
2.900
2.100 peak
1581
weight
0.10000E+01 volume
0.16873E+01 ppm1
9.445
ppm2
2.167

ASSI {1621}

((segid “PROT” and resid 10 and name HN))

((segid “PROT” and resid 9 and name HG1))

3.600
3.200
1.900 peak
1621
weight
0.10000E+01 volume
0.11241E+01 ppm1
8.310
ppm2
1.649

ASSI {1631}

((segid “PROT” and resid 10 and name HN))

((segid “PROT” and resid 10 and name HA))

3.000
2.200
2.200 peak
1631
weight
0.10000E+01 volume
0.35515E+01 ppm1
8.304
ppm2
4.893

ASSI {1641}

((segid “PROT” and resid 10 and name HN))

((segid “PROT” and resid 8 and name HA))

3.400
2.900
2.100 peak
1641
weight
0.10000E+01 volume
0.17142E+01 ppm1
8.301
ppm2
4.437

ASSI {1651}

((segid “PROT” and resid 10 and name HN))

((segid “PROT” and resid 9 and name HA))

2.500
1.600
1.600 peak
1651
weight
0.10000E+01 volume
0.10059E+02 ppm1
8.305
ppm2
4.337

ASSI {1671}

((segid “PROT” and resid 10 and name HN))

((segid “PROT” and resid 11 and name HD1))

3.500
3.100
2.000 peak
1671
weight
0.10000E+01 volume
0.13217E+01 ppm1
8.303
ppm2
3.874

ASSI {1681}

((segid “PROT” and resid 10 and name HN))

((segid “PROT” and resid 10 and name HB1))

2.900
2.100
2.100 peak
1681
weight
0.10000E+01 volume
0.41755E+01 ppm1
8.305
ppm2
2.768

ASSI {1691}

((segid “PROT” and resid 10 and name HN))

((segid “PROT” and resid 10 and name HB2))

2.800
2.000
2.000 peak
1691
weight
0.10000E+01 volume
0.49103E+01 ppm1
8.306
ppm2
2.707

ASSI {1701}

((segid “PROT” and resid 10 and name HN))

((segid “PROT” and resid 13 and name HB1))

3.400
2.900
2.100 peak
1701
weight
0.10000E+01 volume
0.15663E+01 ppm1
8.307
ppm2
2.166

ASSI {1711}

((segid “PROT” and resid 10 and name HN))

((segid “PROT” and resid 9 and name HB1))

3.400
2.900
2.100 peak
1711
weight
0.10000E+01 volume
0.17647E+01 ppm1
8.308
ppm2
1.864

ASSI {1731}

((segid “PROT” and resid 43 and name HN))

((segid “PROT” and resid 44 and name HD1))

3.500
3.100
2.000 peak
1731
weight
0.10000E+01 volume
0.12797E+01 ppm1
7.180
ppm2
3.801

ASSI {1741}

((segid “PROT” and resid 43 and name HN))

((segid “PROT” and resid 39 and name HB2))

3.500
3.100
2.000 peak
1741
weight
0.10000E+01 volume
0.13282E+01 ppm1
7.188
ppm2
1.905

ASSI {1751}

((segid “PROT” and resid 43 and name HN))

((segid “PROT” and resid 43 and name HA))

3.100
2.400
2.400 peak
1751
weight
0.10000E+01 volume
0.26725E+01 ppm1
7.178
ppm2
4.963

ASSI {1761}

((segid “PROT” and resid 43 and name HN))

((segid “PROT” and resid 42 and name HA))

3.200
2.600
2.300 peak
1761
weight
0.10000E+01 volume
0.23728E+01 ppm1
7.181
ppm2
4.472

ASSI {1771}

((segid “PROT” and resid 43 and name HN))

((segid “PROT” and resid 41 and name HA))

3.300
2.700
2.200 peak
1771
weight
0.10000E+01 volume
0.19062E+01 ppm1
7.179
ppm2
4.078

ASSI {1781}

((segid “PROT” and resid 43 and name HN))

((segid “PROT” and resid 44 and name HD2))

3.300
2.700
2.200 peak
1781
weight
0.10000E+01 volume
0.17857E+01 ppm1
7.180
ppm2
3.546

ASSI {1791}

((segid “PROT” and resid 43 and name HN))

((segid “PROT” and resid 42 and name HB1))

3.300
2.700
2.200 peak
1791
weight
0.10000E+01 volume
0.18305E+01 ppm1
7.180
ppm2
2.196

ASSI {1801}

((segid “PROT” and resid 43 and name HN))

(segid “PROT” and resid 43 and name HB%

2.700
1.800
1.800 peak
1801
weight
0.10000E+01 volume
0.58026E+01 ppm1
7.180
ppm2
0.964

ASSI {1811}

((segid “PROT” and resid 43 and name HN))

(segid “PROT” and resid 38 and name HG2%)

3.500
3.100
2.000 peak
1811
weight
0.10000E+01 volume
0.13977E+01 ppm1
7.183
ppm2
−0.019

ASSI {1821}

((segid “PROT” and resid 43 and name HN))

((segid “PROT” and resid 42 and name HB2))

3.400
2.900
2.100 peak
1821
weight
0.10000E+01 volume
0.17166E+01 ppm1
7.179
ppm2
2.055

ASSI {1831}

((segid “PROT” and resid 14 and name HN))

((segid “PROT” and resid 14 and name HB1))

2.600
1.700
1.700 peak
1831
weight
0.10000E+01 volume
0.81036E+01 ppm1
8.204
ppm2
1.862

ASSI {1841}

((segid “PROT” and resid 14 and name HN))

((segid “PROT” and resid 14 and name HB2))

2.700
1.800
1.800 peak
1841
weight
0.10000E+01 volume
0.69081E+01 ppm1
8.204
ppm2
1.572

ASSI {1851}

((segid “PROT” and resid 14 and name HN))

((segid “PROT” and resid 14 and name HG))

3.000
2.200
2.200 peak
1851
weight
0.10000E+01 volume
0.31980E+01 ppm1
8.205
ppm2
1.470

ASSI {1861}

((segid “PROT” and resid 14 and name HN))

(segid “PROT” and resid 14 and name HD1%)

2.800
2.000
2.000 peak
1861
weight
0.10000E+01 volume
0.47954E+01 ppm1
8.206
ppm2
0.812

ASSI {1881}

((segid “PROT” and resid 14 and name HN))

((segid “PROT” and resid 11 and name HA))

3.200
2.600
2.300 peak
1881
weight
0.10000E+01 volume
0.22640E+01 ppm1
8.195
ppm2
4.351

ASSI {1891}

((segid “PROT” and resid 14 and name HN))

((segid “PROT” and resid 14 and name HA))

2.700
1.800
1.800 peak
1891
weight
0.10000E+01 volume
0.59973E+01 ppm1
8.201
ppm2
4.064

ASSI {1901}

((segid “PROT” and resid 13 and name HN))

((segid “PROT” and resid 13 and name HG1))

3.000
2.200
2.200 peak
1901
weight
0.10000E+01 volume
0.37757E+01 ppm1
8.187
ppm2
2.507

ASSI {1911}

((segid “PROT” and resid 13 and name HN))

((segid “PROT” and resid 12 and name HB2))

2.800
2.000
2.000 peak
1911
weight
0.10000E+01 volume
0.49834E+01 ppm1
8.184
ppm2
2.773

ASSI {1921}

((segid “PROT” and resid 13 and name HN))

((segid “PROT” and resid 12 and name HA))

2.000
2.000
2.500 peak
1921
weight
0.10000E+01 volume
0.40529E+02 ppm1
8.191
ppm2
4.738

ASSI {1931}

((segid “PROT” and resid 13 and name HN))

((segid “PROT” and resid 13 and name HA))

2.600
1.700
1.700 peak
1931
weight
0.10000E+01 volume
0.72316E+01 ppm1
8.189
ppm2
4.186

ASSI {1941}

((segid “PROT” and resid 13 and name HN))

((segid “PROT” and resid 15 and name HB2))

3.500
3.100
2.000 peak
1941
weight
0.10000E+01 volume
0.14798E+01 ppm1
8.188
ppm2
3.060

ASSI {1951}

((segid “PROT” and resid 13 and name HN))

((segid “PROT” and resid 13 and name HB1))

2.300
1.300
1.300 peak
1951
weight
0 10000E+01 volume
0.17203E+02 ppm1
8.188
ppm2
2.169

ASSI {1971}

((segid “PROT” and resid 13 and name HN))

((segid “PROT” and resid 13 and name HG2))

2.900
2.100
2.100 peak
1971
weight
0.10000E+01 volume
0.42736E+01 ppm1
8.183
ppm2
2.406

ASSI {1981}

((segid “PROT” and resid 9 and name HN))

((segid “PROT” and resid 10 and name HN))

3.000
2.200
2.200 peak
1981
weight
0.10000E+01 volume
0.31853E+01 ppm1
8.448
ppm2
8.320

ASSI {1991}

((segid “PROT” and resid 9 and name HN))

((segid “PROT” and resid 7 and name HA))

3.200
2.600
2.300 peak
1991
weight
0.10000E+01 volume
0.21603E+01 ppm1
8.450
ppm2
4.562

ASSI {2001}

((segid “PROT” and resid 9 and name HN))

((segid “PROT” and resid 8 and name HA))

2.300
1.300
1.300 peak
2001
weight
0.10000E+01 volume
0.19003E+02 ppm1
8.447
ppm2
4.440

ASSI {2011}

((segid “PROT” and resid 9 and name HN))

((segid “PROT” and resid 9 and name HA))

2.700
1.800
1.800 peak
2011
weight
0.10000E+01 volume
0.60317E+01 ppm1
8.447
ppm2
4.335

ASSI {2021}

((segid “PROT” and resid 9 and name HN))

((segid “PROT” and resid 8 and name HB1))

3.100
2.400
2.400 peak
2021
weight
0.10000E+01 volume
0.27796E+01 ppm1
8.445
ppm2
2.277

ASSI {2031}

((segid “PROT” and resid 9 and name HN))

(( segid “PROT” and resid 8 and name HG1))

3.400
2.900
2.100 peak
2031
weight
0.10000E+01 volume
0.16094E+01 ppm1
8.444
ppm2
2.032

ASSI {2051}

((segid “PROT” and resid 9 and name HN))

((segid “PROT” and resid 9 and name HG1))

3.000
2.200
2.200 peak
2051
weight
0.10000E+01 volume
0.32889E+01 ppm1
8.445
ppm2
1.685

ASSI {2061}

((segid “PROT” and resid 112 and name HN))

((segid “PROT” and resid 108 and name HA))

3.200
2.600
2.300 peak
2061
weight
0.10000E+01 volume
0.22954E+01 ppm1
8.062
ppm2
4.205

ASSI {2071}

((segid “PROT” and resid 112 and name HN))

((segid “PROT” and resid 114 and name HN))

3.100
2.400
2.400 peak
2071
weight
0.10000E+01 volume
0.29684E+01 ppm1
8.062
ppm2
7.777

ASSI {2081}

((segid “PROT” and resid 112 and name HN))

((segid “PROT” and resid 113 and name HN))

2.400
1.400
1.400 peak
2081
weight
0.10000E+01 volume
0.12819E+02 ppm1
8.062
ppm2
7.594

ASSI {2091}

((segid “PROT” and resid 112 and name HN))

((segid “PROT” and resid 113 and name HA))

3.300
2.700
2.200 peak
2091
weight
0.10000E+01 volume
0.18076E+01 ppm1
8.062
ppm2
4.319

ASSI {2101}

((segid “PROT” and resid 112 and name HN))

((segid “PROT” and resid 112 and name HA))

2.400
1.400
1.400 peak
2101
weight
0.10000E+01 volume
0.12528E+02 ppm1
8.062
ppm2
4.004

ASSI {2111}

((segid “PROT” and resid 112 and name HN))

((segid “PROT” and resid 112 and name HG1))

2.800
2.000
2.000 peak
2111
weight
0.10000E+01 volume
0.53710E+01 ppm1
8.063
ppm2
2.367

ASSI {2121}

((segid “PROT” and resid 112 and name HN))

((segid “PROT” and resid 112 and name HG2))

2.900
2.100
2.100 peak
2121
weight
0.10000E+01 volume
0.39999E+01 ppm1
8.061
ppm2
2.229

ASSI {2131}

((segid “PROT” and resid 112 and name HN))

((segid “PROT” and resid 112 and name HB1))

2.200
1.200
1.200 peak
2131
weight
0.10000E+01 volume
0.19429E+02 ppm1
8.063
ppm2
2.082

ASSI {2141}

((segid “PROT” and resid 112 and name HN))

((segid “PROT” and resid 111 and name HB1))

2.600
1.700
1.700 peak
2141
weight
0.10000E+01 volume
0.76296E+01 ppm1
8.063
ppm2
1.878

ASSI {2151}

((segid “PROT” and resid 112 and name HN))

((segid “PROT” and resid 111 and name HG1))

2.900
2.100
2.100 peak
2151
weight
0.10000E+01 volume
0.39254E+01 ppm1
8.062
ppm2
1.400

ASSI {2171}

((segid “PROT” and resid 105 and name HN))

((segid “PROT” and resid 106 and name HN)

2.700
1.800
1.800 peak
2171
weight
0.10000E+01 volume
0.64918E+01 ppm1
7.895
ppm2
9.143

ASSI {2181}

((segid “PROT” and resid 105 and name HN))

((segid “PROT” and resid 105 and name HB2))

2.600
1.700
1.700 peak
2181
weight
0.10000E+01 volume
0.82226E+01 ppm1
7.897
ppm2
3.069

ASSI {2191}

((segid “PROT” and resid 109 and name HN))

((segid “PROT” and resid 112 and name HN))

2.400
2.400
2.100 peak
2191
weight
0.10000E+01 volume
0.13989E+02 ppm1
7.966
ppm2
8.061

ASSI {2201}

((segid “PROT” and resid 105 and name HN))

((segid “PROT” and resid 107 and name HN))

3.500
3.100
2.000 peak
2201
weight
0.10000E+01 volume
0.13375E+01 ppm1
7.906
ppm2
8.386

ASSI {2221}

((segid “PROT” and resid 105 and name HN))

((segid “PROT” and resid 104 and name HN))

2.500
1.600
1.600 peak
2221
weight
0.10000E+01 volume
0.98549E+01 ppm1
7.898
ppm2
7.183

ASSI {2231}

((segid “PROT” and resid 105 and name HN))

((segid “PROT” and resid 105 and name HN))

2.800
2.000
2.000 peak
2231
weight
0.10000E+01 volume
0.54794E+01 ppm1
7.898
ppm2
4.341

ASSI {2241}

((segid “PROT” and resid 105 and name HN))

((segid “PROT” and resid 101 and name HA))

2.900
2.100
2.100 peak
2241
weight
0.10000E+01 volume
0.40771E+01 ppm1
7.899
ppm2
3.693

ASSI {2251}

((segid “PROT” and resid 105 and name HN))

((segid “PROT” and resid 105 and name HB1))

2.600
1.700
1.700 peak
2251
weight
0.10000E+01 volume
0.78556E+01 ppm1
7.897
ppm2
3.149

ASSI {2261}

((segid “PROT” and resid 105 and name HN))

((segid “PROT” and resid 104 and name HB1))

2.600
1.700
1.700 peak
2261
weight
0.10000E+01 volume
0.79995E+01 ppm1
7.897
ppm2
1.951

ASSI {2271}

((segid “PROT” and resid 105 and name HN))

((segid “PROT” and resid 104 and name HG1))

3.400
2.900
2.100 peak
2271
weight
0.10000E+01 volume
0.16588E+01 ppm1
7.894
ppm2
1.538

ASSI {2281}

((segid “PROT” and resid 105 and name HN))

(segid “PROT” and resid 102 and name HD2%)

3.200
2.600
2.300 peak
2281
weight
0.10000E+01 volume
0.22009E+01 ppm1
7.898
ppm2
0.737

ASSI {2301}

((segid “PROT” and resid 109 and name HN))

((segid “PROT” and resid 108 and name HA))

3.100
2.400
2.400 peak
2301
weight
0.10000E+01 volume
0.25704E+01 ppm1
7.966
ppm2
4.207

ASSI {2311}

((segid “PROT” and resid 109 and name HN))

((segid “PROT” and resid 109 and name HE2))

3.400
2.900
2.100 peak
2311
weight
0.10000E+01 volume
0.15036E+01 ppm1
7.969
ppm2
2.462

ASSI {2321}

((segid “PROT” and resid 109 and name HN))

((segid “PROT” and resid 109 and name HG1))

2.600
1.700
1.700 peak
2321
weight
0.10000E+01 volume
0.78656E+01 ppm1
7.966
ppm2
0.828

ASSI {2331}

((segid “PROT” and resid 109 and name HN))

((segid “PROT” and resid 111 and name HN))

3.100
2.400
2.400 peak
2331
weight
0.10000E+01 volume
0.27030E+01 ppm1
7.959
ppm2
7.567

ASSI {2341}

((segid “PROT” and resid 109 and name HN))

((segid “PROT” and resid 105 and name HA))

3.400
2.900
2.100 peak
2341
weight
0.10000E+01 volume
0.15976E+01 ppm1
7.964
ppm2
4.340

ASSI {2351}

((segid “PROT” and resid 109 and name HN))

((segid “PROT” and resid 108 and name HB1))

2.500
1.600
1.600 peak
2351
weight
0.10000E+01 volume
0.95438E+01 ppm1
7.965
ppm2
4.004

ASSI {2361}

((segid “PROT” and resid 109 and name HN))

((segid “PROT” and resid 107 and name HA))

3.200
2.600
2.300 peak
2361
weight
0.10000E+01 volume
0.23540E+01 ppm1
7.963
ppm2
3.853

ASSI {2371}

((segid “PROT” and resid 109 and name HN))

((segid “PROT” and resid 109 and name HB1))

2.600
1.700
1.700 peak
2371
weight
0.10000E+01 volume
0.85245E+01 ppm1
7.965
ppm2
1.736

ASSI {2381}

((segid “PROT” and resid 109 and name HN))

((segid “PROT” and resid 109 and name HB2))

2.800
2.000
2.000 peak
2381
weight
0.10000E+01 volume
0.48841E+01 ppm1
7.964
ppm2
1.564

ASSI {2391}

((segid “PROT” and resid 109 and name HN))

((segid “PROT” and resid 109 and name HD1))

2.900
2.100
2.100 peak
2391
weight
0.10000E+01 volume
0.42717E+01 ppm1
7.961
ppm2
1.394

ASSI {2401}

((segid “PROT” and resid 109 and name HN))

((segid “PROT” and resid 110 and name HG11))

3.400
2.900
2.100 peak
2401
weight
0.10000E+01 volume
0.15305E+01 ppm1
7.962
ppm2
1.140

ASSI {2411}

((segid “PROT” and resid 109 and name HN))

((segid “PROT” and resid 107 and name HN))

3.600
3.200
1.900 peak
2411
weight
0.10000E+01 volume
0.11700E+01 ppm1
7.954
ppm2
8.397

ASSI {2421}

((segid “PROT” and resid 106 and name HN))

((segid “PROT” and resid 102 and name HA))

3.400
2.900
2.100 peak
2421
weight
0.10000E+01 volume
0.16616E+01 ppm1
9.157
ppm2
3.700

ASSI {2431}

((segid “PROT” and resid 106 and name HN))

((segid “PROT” and resid 107 and name HN))

2.800
2.000
2.000 peak
2431
weight
0.10000E+01 volume
0.54826E+01 ppm1
9.149
ppm2
8.399

ASSI {2451}

((segid “PROT” and resid 106 and name HN))

((segid “PROT” and resid 24 and name HE21))

3.300
2.700
2.200 peak
2451
weight
0.10000E+01 volume
0.17819E+01 ppm1
9.147
ppm2
7.060

ASSI {2461}

((segid “PROT” and resid 106 and name HN))

(segid “PROT” and resid 106 and name HD%)

3.500
3.100
2.000 peak
2461
weight
0.10000E+01 volume
0.13574E+01 ppm1
9.153
ppm2
6.913

ASSI {2471}

((segid “PROT” and resid 106 and name HN))

((segid “PROT” and resid 106 and name HA))

2.900
2.100
2.100 peak
2471
weight
0.10000E+01 volume
0.45571E+01 ppm1
9.146
ppm2
3.977

ASSI {2481}

((segid “PROT” and resid 106 and name HN))

((segid “PROT” and resid 106 and name HB1))

2.700
1.800
1.800 peak
2481
weight
0.10000E+01 volume
0.65451E+01 ppm1
9.149
ppm2
3.314

ASSI {2491}

((segid “PROT” and resid 106 and name HN))

((segid “PROT” and resid 106 and name HB2))

2.500
1.600
1.600 peak
2491
weight
0.10000E+01 volume
0.92358E+01 ppm1
9.148
ppm2
3.100

ASSI {2511}

((segid “PROT” and resid 106 and name HN))

(segid “PROT” and resid 25 and name HG1%)

3.500
3.100
2.000 peak
2511
weight
0.10000E+01 volume
0.14013E+01 ppm1
9.149
ppm2
1.222

ASSI {2521}

((segid “PROT” and resid 106 and name HN))

((segid “PROT” and resid 104 and name HN))

3.300
2.700
2.200 peak
2521
weight
0.10000E+01 volume
0.18869E+01 ppm1
9.146
ppm2
7.178

ASSI {2541}

((segid “PROT” and resid 106 and name HN))

((segid “PROT” and resid 105 and name HA))

3.500
3.100
2.000 peak
2541
weight
0.10000E+01 volume
0.14398E+01 ppm1
9.142
ppm2
4.338

ASSI {2551}

((segid “PROT” and resid 106 and name HN))

((segid “PROT” and resid 104 and name HA))

3.400
2.900
2.100 peak
2551
weight
0.10000E+01 volume
0.15238E+01 ppm1
9.143
ppm2
4.087

ASSI {2561}

((segid “PROT” and resid 106 and name HN))

(segid “PROT” and resid 102 and name HD2%)

3.400
2.900
2.100 peak
2561
weight
0.10000E+01 volume
0.15872E+01 ppm1
9.146
ppm2
0.732

ASSI {2571}

((segid “PROT” and resid 84 and name HN))

((segid “PROT” and resid 83 and name HA))

3.300
2.700
2.200 peak
2571
weight
0.10000E+01 volume
0.17659E+01 ppm1
8.875
ppm2
3.865

ASSI {2581}

((segid “PROT” and resid 84 and name HN))

((segid “PROT” and resid 83 and name HN))

2.600
1.700
1.700 peak
2581
weight
0.10000E+01 volume
0.75945E+01 ppm1
8.874
ppm2
9.085

ASSI {2601}

((segid “PROT” and resid 84 and name HN))

((segid “PROT” and resid 80 and name HN))

3.200
2.600
2.300 peak
2601
weight
0.10000E+01 volume
0.21504E+01 ppm1
8.870
ppm2
7.410

ASSI {2611}

((segid “PROT” and resid 84 and name HN))

((segid “PROT” and resid 85 and name HN))

2.800
2.000
2.000 peak
2611
weight
0.10000E+01 volume
0.55696E+01 ppm1
8.872
ppm2
6.913

ASSI {2621}

((segid “PROT” and resid 84 and name HN))

((segid “PROT” and resid 82 and name HN))

3.500
3.100
2.000 peak
2621
weight
0.10000E+01 volume
0.13351E+01 ppm1
8.872
ppm2
6.408

ASSI {2631}

((segid “PROT” and resid 84 and name HN))

((segid “PROT” and resid 84 and name HA))

2.700
1.800
1.800 peak
2631
weight
0.10000E+01 volume
0.67391E+01 ppm1
8.874
ppm2
4.314

ASSI {2641}

((segid “PROT” and resid 84 and name HN))

((segid “PROT” and resid 83 and name HB))

2.800
2.000
2.000 peak
2641
weight
0.10000E+01 volume
0.51222E+01 ppm1
8.874
ppm2
4.216

ASSI {2651}

((segid “PROT” and resid 84 and name HN))

((segid “PROT” and resid 80 and name HA))

3.000
2.200
2.200 peak
2651
weight
0.10000E+01 volume
0.35702E+01 ppm1
8.873
ppm2
4.073

ASSI {2661}

((segid “PROT” and resid 84 and name HN))

((segid “PROT” and resid 81 and name HA))

3.200
2.600
2.300 peak
2661
weight
0.10000E+01 volume
0.24366E+01 ppm1
8.875
ppm2
3.080

ASSI {2671}

((segid “PROT” and resid 84 and name HN))

((segid “PROT” and resid 84 and name HB1))

2.800
2.000
2.000 peak
2671
weight
0.10000E+01 volume
0.49574E+01 ppm1
8.874
ppm2
2.988

ASSI {2681}

((segid “PROT” and resid 84 and name HN))

((segid “PROT” and resid 84 and name HB2))

3.000
2.200
2.200 peak
2681
weight
0.10000E+01 volume
0.34031E+01 ppm1
8.873
ppm2
2.695

ASSI {2691}

((segid “PROT” and resid 84 and name HN))

(segid “PROT” and resid 83 and name HG2%)

3.000
2.200
2.200 peak
2691
weight
0.10000E+01 volume
0.32105E+01 ppm1
8.872
ppm2
1.322

ASSI {2701}

((segid “PROT” and resid 40 and name HN))

((segid “PROT” and resid 40 and name HA))

3.200
2.600
2.300 peak
2701
weight
0.10000E+01 volume
0.21281E+01 ppm1
8.066
ppm2
3.679

ASSI {2721}

((segid “PROT” and resid 40 and name HN))

((segid “PROT” and resid 42 and name HN))

2.600
1.700
1.700 peak
2721
weight
0.10000E+01 volume
0.84529E+01 ppm1
8.061
ppm2
7.182

ASSI {2741}

((segid “PROT” and resid 17 and name HN))

((segid “PROT” and resid 15 and name HB2))

3.300
2.700
2.200 peak
2741
weight
0.10000E+01 volume
0.20300E+01 ppm1
8.061
ppm2
3.089

ASSI {2751}

((segid “PROT” and resid 40 and name HN))

((segid “PROT” and resid 39 and name HB2))

2.800
2.000
2.000 peak
2751
weight
0.10000E+01 volume
0.54119E+01 ppm1
8.061
ppm2
1.944

ASSI {2761}

((segid “PROT” and resid 112 and name HN))

((segid “PROT” and resid 111 and name HB2))

2.500
1.600
1.600 peak
2761
weight
0.10000E+01 volume
0.91964E+01 ppm1
8.060
ppm2
1.761

ASSI {2781}

((segid “PROT” and resid 40 and name HN))

((segid “PROT” and resid 39 and name HG2))

2.900
2.100
2.100 peak
2781
weight
0.10000E+01 volume
0.40049E+01 ppm1
8.058
ppm2
1.420

ASSI {2791}

((segid “PROT” and resid 40 and name HN))

(segid “PROT” and resid 41 and name HG2%)

2.600
1.700
1.700 peak
2791
weight
0.10000E+01 volume
0.90273E+01 ppm1
8.059
ppm2
1.310

ASSI {2811}

((segid “PROT” and resid 18 and name HN))

((segid “PROT” and resid 16 and name HN))

3.300
2.700
2.200 peak
2811
weight
0.10000E+01 volume
0.18261E+01 ppm1
8.480
ppm2
8.180

ASSI {2821}

((segid “PROT” and resid 18 and name HN))

((segid “PROT” and resid 15 and name HA))

3.200
2.600
2.300 peak
2821
weight
0.10000E+01 volume
0.23600E+01 ppm1
8.479
ppm2
4.068

ASSI {2831}

((segid “PROT” and resid 18 and name HN))

((segid “PROT” and resid 18 and name HB2))

3.100
2.400
2.400 peak
2831
weight
0.10000E+01 volume
0.28105E+01 ppm1
8.479
ppm2
0.321

ASSI {2841}

((segid “PROT” and resid 18 and name HN))

((segid “PROT” and resid 19 and name HN))

2.700
1.800
1.800 peak
2841
weight
0.10000E+01 volume
0.63709E+01 ppm1
8.477
ppm2
8.560

ASSI {2861}

((segid “PROT” and resid 18 and name HN))

((segid “PROT” and resid 17 and name HB))

2.800
2.000
2.000 peak
2861
weight
0.10000E+01 volume
0.46980E+01 ppm1
8.476
ppm2
4.264

ASSI {2871}

((segid “PROT” and resid 18 and name HN))

((segid “PROT” and resid 17 and name HA))

3.200
2.600
2.300 peak
2871
weight
0.10000E+01 volume
0.23422E+01 ppm1
8.476
ppm2
3.944

ASSI {2881}

((segid “PROT” and resid 18 and name HN))

((segid “PROT” and resid 18 and name HA))

3.000
2.200
2.200 peak
2881
weight
0.10000E+01 volume
0.32947E+01 ppm1
8.474
ppm2
3.286

ASSI {2891}

((segid “PROT” and resid 18 and name HN))

((segid “PROT” and resid 18 and name HG))

2.700
1.800
1.800 peak
2891
weight
0.10000E+01 volume
0.63912E+01 ppm1
8.475
ppm2
1.680

ASSI {2901}

((segid “PROT” and resid 18 and name HN))

((segid “PROT” and resid 18 and name HB1))

2.800
2.000
2.000 peak
2901
weight
0.10000E+01 volume
0.48006E+01 ppm1
8.475
ppm2
1.523

ASSI {2911}

((segid “PROT” and resid 18 and name HN))

(segid “PROT” and resid 17 and name HG2%)

3.000
2.200
2.200 peak
2911
weight
0.10000E+01 volume
0.31480E+01 ppm1
8.476
ppm2
1.153

ASSI {2931}

((segid “PROT” and resid 18 and name HN))

(segid “PROT” and resid 14 and name HD2%)

3.300
2.700
2.200 peak
2931
weight
0.10000E+01 volume
0.20785E+01 ppm1
8.476
ppm2
0.807

ASSI {2941}

((segid “PROT” and resid 18 and name HN))

(segid “PROT” and resid 18 and name HD1%)

3.000
2.200
2.200 peak
2941
weight
0.10000E+01 volume
0.31846E+01 ppm1
8.476
ppm2
0.482

ASSI {2951}

((segid “PROT” and resid 18 and name HN))

(segid “PROT” and resid 18 and name HD2%)

2.900
2.100
2.100 peak
2951
weight
0.10000E+01 volume
0.41898E+01 ppm1
8.475
ppm2
−0.188

ASSI {2961}

((segid “PROT” and resid 21 and name HN))

((segid “PROT” and resid 19 and name HN))

3.100
2.400
2.400 peak
2961
weight
0.10000E+01 volume
0.28005E+01 ppm1
7.926
ppm2
8.572

ASSI {2981}

((segid “PROT” and resid 21 and name HN))

((segid “PROT” and resid 20 and name HB1))

2.600
1.700
1.700 peak
2981
weight
0.10000E+01 volume
0.74039E+01 ppm1
7.927
ppm2
4.077

ASSI {2991}

((segid “PROT” and resid 21 and name HN))

((segid “PROT” and resid 21 and name HB))

2.500
1.600
1.600 peak
2991
weight
0.10000E+01 volume
0.92632E+01 ppm1
7.926
ppm2
1.918

ASSI {3001}

((segid “PROT” and resid 21 and name HN))

((segid “PROT” and resid 109 and name HB1))

2.600
1.700
1.700 peak
3001
weight
0.10000E+01 volume
0.77416E+01 ppm1
7.928
ppm2
1.766

ASSI {3011}

((segid “PROT” and resid 21 and name HN))

(segid “PROT” and resid 21 and name HG2%)

2.700
1.800
1.800 peak
3011
weight
0.10000E+01 volume
0.61275E+01 ppm1
7.928
ppm2
1.014

ASSI {3021}

((segid “PROT” and resid 21 and name HN))

((segid “PROT” and resid 22 and name HN))

2.600
1.700
1.700 peak
3021
weight
0.10000E+01 volume
0.72631E+01 ppm1
7.925
ppm2
8.852

ASSI {3041}

((segid “PROT” and resid 21 and name HN))

((segid “PROT” and resid 21 and name HA))

2.900
2.100
2.100 peak
3041
weight
0.10000E+01 volume
0.45192E+01 ppm1
7.925
ppm2
3.776

ASSI {3051}

((segid “PROT” and resid 21 and name HN))

((segid “PROT” and resid 18 and name HA))

3.300
2.700
2.200 peak
3051
weight
0.10000E+01 volume
0.20113E+01 ppm1
7.922
ppm2
3.290

ASSI {3061}

((segid “PROT” and resid 21 and name HN))

(segid “PROT” and resid 21 and name HD1%)

2.900
2.100
2.100 peak
3061
weight
0.10000E+01 volume
0.38874E+01 ppm1
7.925
ppm2
0.629

ASSI {3071}

((segid “PROT” and resid 63 and name HN))

((segid “PROT” and resid 62 and name HN))

2.800
2.000
2.000 peak
3071
weight
0.10000E+01 volume
0.52291E+01 ppm1
8.888
ppm2
8.376

ASSI {3081}

((segid “PROT” and resid 63 and name HN))

((segid “PROT” and resid 61 and name HN))

3.300
2.700
2.200 peak
3081
weight
0.10000E+01 volume
0.18178E+01 ppm1
8.888
ppm2
8.161

ASSI {3091}

((segid “PROT” and resid 63 and name HN))

((segid “PROT” and resid 64 and name HN))

2.700
1.800
1.800 peak
3091
weight
0.10000E+01 volume
0.60476E+01 ppm1
8.888
ppm2
8.016

ASSI {3121}

((segid “PROT” and resid 63 and name HN))

((segid “PROT” and resid 62 and name HA))

3.400
2.900
2.100 peak
3121
weight
0.10000E+01 volume
0.15880E+01 ppm1
8.892
ppm2
3.879

ASSI {3131}

((segid “PROT” and resid 63 and name HN))

((segid “PROT” and resid 63 and name HB1))

2.700
1.800
1.800 peak
3131
weight
0.10000E+01 volume
0.58695E+01 ppm1
8.888
ppm2
2.320

ASSI {3141}

((segid “PROT” and resid 63 and name HN))

((segid “PROT” and resid 62 and name HB1))

2.800
2.000
2.000 peak
3141
weight
0.10000E+01 volume
0.46788E+01 ppm1
8.888
ppm2
2.057

ASSI {3151}

((segid “PROT” and resid 63 and name HN))

((segid “PROT” and resid 63 and name HB2))

2.700
1.800
1.800 peak
3151
weight
0.10000E+01 volume
0.63702E+01 ppm1
8.886
ppm2
1.941

ASSI {3161}

((segid “PROT” and resid 63 and name HN))

((segid “PROT” and resid 63 and name HG))

3.100
2.400
2.400 peak
3161
weight
0.10000E+01 volume
0.27969E+01 ppm1
8.889
ppm2
1.820

ASSI {3171}

((segid “PROT” and resid 63 and name HN))

(segid “PROT” and resid 63 and name HD2%)

3.000
2.200
2.200 peak
3171
weight
0.10000E+01 volume
0.35417E+01 ppm1
8.888
ppm2
1.060

ASSI {3181}

((segid “PROT” and resid 17 and name HN))

((segid “PROT” and resid 18 and name HN))

2.500
1.600
1.600 peak
3181
weight
0.10000E+01 volume
0.95309E+01 ppm1
8.069
ppm2
8.473

ASSI {3191}

((segid “PROT” and resid 17 and name HN))

((segid “PROT” and resid 16 and name HN))

2.500
1.600
1.600 peak
3191
weight
0.10000E+01 volume
0.10057E+02 ppm1
8.071
ppm2
8.187

ASSI {3201}

((segid “PROT” and resid 17 and name HN))

((segid “PROT” and resid 20 and name HN))

3.400
2.900
2.100 peak
3201
weight
0.10000E+01 volume
0.15862E+01 ppm1
8.066
ppm2
7.549

ASSI {3211}

((segid “PROT” and resid 17 and name HN))

((segid “PROT” and resid 17 and name HB))

2.500
1.600
1.600 peak
3211
weight
0.10000E+01 volume
0.10024E+02 ppm1
8.069
ppm2
4.262

ASSI {3221}

((segid “PROT” and resid 17 and name HN))

((segid “PROT” and resid 15 and name HA))

2.600
1.700
1.700 peak
3221
weight
0.10000E+01 volume
0.85882E+01 ppm1
8.069
ppm2
4.044

ASSI {3231}

((segid “PROT” and resid 17 and name HN))

((segid “PROT” and resid 17 and name HA))

2.500
1.600
1.600 peak
3231
weight
0.10000E+01 volume
0.93972E+01 ppm1
8.070
ppm2
3.947

ASSI {3241}

((segid “PROT” and resid 17 and name HN))

(segid “PROT” and resid 17 and name HG2%)

2.900
2.100
2.100 peak
3241
weight
0.10000E+01 volume
0.44457E+01 ppm1
8.070
ppm2
1.153

ASSI {3271}

((segid “PROT” and resid 21 and name HN))

((segid “PROT” and resid 17 and name HA))

3.100
2.400
2.400 peak
3271
weight
0.10000E+01 volume
0.29963E+01 ppm1
7.934
ppm2
3.946

ASSI {3291}

((segid “PROT” and resid 21 and name HN))

((segid “PROT” and resid 20 and name HA))

3.200
2.600
2.300 peak
3291
weight
0.10000E+01 volume
0.25173E+01 ppm1
7.926
ppm2
4.300

ASSI {3321}

((segid “PROT” and resid 63 and name HN))

((segid “PROT” and resid 62 and name HG2))

3.200
2.600
2.300 peak
3321
weight
0.10000E+01 volume
0.23209E+01 ppm1
8.888
ppm2
0.886

ASSI {3331}

((segid “PROT” and resid 62 and name HN))

((segid “PROT” and resid 60 and name HN))

3.500
3.100
2.000 peak
3331
weight
0.10000E+01 volume
0.13912E+01 ppm1
8.384
ppm2
7.972

ASSI {3341}

((segid “PROT” and resid 62 and name HN))

((segid “PROT” and resid 62 and name HD1))

3.500
3.100
2.000 peak
3341
weight
0.10000E+01 volume
0.13872E+01 ppm1
8.383
ppm2
2.575

ASSI {3351}

((segid “PROT” and resid 62 and name HN))

((segid “PROT” and resid 63 and name HB1))

3.500
3.100
2.000 peak
3351
weight
0.10000E+01 volume
0.14084E+01 ppm1
8.384
ppm2
2.382

ASSI {3361}

((segid “PROT” and resid 62 and name HN))

((segid “PROT” and resid 62 and name HG1))

3.000
2.200
2.200 peak
3361
weight
0.10000E+01 volume
0.33068E+01 ppm1
8.384
ppm2
1.733

ASSI {3371}

((segid “PROT” and resid 62 and name HN))

((segid “PROT” and resid 62 and name HG2))

3.200
2.600
2.300 peak
3371
weight
0.10000E+01 volume
0.23585E+01 ppm1
8.382
ppm2
0.889

ASSI {3401}

((segid “PROT” and resid 62 and name HN))

((segid “PROT” and resid 59 and name HA))

3.400
2.900
2.100 peak
3401
weight
0.10000E+01 volume
0.16609E+01 ppm1
8.380
ppm2
4.316

ASSI {3411}

((segid “PROT” and resid 62 and name HN))

((segid “PROT” and resid 60 and name HB2))

3.400
2.900
2.100 peak
3411
weight
0.10000E+01 volume
0.15850E+01 ppm1
8.379
ppm2
4.058

ASSI {3421}

((segid “PROT” and resid 62 and name HN))

((segid “PROT” and resid 62 and name HA))

3.000
2.200
2.200 peak
3421
weight
0.10000E+01 volume
0.37803E+01 ppm1
8.379
ppm2
3.882

ASSI {3431}

((segid “PROT” and resid 62 and name HN))

((segid “PROT” and resid 61 and name HB1))

2.900
2.100
2.100 peak
3431
weight
0.10000E+01 volume
0.46420E+01 ppm1
8.378
ppm2
2.239

ASSI {3441}

((segid “PROT” and resid 62 and name HN))

((segid “PROT” and resid 62 and name HB1))

2.600
1.700
1.700 peak
3441
weight
0.10000E+01 volume
0.77987E+01 ppm1
8.379
ppm2
2.071

ASSI {3451}

((segid “PROT” and resid 62 and name HN))

((segid “PROT” and resid 62 and name HB2))

3.000
2.200
2.200 peak
3451
weight
0.10000E+01 volume
0.36613E+01 ppm1
8.380
ppm2
1.079

ASSI {3461}

((segid “PROT” and resid 64 and name HN))

((segid “PROT” and resid 64 and name HA))

2.500
1.600
1.600 peak
3461
weight
0.10000E+01 volume
0.92573E+01 ppm1
8.027
ppm2
4.344

ASSI {3471}

((segid “PROT” and resid 64 and name HN))

((segid “PROT” and resid 61 and name HA))

2.800
2.000
2.000 peak
3471
weight
0.10000E+01 volume
0.51878E+01 ppm1
8.029
ppm2
4.057

ASSI {3491}

((segid “PROT” and resid 64 and name HN))

((segid “PROT” and resid 64 and name HD1))

2.900
2.100
2.100 peak
3491
weight
0.10000E+01 volume
0.43075E+01 ppm1
8.029
ppm2
1.803

ASSI {3501}

((segid “PROT” and resid 64 and name HN

((segid “PROT” and resid 64 and name HG1))

2.900
2.100
2.100 peak
3501
weight
0.10000E+01 volume
0.45945E+01 ppm1
8.024
ppm2
1.645

ASSI {3521}

((segid “PROT” and resid 64 and name HN))

((segid “PROT” and resid 62 and name HN))

3.500
3.100
2.000 peak
3521
weight
0.10000E+01 volume
0.12743E+01 ppm1
8.021
ppm2
8.369

ASSI {3531}

((segid “PROT” and resid 64 and name HN))

((segid “PROT” and resid 63 and name HB1))

2.800
2.000
2.000 peak
3531
weight
0.10000E+01 volume
0.56024E+01 ppm1
8.020
ppm2
2.320

ASSI {3541}

((segid “PROT” and resid 64 and name HN))

((segid “PROT” and resid 64 and name HB1))

2.200
1.200
1.200 peak
3541
weight
0.10000E+01 volume
0.19404E+02 ppm1
8.019
ppm2
2.060

ASSI {3551}

((segid “PROT” and resid 64 and name HN))

(segid “PROT” and resid 63 and name HD2%)

3.300
2.700
2.200 peak
3551
weight
0.10000E+01 volume
0.19248E+01 ppm1
8.021
ppm2
1.055

ASSI {3561}

((segid “PROT” and resid 64 and name HN))

((segid “PROT” and resid 63 and name HD1%)

3.200
2.600
2.300 peak
3561
weight
0.10000E+01 volume
0.25258E+01 ppm1
8.021
ppm2
0.890

ASSI {3571}

((segid “PROT” and resid 22 and name HN))

((segid “PROT” and resid 21 and name HA))

3.400
2.900
2.100 peak
3571
weight
0.10000E+01 volume
0.16579E+01 ppm1
8.852
ppm2
3.768

ASSI {3581}

((segid “PROT” and resid 72 and name HN))

((segid “PROT” and resid 72 and name HA))

3.000
2.200
2.200 peak
3581
weight
0.10000E+01 volume
0.37203E+01 ppm1
8.211
ppm2
4.061

ASSI {3591}

((segid “PROT” and resid 72 and name HN))

((segid “PROT” and resid 72 and name HB1))

2.800
2.000
2.000 peak
3591
weight
0.10000E+01 volume
0.46635E+01 ppm1
8.210
ppm2
1.925

ASSI {3601}

((segid “PROT” and resid 72 and name HN))

((segid “PROT” and resid 73 and name HN))

3.000
2.200
2.200 peak
3601
weight
0.10000E+01 volume
0.32739E+01 ppm1
8.206
ppm2
7.441

ASSI {3611}

((segid “PROT” and resid 99 and name HN))

((segid “PROT” and resid 97 and name HA))

3.100
2.400
2.400 peak
3611
weight
0.10000E+01 volume
0.27035E+01 ppm1
8.191
ppm2
4.210

ASSI {3621}

((segid “PROT” and resid 72 and name HN))

((segid “PROT” and resid 72 and name HB2))

2.800
2.000
2.000 peak
3621
weight
0.10000E+01 volume
0.47097E+01 ppm1
8.208
ppm2
1.850

ASSI {3631}

((segid “PROT” and resid 72 and name HN))

((segid “PROT” and resid 72 and name HG1))

3.100
2.400
2.400 peak
3631
weight
0.10000E+01 volume
0.30016E+01 ppm1
8.207
ppm2
1.539

ASSI {3641}

((segid “PROT” and resid 72 and name HN))

((segid “PROT” and resid 6 and name HG1))

3.300
2.700
2.200 peak
3641
weight
0.10000E+01 volume
0.18696E+01 ppm1
8.199
ppm2
1.432

ASSI {3661}

((segid “PROT” and resid 99 and name HN))

((segid “PROT” and resid 100 and name HN))

2.600
1.700
1.700 peak
3661
weight
0.10000E+01 volume
0.76299E+01 ppm1
8.188
ppm2
8.080

ASSI {3671}

((segid “PROT” and resid 99 and name HN))

((segid “PROT” and resid 97 and name HN))

3.400
2.900
2.100 peak
3671
weight
0.10000E+01 volume
0.17229E+01 ppm1
8.189
ppm2
7.960

ASSI {3681}

((segid “PROT” and resid 99 and name HN))

((segid “PROT” and resid 100 and name HA))

3.600
3.200
1.900 peak
3681
weight
0.10000E+01 volume
0.12058E+01 ppm1
8.193
ppm2
4.341

ASSI {3691}

((segid “PROT” and resid 99 and name HN))

((segid “PROT” and resid 99 and name HA))

2.900
2.100
2.100 peak
3691
weight
0.10000E+01 volume
0.45059E+01 ppm1
8.192
ppm2
3.884

ASSI {3701}

((segid “PROT” and resid 99 and name HN))

((segid “PROT” and resid 98 and name HB1))

3.300
2.700
2.200 peak
3701
weight
0.10000E+01 volume
0.19188E+01 ppm1
8.188
ppm2
3.381

ASSI {3711}

((segid “PROT” and resid 99 and name HN))

((segid “PROT” and resid 98 and name HB2))

3.100
2.400
2.400 peak
3711
weight
0.10000E+01 volume
0.26963E+01 ppm1
8.193
ppm2
3.033

ASSI {3721}

((segid “PROT” and resid 99 and name HN))

(segid “PROT” and resid 99 and name HB%)

2.500
1.600
1.600 peak
3721
weight
0.10000E+01 volume
0.10441E+02 ppm1
8.191
ppm2
1.632

ASSI {3731}

((segid “PROT” and resid 64 and name HN))

((segid “PROT” and resid 64 and name HE1))

3.400
2.900
2.100 peak
3731
weight
0.10000E+01 volume
0.15156E+01 ppm1
8.019
ppm2
3.024

ASSI {3761}

((segid “PROT” and resid 22 and name HN))

((segid “PROT” and resid 22 and name HA))

2.800
2.000
2.000 peak
3761
weight
0.10000E+01 volume
0.47526E+01 ppm1
8.854
ppm2
4.126

ASSI {3771}

((segid “PROT” and resid 22 and name HN))

((segid “PROT” and resid 22 and name HB1))

2.700
1.800
1.800 peak
3771
weight
0.10000E+01 volume
0.60546E+01 ppm1
8.854
ppm2
2.103

ASSI {3781}

((segid “PROT” and resid 22 and name HN))

((segid “PROT” and resid 21 and name HB))

2.800
2.000
2.000 peak
3781
weight
0.10000E+01 volume
0.54991E+01 ppm1
8.856
ppm2
1.916

ASSI {3791}

((segid “PROT” and resid 22 and name HN))

((segid “PROT” and resid 22 and name HB2))

2.600
1.700
1.700 peak
3791
weight
0.10000E+01 volume
0.72128E+01 ppm1
8.853
ppm2
1.710

ASSI {3801}

((segid “PROT” and resid 22 and name HN))

((segid “PROT” and resid 19 and name HA))

3.400
2.900
2.100 peak
3801
weight
0.10000E+01 volume
0.15388E+01 ppm1
8.849
ppm2
3.708

ASSI {3821}

((segid “PROT” and resid 22 and name HN))

(segid “PROT” and resid 21 and name HG2%)

2.800
2.000
2.000 peak
3821
weight
0.10000E+01 volume
0.57390E+01 ppm1
8.853
ppm2
1.013

ASSI {3831}

((segid “PROT” and resid 25 and name HN))

((segid “PROT” and resid 23 and name HA))

3.300
2.700
2.200 peak
3831
weight
0.10000E+01 volume
0.17967E+01 ppm1
8.565
ppm2
4.041

ASSI {3841}

((segid “PROT” and resid 25 and name HN))

((segid “PROT” and resid 24 and name HG1))

3.300
2.700
2.200 peak
3841
weight
0.10000E+01 volume
0.18150E+01 ppm1
8.571
ppm2
2.864

ASSI {3861}

((segid “PROT” and resid 25 and name HN))

((segid “PROT” and resid 28 and name HN))

3.400
2.900
2.100 peak
3861
weight
0.10000E+01 volume
0.15678E+01 ppm1
8.564
ppm2
7.564

ASSI {3871}

((segid “PROT” and resid 25 and name HN))

((segid “PROT” and resid 22 and name HA))

3.200
2.600
2.300 peak
3871
weight
0.10000E+01 volume
0.24333E+01 ppm1
8.563
ppm2
4.150

ASSI {3881}

((segid “PROT” and resid 25 and name HN))

((segid “PROT” and resid 25 and name HA))

2.900
2.100
2.100 peak
3881
weight
0.10000E+01 volume
0.44045E+01 ppm1
8.563
ppm2
3.836

ASSI {3891}

((segid “PROT” and resid 25 and name HN))

((segid “PROT” and resid 24 and name HB2))

2.400
2.400
2.100 peak
3891
weight
0.10000E+01 volume
0.11850E+02 ppm1
8.565
ppm2
2.408

ASSI {3901}

((segid “PROT” and resid 25 and name HN))

((segid “PROT” and resid 25 and name HB))

2.600
1.700
1.700 peak
3901
weight
0.10000E+01 volume
0.74683E+01 ppm1
8.565
ppm2
2.458

ASSI {3911}

((segid “PROT” and resid 25 and name HN))

(segid “PROT” and resid 25 and name HG1%)

2.500
1.600
1.600 peak
3911
weight
0.10000E+01 volume
0.10519E+02 ppm1
8.564
ppm2
1.210

ASSI {3921}

((segid “PROT” and resid 25 and name HN))

(segid “PROT” and resid 21 and name HG2%)

2.800
2.000
2.000 peak
3921
weight
0.10000E+01 volume
0.56705E+01 ppm1
8.565
ppm2
1.036

ASSI {3941}

((segid “PROT” and resid 76 and name HN))

((segid “PROT” and resid 74 and name HN))

3.300
2.700
2.200 peak
3941
weight
0.10000E+01 volume
0.18542E+01 ppm1
8.021
ppm2
6.919

ASSI {3951}

((segid “PROT” and resid 101 and name HN))

((segid “PROT” and resid 98 and name HA))

2.800
2.000
2.000 peak
3951
weight
0.10000E+01 volume
0.56914E+01 ppm1
8.017
ppm2
4.218

ASSI {3961}

((segid “PROT” and resid 76 and name HN))

((segid “PROT” and resid 75 and name HA))

2.500
1.600
1.600 peak
3961
weight
0.10000E+01 volume
0.10452E+02 ppm1
8.020
ppm2
4.091

ASSI {3971}

((segid “PROT” and resid 101 and name HN))

((segid “PROT” and resid 99 and name HA))

3.100
2.400
2.400 peak
3971
weight
0.10000E+01 volume
0.27135E+01 ppm1
8.020
ppm2
3.936

ASSI {3981}

((segid “PROT” and resid 76 and name HN))

((segid “PROT” and resid 74 and name HA))

3.500
3.100
2.000 peak
3981
weight
0.10000E+01 volume
0.14645E+01 ppm1
8.019
ppm2
3.766

ASSI {3991}

((segid “PROT” and resid 101 and name HN))

((segid “PROT” and resid 100 and name HB1))

2.800
2.000
2.000 peak
3991
weight
0.10000E+01 volume
0.46606E+01 ppm1
8.016
ppm2
2.920

ASSI {4001}

((segid “PROT” and resid 101 and name HN))

((segid “PROT” and resid 100 and name HA))

3.000
2.200
2.200 peak
4001
weight
0.10000E+01 volume
0.32888E+01 ppm1
8.015
ppm2
4.334

ASSI {4011}

((segid “PROT” and resid 76 and name HN))

((segid “PROT” and resid 75 and name HG1))

2.900
2.100
2.100 peak
4011
weight
0.10000E+01 volume
0.42412E+01 ppm1
8.020
ppm2
2.320

ASSI {4031}

((segid “PROT” and resid 101 and name HN))

((segid “PROT” and resid 101 and name HA))

2.800
2.000
2.000 peak
4031
weight
0.10000E+01 volume
0.55917E+01 ppm1
8.014
ppm2
3.673

ASSI {4041}

((segid “PROT” and resid 101 and name HN))

((segid “PROT” and resid 100 and name HB2))

3.000
2.200
2.200 peak
4041
weight
0.10000E+01 volume
0.35319E+01 ppm1
8.015
ppm2
2.818

ASSI {4051}

((segid “PROT” and resid 101 and name HN))

((segid “PROT” and resid 101 and name HG11))

2.400
1.400
1.400 peak
4051
weight
0.10000E+01 volume
0.13903E+02 ppm1
8.014
ppm2
1.901

ASSI {4061}

((segid “PROT” and resid 101 and name HN))

((segid “PROT” and resid 101 and name HG12))

2.900
2.100
2.100 peak
4061
weight
0.10000E+01 volume
0.44776E+01 ppm1
8.014
ppm2
1.223

ASSI {4071}

((segid “PROT” and resid 101 and name HN))

(segid “PROT” and resid 101 and name HD1%)

2.600
1.700
1.700 peak
4071
weight
0.10000E+01 volume
0.77589E+01 ppm1
8.014
ppm2
0.990

ASSI {4081}

((segid “PROT” and resid 96 and name HN))

(segid “PROT” and resid 96 and name HD%)

3.200
2.600
2.300 peak
4081
weight
0.10000E+01 volume
0.23492E+01 ppm1
7.370
ppm2
7.132

ASSI {4101}

((segid “PROT” and resid 96 and name HN))

((segid “PROT” and resid 89 and name HB2))

3.100
2.400
2.400 peak
4101
weight
0.10000E+01 volume
0.28581E+01 ppm1
7.368
ppm2
2.926

ASSI {4111}

((segid “PROT” and resid 96 and name HN))

((segid “PROT” and resid 96 and name HB2))

2.800
2.000
2.000 peak
4111
weight
0.10000E+01 volume
0.54335E+01 ppm1
7.367
ppm2
2.566

ASSI {4131}

((segid “PROT” and resid 96 and name HN))

((segid “PROT” and resid 96 and name HA))

2.900
2.100
2.100 peak
4131
weight
0.10000E+01 volume
0.38508E+01 ppm1
7.361
ppm2
3.798

ASSI {4141}

((segid “PROT” and resid 12 and name HN))

((segid “PROT” and resid 12 and name HA))

2.500
1.600
1.600 peak
4141
weight
0.10000E+01 volume
0.10299E+02 ppm1
8.423
ppm2
4.706

ASSI {4151}

((segid “PROT” and resid 12 and name HN))

((segid “PROT” and resid 11 and name HD1))

2.900
2.100
2.100 peak
4151
weight
0.10000E+01 volume
0.44553E+01 ppm1
8.423
ppm2
3.878

ASSI {4161}

((segid “PROT” and resid 12 and name HN))

((segid “PROT” and resid 15 and name HB2))

3.600
3.200
1.900 peak
4161
weight
0.10000E+01 volume
0.12071E+01 ppm1
8.424
ppm2
3.067

ASSI {4171}

((segid “PROT” and resid 12 and name HN))

((segid “PROT” and resid 12 and name HB2))

2.500
1.600
1.600 peak
4171
weight
0.10000E+01 volume
0.10156E+02 ppm1
8.422
ppm2
2.762

ASSI {4181}

((segid “PROT” and resid 12 and name HN))

((segid “PROT” and resid 11 and name HB1))

3.300
2.700
2.200 peak
4181
weight
0.10000E+01 volume
0.18905E+01 ppm1
8.423
ppm2
2.358

ASSI {4191}

((segid “PROT” and resid 12 and name HN))

((segid “PROT” and resid 13 and name HB1))

3.300
2.700
2.200 peak
4191
weight
0.10000E+01 volume
0.19426E+01 ppm1
8.422
ppm2
2.160

ASSI {4201}

((segid “PROT” and resid 12 and name HN))

((segid “PROT” and resid 11 and name HB2))

2.900
2.100
2.100 peak
4201
weight
0.10000E+01 volume
0.38127E+01 ppm1
8.424
ppm2
2.084

ASSI {4211}

((segid “PROT” and resid 12 and name HN))

((segid “PROT” and resid 13 and name HN))

2.600
1.700
1.700 peak
4211
weight
0.10000E+01 volume
0.86085E+01 ppm1
8.421
ppm2
8.184

ASSI {4221}

((segid “PROT” and resid 12 and name HN))

((segid “PROT” and resid 10 and name HA))

3.600
3.200
1.900 peak
4221
weight
0.10000E+01 volume
0.11464E+01 ppm1
8.420
ppm2
4.904

ASSI {4231}

((segid “PROT” and resid 12 and name HN))

((segid “PROT” and resid 11 and name HA))

2.800
2.000
2.000 peak
4231
weight
0.10000E+01 volume
0.54533E+01 ppm1
8.421
ppm2
4.353

ASSI {4251}

((segid “PROT” and resid 76 and name HN))

((segid “PROT” and resid 75 and name HB2))

3.400
2.900
2.100 peak
4251
weight
0.10000E+01 volume
0.17162E+01 ppm1
8.022
ppm2
2.617

ASSI {4261}

((segid “PROT” and resid 76 and name HN))

((segid “PROT” and resid 75 and name HG2))

2.800
2.000
2.000 peak
4261
weight
0.10000E+01 volume
0.53106E+01 ppm1
8.020
ppm2
2.216

ASSI {4271}

((segid “PROT” and resid 76 and name HN))

(segid “PROT” and resid 76 and name HB%)

2.200
1.200
1.200 peak
4271
weight
0.10000E+01 volume
0.22283E+02 ppm1
8.021
ppm2
1.511

ASSI {4291}

((segid “PROT” and resid 78 and name HN))

((segid “PROT” and resid 77 and name HA))

2.700
1.800
1.800 peak
4291
weight
0.10000E+01 volume
0.65577E+01 ppm1
7.380
ppm2
4.367

ASSI {4301}

((segid “PROT” and resid 78 and name HN))

((segid “PROT” and resid 75 and name HA))

2.900
2.100
2.100 peak
4301
weight
0.10000E+01 volume
0.39670E+01 ppm1
7.381
ppm2
4.089

ASSI {4311}

((segid “PROT” and resid 78 and name HN))

((segid “PROT” and resid 78 and name HA))

2.800
2.000
2.000 peak
4311
weight
0.10000E+01 volume
0.53868E+01 ppm1
7.380
ppm2
3.389

ASSI {4321}

((segid “PROT” and resid 78 and name HN))

((segid “PROT” and resid 80 and name HB1))

3.300
2.700
2.200 peak
4321
weight
0.10000E+01 volume
0.21033E+01 ppm1
7.381
ppm2
1.980

ASSI {4361}

((segid “PROT” and resid 96 and name HN))

((segid “PROT” and resid 94 and name HA))

3.200
2.600
2.300 peak
4361
weight
0.10000E+01 volume
0.24482E+01 ppm1
7.375
ppm2
4.225

ASSI {4371}

((segid “PROT” and resid 78 and name HN))

((segid “PROT” and resid 77 and name HB1))

2.500
1.600
1.600 peak
4371
weight
0.10000E+01 volume
0.10999E+02 ppm1
7.379
ppm2
2.729

ASSI {4381}

((segid “PROT” and resid 77 and name HN))

(segid “PROT” and resid 76 and name HB%)

2.500
1.600
1.600 peak
4381
weight
0.10000E+01 volume
0.10974E+02 ppm1
7.379
ppm2
1.510

ASSI {4401}

((segid “PROT” and resid 89 and name HD22))

((segid “PROT” and resid 89 and name HD21))

3.000
2.200
2.200 peak
4401
weight
0.10000E+01 volume
0.32494E+01 ppm1
7.821
ppm2
8.354

ASSI {4411}

((segid “PROT” and resid 78 and name HN))

((segid “PROT” and resid 79 and name HN))

2.600
1.700
1.700 peak
4411
weight
0.10000E+01 volume
0.77884E+01 ppm1
7.385
ppm2
8.099

ASSI {4421}

((segid “PROT” and resid 78 and name HN))

((segid “PROT” and resid 79 and name HB1))

3.300
2.700
2.200 peak
4421
weight
0.10000E+01 volume
0.19297E+01 ppm1
7.385
ppm2
2.189

ASSI {4431}

((segid “PROT” and resid 78 and name HN))

(segid “PROT” and resid 59 and name HE%)

2.700
1.800
1.800 peak
4431
weight
0.10000E+01 volume
0.62776E+01 ppm1
7.384
ppm2
1.280

ASSI {4441}

((segid “PROT” and resid 78 and name HN))

((segid “PROT” and resid 78 and name HB1))

2.600
1.700
1.700 peak
4441
weight
0.10000E+01 volume
0.76075E+01 ppm1
7.385
ppm2
0.719

ASSI {4451}

((segid “PROT” and resid 78 and name HN))

((segid “PROT” and resid 78 and name HB2))

2.600
1.700
1.700 peak
4451
weight
0.10000E+01 volume
0.90536E+01 ppm1
7.384
ppm2
0.446

ASSI {4461}

((segid “PROT” and resid 78 and name HN))

(segid “PROT” and resid 78 and name HD2%)

3.300
2.700
2.200 peak
4461
weight
0.10000E+01 volume
0.20077E+01 ppm1
7.386
ppm2
0.169

ASSI {4471}

((segid “PROT” and resid 78 and name HN))

(segid “PROT” and resid 78 and name HD1%)

3.200
2.600
2.300 peak
4471
weight
0.10000E+01 volume
0.22843E+01 ppm1
7.387
ppm2
0.070

ASSI {4491}

((segid “PROT” and resid 54 and name HN))

((segid “PROT” and resid 55 and name HN))

2.900
2.100
2.100 peak
4491
weight
0.10000E+01 volume
0.44496E+01 ppm1
8.520
ppm2
7.416

ASSI {4501}

((segid “PROT” and resid 54 and name HN))

((segid “PROT” and resid 54 and name HA))

3.200
2.600
2.300 peak
4501
weight
0.10000E+01 volume
0.24899E+01 ppm1
8.520
ppm2
4.962

ASSI {4521}

((segid “PROT” and resid 54 and name HN))

((segid “PROT” and resid 53 and name HB1))

3.000
2.200
2.200 peak
4521
weight
0.10000E+01 volume
0.31395E+01 ppm1
8.520
ppm2
2.246

ASSI {4531}

((segid “PROT” and resid 54 and name HN))

((segid “PROT” and resid 54 and name HG2))

3.300
2.700
2.200 peak
4531
weight
0.10000E+01 volume
0.17850E+01 ppm1
8.520
ppm2
1.915

ASSI {4541}

((segid “PROT” and resid 54 and name HN))

((segid “PROT” and resid 54 and name HB2))

3.400
2.900
2.100 peak
4541
weight
0.10000E+01 volume
0.17029E+01 ppm1
8.526
ppm2
1.348

ASSI {4551}

((segid “PROT” and resid 54 and name HN))

(segid “PROT” and resid 50 and name HG2%)

3.300
2.700
2.200 peak
4551
weight
0.10000E+01 volume
0.17768E+01 ppm1
8.520
ppm2
0.397

ASSI {4561}

((segid “PROT” and resid 54 and name HN))

((segid “PROT” and resid 53 and name HA))

2.600
1.700
1.700 peak
4561
weight
0.10000E+01 volume
0.77293E+01 ppm1
8.518
ppm2
4.099

ASSI {4571}

((segid “PROT” and resid 54 and name HN))

((segid “PROT” and resid 80 and name HB2))

3.300
2.700
2.200 peak
4571
weight
0.10000E+01 volume
0.19268E+01 ppm1
8.520
ppm2
1.983

ASSI {4581}

((segid “PROT” and resid 30 and name HN))

((segid “PROT” and resid 29 and name HN))

3.000
2.200
2.200 peak
4581
weight
0.10000E+01 volume
0.31596E+01 ppm1
11.696
ppm2
8.578

ASSI {4591}

((segid “PROT” and resid 30 and name HN))

((segid “PROT” and resid 31 and name HN))

2.700
1.800
1.800 peak
4591
weight
0.10000E+01 volume
0.65999E+01 ppm1
11.698
ppm2
7.913

ASSI {4601}

((segid “PROT” and resid 30 and name HN))

((segid “PROT” and resid 30 and name HA))

3.000
2.200
2.200 peak
4601
weight
0.10000E+01 volume
0.34965E+01 ppm1
11.695
ppm2
4.829

ASSI {4611}

((segid “PROT” and resid 30 and name HN))

((segid “PROT” and resid 30 and name HB1))

3.100
2.400
2.400 peak
4611
weight
0.10000E+01 volume
0.28201E+01 ppm1
11.695
ppm2
4.332

ASSI {4621}

((segid “PROT” and resid 30 and name HN))

((segid “PROT” and resid 29 and name HA))

3.200
2.600
2.300 peak
4621
weight
0.10000E+01 volume
0.22951E+01 ppm1
11.698
ppm2
4.226

ASSI {4631}

((segid “PROT” and resid 30 and name HN))

((segid “PROT” and resid 30 and name HB2))

2.900
2.100
2.100 peak
4631
weight
0.10000E+01 volume
0.40640E+01 ppm1
11.695
ppm2
3.957

ASSI {4641}

((segid “PROT” and resid 30 and name HN))

((segid “PROT” and resid 29 and name HB1))

3.100
2.400
2.400 peak
4641
weight
0.10000E+01 volume
0.30464E+01 ppm1
11.694
ppm2
2.126

ASSI {4651}

((segid “PROT” and resid 30 and name HN))

((segid “PROT” and resid 31 and name HB%)

3.500
3.100
2.000 peak
4651
weight
0.10000E+01 volume
0.12947E+01 ppm1
11.693
ppm2
1.735

ASSI {4661}

((segid “PROT” and resid 30 and name HN))

(segid “PROT” and resid 101 and name HG2%)

3.600
3.200
1.900 peak
4661
weight
0.10000E+01 volume
0.11385E+01 ppm1
11.694
ppm2
1.011

ASSI {4681}

((segid “PROT” and resid 30 and name HN))

((segid “PROT” and resid 28 and name HN))

3.400
2.900
2.100 peak
4681
weight
0.10000E+01 volume
0.16627E+01 ppm1
11.691
ppm2
7.563

ASSI {4701}

((segid “PROT” and resid 15 and name HN))

((segid “PROT” and resid 14 and name HN))

2.400
1.400
1.400 peak
4701
weight
0.10000E+01 volume
0.11587E+02 ppm1
7.994
ppm2
8.197

ASSI {4711}

((segid “PROT” and resid 15 and name HN))

(segid “PROT” and resid 15 and name HD%)

3.400
2.900
2.100 peak
4711
weight
0.10000E+01 volume
0.16091E+01 ppm1
7.996
ppm2
7.070

ASSI {4721}

((segid “PROT” and resid 15 and name HN))

((segid “PROT” and resid 15 and name HA))

2.600
1.700
1.700 peak
4721
weight
0.10000E+01 volume
0.74337E+01 ppm1
7.995
ppm2
4.026

ASSI {4741}

((segid “PROT” and resid 15 and name HN))

((segid “PROT” and resid 15 and name HB1))

2.600
1.700
1.700 peak
4741
weight
0.10000E+01 volume
0.86825E+01 ppm1
7.994
ppm2
3.218

ASSI {4751}

((segid “PROT” and resid 15 and name HN))

((segid “PROT” and resid 15 and name HB2))

2.600
1.700
1.700 peak
4751
weight
0.10000E+01 volume
0.82436E+01 ppm1
7.993
ppm2
3.047

ASSI {4761}

((segid “PROT” and resid 15 and name HN))

((segid “PROT” and resid 14 and name HB1))

2.900
2.100
2.100 peak
4761
weight
0.10000E+01 volume
0.43406E+01 ppm1
7.994
ppm2
1.858

ASSI {4771}

((segid “PROT” and resid 15 and name HN))

((segid “PROT” and resid 14 and name HB2))

3.000
2.200
2.200 peak
4771
weight
0.10000E+01 volume
0.36582E+01 ppm1
7.997
ppm2
1.572

ASSI {4781}

((segid “PROT” and resid 15 and name HN))

((segid “PROT” and resid 14 and name HG))

3.300
2.700
2.200 peak
4781
weight
0.10000E+01 volume
0.20741E+01 ppm1
7.996
ppm2
1.467

ASSI {4791}

((segid “PROT” and resid 15 and name HN))

(segid “PROT” and resid 14 and name HD2%)

3.100
2.400
2.400 peak
4791
weight
0.10000E+01 volume
0.29619E+01 ppm1
7.992
ppm2
0.817

ASSI {4801}

((segid “PROT” and resid 15 and name HN))

((segid “PROT” and resid 12 and name HA))

3.000
2.200
2.200 peak
4801
weight
0.10000E+01 volume
0.37120E+01 ppm1
7.990
ppm2
4.731

ASSI {4821}

((segid “PROT” and resid 55 and name HN))

((segid “PROT” and resid 54 and name HA))

2.500
1.600
1.600 peak
4821
weight
0.10000E+01 volume
0.10125E+02 ppm1
7.380
ppm2
4.956

ASSI {4831}

((segid “PROT” and resid 55 and name HN))

((segid “PROT” and resid 55 and name HA))

2.600
1.700
1.700 peak
4831
weight
0.10000E+01 volume
0.84076E+01 ppm1
7.383
ppm2
4.742

ASSI {4841}

((segid “PROT” and resid 55 and name HN))

((segid “PROT” and resid 54 and name HG1))

3.100
2.400
2.400 peak
4841
weight
0.10000E+01 volume
0.27028E+01 ppm1
7.382
ppm2
2.706

ASSI {4851}

((segid “PROT” and resid 55 and name HN))

((segid “PROT” and resid 59 and name HG2))

3.600
3.200
1.900 peak
4851
weight
0.10000E+01 volume
0.12119E+01 ppm1
7.386
ppm2
2.546

ASSI {4861}

((segid “PROT” and resid 55 and name HN))

((segid “PROT” and resid 54 and name HB2))

3.500
3.100
2.000 peak
4861
weight
0.10000E+01 volume
0.14758E+01 ppm1
7.385
ppm2
1.352

ASSI {4871}

((segid “PROT” and resid 55 and name HN))

(segid “PROT” and resid 58 and name HG2%)

3.200
2.600
2.300 peak
4871
weight
0.10000E+01 volume
0.24734E+01 ppm1
7.381
ppm2
1.072

ASSI {4881}

((segid “PROT” and resid 55 and name HN))

(segid “PROT” and resid 81 and name HG1%)

3.100
2.400
2.400 peak
4881
weight
0.10000E+01 volume
0.28394E+01 ppm1
7.383
ppm2
0.476

ASSI {4891}

((segid “PROT” and resid 55 and name HN))

((segid “PROT” and resid 55 and name HB1))

3.200
2.600
2.300 peak
4891
weight
0.10000E+01 volume
0.22382E+01 ppm1
7.378
ppm2
2.376

ASSI {4901}

((segid “PROT” and resid 24 and name HN))

((segid “PROT” and resid 27 and name HN))

3.500
3.100
2.000 peak
4901
weight
0.10000E+01 volume
0.12574E+01 ppm1
8.045
ppm2
7.569

ASSI {4921}

((segid “PROT” and resid 74 and name HN))

(segid “PROT” and resid 18 and name HD2%)

3.500
3.100
2.000 peak
4921
weight
0.10000E+01 volume
0.12668E+01 ppm1
6.927
ppm2
−0.183

ASSI {4931}

((segid “PROT” and resid 74 and name HN))

(segid “PROT” and resid 73 and name HD2%)

3.500
3.100
2.000 peak
4931
weight
0.10000E+01 volume
0.14113E+01 ppm1
6.917
ppm2
0.943

ASSI {4941}

((segid “PROT” and resid 19 and name HN))

(segid “PROT” and resid 18 and name HD2%)

3.500
3.100
2.000 peak
4941
weight
0.10000E+01 volume
0.12909E+01 ppm1
8.569
ppm2
−0.181

ASSI {4951}

((segid “PROT” and resid 24 and name HN))

(segid “PROT” and resid 25 and name HG1%)

3.500
3.100
2.000 peak
4951
weight
0.10000E+01 volume
0.14575E+01 ppm1
8.048
ppm2
1.208

ASSI {4961}

((segid “PROT” and resid 24 and name HN))

((segid “PROT” and resid 25 and name HN))

2.300
1.300
1.300 peak
4961
weight
0.10000E+01 volume
0.15441E+02 ppm1
8.046
ppm2
8.568

ASSI {4971}

((segid “PROT” and resid 24 and name HN))

((segid “PROT” and resid 24 and name HE21))

3.600
3.200
1.900 peak
4971
weight
0.10000E+01 volume
0.12268E+01 ppm1
8.044
ppm2
7.031

ASSI {4981}

((segid “PROT” and resid 24 and name HN))

((segid “PROT” and resid 24 and name HA))

2.800
2.000
2.000 peak
4981
weight
0.10000E+01 volume
0.51016E+01 ppm1
8.045
ppm2
4.194

ASSI {5001}

((segid “PROT” and resid 24 and name HN))

((segid “PROT” and resid 21 and name HA))

3.200
2.600
2.300 peak
5001
weight
0.10000E+01 volume
0.23114E+01 ppm1
8.046
ppm2
3.782

ASSI {5011}

((segid “PROT” and resid 24 and name HN))

((segid “PROT” and resid 24 and name HG1))

2.600
1.700
1.700 peak
5011
weight
0.10000E+01 volume
0.77445E+01 ppm1
8.045
ppm2
2.866

ASSI {5021}

((segid “PROT” and resid 24 and name HN))

((segid “PROT” and resid 24 and name HB1))

2.400
1.400
1.400 peak
5021
weight
0.10000E+01 volume
0.13011E+02 ppm1
8.045
ppm2
2.480

ASSI {5031}

((segid “PROT” and resid 24 and name HN))

((segid “PROT” and resid 24 and name HB2))

2.600
1.700
1.700 peak
5031
weight
0.10000E+01 volume
0.77725E+01 ppm1
8.045
ppm2
2.386

ASSI {5041}

((segid “PROT” and resid 24 and name HN))

((segid “PROT” and resid 23 and name HB2))

2.900
2.100
2.100 peak
5041
weight
0.10000E+01 volume
0.45542E+01 ppm1
8.045
ppm2
2.241

ASSI {5051}

((segid “PROT” and resid 24 and name HN))

((segid “PROT” and resid 22 and name HB1))

3.500
3.100
2.000 peak
5051
weight
0.10000E+01 volume
0.12517E+01 ppm1
8.044
ppm2
2.103

ASSI {5061}

((segid “PROT” and resid 24 and name HN))

(segid “PROT” and resid 25 and name HG2%)

3.500
3.100
2.000 peak
5061
weight
0.10000E+01 volume
0.14572E+01 ppm1
8.043
ppm2
1.018

ASSI {5081}

((segid “PROT” and resid 73 and name HN))

((segid “PROT” and resid 75 and name HN))

3.500
3.100
2.000 peak
5081
weight
0.10000E+01 volume
0.12647E+01 ppm1
7.444
ppm2
8.505

ASSI {5101}

((segid “PROT” and resid 73 and name HN))

((segid “PROT” and resid 74 and name HN))

2.600
1.700
1.700 peak
5101
weight
0.10000E+01 volume
0.80031E+01 ppm1
7.442
ppm2
6.928

ASSI {5111}

((segid “PROT” and resid 73 and name HN))

((segid “PROT” and resid 70 and name HB1))

2.700
1.800
1.800 peak
5111
weight
0.10000E+01 volume
0.70510E+01 ppm1
7.440
ppm2
4.231

ASSI {5121}

((segid “PROT” and resid 73 and name HN))

(segid “PROT” and resid 73 and name HD2%)

3.000
2.200
2.200 peak
5121
weight
0.10000E+01 volume
0.34221E+01 ppm1
7.444
ppm2
0.928

ASSI {5131}

((segid “PROT” and resid 73 and name HN))

((segid “PROT” and resid 73 and name HG))

2.500
1.600
1.600 peak
5131
weight
0.10000E+01 volume
0.99511E+01 ppm1
7.434
ppm2
1.777

ASSI {5141}

((segid “PROT” and resid 80 and name HN))

((segid “PROT” and resid 80 and name HB2))

2.400
1.400
1.400 peak
5141
weight
0.10000E+01 volume
0.14158E+02 ppm1
7.422
ppm2
1.988

ASSI {5161}

((segid “PROT” and resid 80 and name HN))

(segid “PROT” and resid 76 and name HB%)

3.200
2.600
2.300 peak
5161
weight
0.10000E+01 volume
0.21895E+01 ppm1
7.427
ppm2
1.508

ASSI {5181}

((segid “PROT” and resid 80 and name HN))

((segid “PROT” and resid 81 and name HN))

2.600
1.700
1.700 peak
5181
weight
0.10000E+01 volume
0.75351E+01 ppm1
7.416
ppm2
7.031

ASSI {5191}

((segid “PROT” and resid 80 and name HN))

((segid “PROT” and resid 80 and name HA))

2.600
1.700
1.700 peak
5191
weight
0.10000E+01 volume
0.74789E+01 ppm1
7.417
ppm2
4.072

ASSI {5201}

((segid “PROT” and resid 80 and name HN))

((segid “PROT” and resid 79 and name HA))

3.200
2.600
2.300 peak
5201
weight
0.10000E+01 volume
0.22928E+01 ppm1
7.419
ppm2
3.815

ASSI {5211}

((segid “PROT” and resid 80 and name HN))

((segid “PROT” and resid 78 and name HA))

3.500
3.100
2.000 peak
5211
weight
0.10000E+01 volume
0.12621E+01 ppm1
7.416
ppm2
3.386

ASSI {5221}

((segid “PROT” and resid 80 and name HN))

((segid “PROT” and resid 79 and name HB1))

2.900
2.100
2.100 peak
5221
weight
0.10000E+01 volume
0.39082E+01 ppm1
7.416
ppm2
2.187

ASSI {5231}

((segid “PROT” and resid 80 and name HN))

((segid “PROT” and resid 79 and name HG1))

3.300
2.700
2.200 peak
5231
weight
0.10000E+01 volume
0.18927E+01 ppm1
7.413
ppm2
2.441

ASSI {5251}

((segid “PROT” and resid 74 and name HN))

((segid “PROT” and resid 70 and name HB1))

3.300
2.700
2.200 peak
5251
weight
0.10000E+01 volume
0.20701E+01 ppm1
6.926
ppm2
4.229

ASSI {5261}

((segid “PROT” and resid 74 and name HN))

((segid “PROT” and resid 75 and name HN))

2.700
1.800
1.800 peak
5261
weight
0.10000E+01 volume
0.70119E+01 ppm1
6.922
ppm2
8.499

ASSI {5281}

((segid “PROT” and resid 24 and name HE22))

((segid “PROT” and resid 109 and name HA))

3.100
2.400
2.400 peak
5281
weight
0.10000E+01 volume
0.27313E+01 ppm1
6.921
ppm2
4.037

ASSI {5291}

((segid “PROT” and resid 74 and name HN))

((segid “PROT” and resid 74 and name HA))

3.000
2.200
2.200 peak
5291
weight
0.10000E+01 volume
0.37588E+01 ppm1
6.920
ppm2
3.782

ASSI {5301}

((segid “PROT” and resid 74 and name HN))

((segid “PROT” and resid 74 and name HB1))

2.700
1.800
1.800 peak
5301
weight
0.10000E+01 volume
0.68724E+01 ppm1
6.922
ppm2
2.958

ASSI {5311}

((segid “PROT” and resid 74 and name HN))

((segid “PROT” and resid 74 and name HB2))

2.800
2.000
2.000 peak
5311
weight
0.10000E+01 volume
0.49112E+01 ppm1
6.923
ppm2
2.394

ASSI {5321}

((segid “PROT” and resid 74 and name HN))

((segid “PROT” and resid 73 and name HB1))

3.100
2.400
2.400 peak
5321
weight
0.10000E+01 volume
0.30104E+01 ppm1
6.924
ppm2
1.999

ASSI {5331}

((segid “PROT” and resid 74 and name HN))

((segid “PROT” and resid 73 and name HB2))

3.000
2.200
2.200 peak
5331
weight
0.10000E+01 volume
0.34844E+01 ppm1
6.921
ppm2
1.893

ASSI {5341}

((segid “PROT” and resid 74 and name HN))

((segid “PROT” and resid 73 and name HG))

3.400
2.900
2.100 peak
5341
weight
0.10000E+01 volume
0.17239E+01 ppm1
6.921
ppm2
1.778

ASSI {5351}

((segid “PROT” and resid 74 and name HN))

(segid “PROT” and resid 18 and name HD1%)

3.500
3.100
2.000 peak
5351
weight
0.10000E+01 volume
0.12974E+01 ppm1
6.921
ppm2
0.480

ASSI {5361}

((segid “PROT” and resid 24 and name HE22))

((segid “PROT” and resid 24 and name HN))

3.600
3.200
1.900 peak
5361
weight
0.10000E+01 volume
0.11576E+01 ppm1
6.910
ppm2
8.026

ASSI {5381}

((segid “PROT” and resid 19 and name HN))

(segid “PROT” and resid 17 and name HG2%)

3.400
2.900
2.100 peak
5381
weight
0.10000E+01 volume
0.15290E+01 ppm1
8.578
ppm2
1.151

ASSI {5391}

((segid “PROT” and resid 19 and name HN))

(segid “PROT” and resid 18 and name HD1%)

3.500
3.100
2.000 peak
5391
weight
0.10000E+01 volume
0.14602E+01 ppm1
8.576
ppm2
0.482

ASSI {5421}

((segid “PROT” and resid 19 and name HN))

((segid “PROT” and resid 15 and name HA))

3.200
2.600
2.300 peak
5421
weight
0.10000E+01 volume
0.24616E+01 ppm1
8.574
ppm2
4.029

ASSI {5431}

((segid “PROT” and resid 19 and name HN))

((segid “PROT” and resid 17 and name HA))

3.000
2.200
2.200 peak
5431
weight
0.10000E+01 volume
0.32388E+01 ppm1
8.573
ppm2
3.928

ASSI {5441}

((segid “PROT” and resid 19 and name HN))

((segid “PROT” and resid 19 and name HA))

2.800
2.000
2.000 peak
5441
weight
0.10000E+01 volume
0.54958E+01 ppm1
8.574
ppm2
3.693

ASSI {5451}

((segid “PROT” and resid 19 and name HN))

((segid “PROT” and resid 18 and name HA))

3.300
2.700
2.200 peak
5451
weight
0.10000E+01 volume
0.18487E+01 ppm1
8.571
ppm2
3.290

ASSI {5461}

((segid “PROT” and resid 19 and name HN))

((segid “PROT” and resid 19 and name HB1))

2.600
1.700
1.700 peak
5461
weight
0.10000E+01 volume
0.87577E+01 ppm1
8.574
ppm2
1.703

ASSI {5471}

((segid “PROT” and resid 19 and name HN))

((segid “PROT” and resid 18 and name HB1))

2.900
2.100
2.100 peak
5471
weight
0.10000E+01 volume
0.39883E+01 ppm1
8.575
ppm2
1.531

ASSI {5481}

((segid “PROT” and resid 19 and name HN))

((segid “PROT” and resid 19 and name HB2))

2.600
1.700
1.700 peak
5481
weight
0.10000E+01 volume
0.78056E+01 ppm1
8.574
ppm2
1.378

ASSI {5491}

((segid “PROT” and resid 19 and name HN))

((segid “PROT” and resid 19 and name HG1))

2.800
2.000
2.000 peak
5491
weight
0.10000E+01 volume
0.49710E+01 ppm1
8.575
ppm2
1.282

ASSI {5501}

((segid “PROT” and resid 19 and name HN))

(segid “PROT” and resid 63 and name HD2%)

3.100
2.400
2.400 peak
5501
weight
0.10000E+01 volume
0.27977E+01 ppm1
8.573
ppm2
1.044

ASSI {5511}

((segid “PROT” and resid 19 and name HN))

(segid “PROT” and resid 63 and name HD1%)

3.000
2.200
2.200 peak
5511
weight
0.10000E+01 volume
0.32125E+01 ppm1
8.573
ppm2
0.891

ASSI {5521}

((segid “PROT” and resid 19 and name HN))

((segid “PROT” and resid 18 and name HB2))

3.200
2.600
2.300 peak
5521
weight
0.10000E+01 volume
0.25168E+01 ppm1
8.574
ppm2
0.321

ASSI {5531}

((segid “PROT” and resid 19 and name HN))

((segid “PROT” and resid 17 and name HB))

3.400
2.900
2.100 peak
5531
weight
0.10000E+01 volume
0.15384E+01 ppm1
8.566
ppm2
4.264

ASSI {5541}

((segid “PROT” and resid 80 and name HN))

((segid “PROT” and resid 77 and name HA))

3.300
2.700
2.200 peak
5541
weight
0.10000E+01 volume
0.19122E+01 ppm1
7.416
ppm2
4.370

ASSI {5551}

((segid “PROT” and resid 42 and name HN))

((segid “PROT” and resid 39 and name HB2))

3.000
2.200
2.200 peak
5551
weight
0.10000E+01 volume
0.31705E+01 ppm1
7.210
ppm2
1.919

ASSI {5561}

((segid “PROT” and resid 42 and name HN))

((segid “PROT” and resid 42 and name HA))

2.800
2.000
2.000 peak
5561
weight
0.10000E+01 volume
0.47858E+01 ppm1
7.204
ppm2
4.477

ASSI {5571}

((segid “PROT” and resid 42 and name HN))

((segid “PROT” and resid 41 and name HB))

3.400
2.900
2.100 peak
5571
weight
0.10000E+01 volume
0.16358E+01 ppm1
7.202
ppm2
4.338

ASSI {5581}

((segid “PROT” and resid 42 and name HN))

((segid “PROT” and resid 41 and name HA))

3.100
2.400
2.400 peak
5581
weight
0.10000E+01 volume
0.25691E+01 ppm1
7.204
ppm2
4.074

ASSI {5591}

((segid “PROT” and resid 42 and name HN))

((segid “PROT” and resid 42 and name HG2))

3.000
2.200
2.200 peak
5591
weight
0.10000E+01 volume
0.35712E+01 ppm1
7.204
ppm2
2.268

ASSI {5601}

((segid “PROT” and resid 42 and name HN))

((segid “PROT” and resid 42 and name HB1))

2.900
2.100
2.100 peak
5601
weight
0.10000E+01 volume
0.42597E+01 ppm1
7.207
ppm2
2.194

ASSI {5611}

((segid “PROT” and resid 42 and name HN))

((segid “PROT” and resid 42 and name HB2))

2.800
2.000
2.000 peak
5611
weight
0.10000E+01 volume
0.53742E+01 ppm1
7.207
ppm2
2.046

ASSI {5621}

((segid “PROT” and resid 42 and name HN))

((segid “PROT” and resid 42 and name HG1))

3.200
2.600
2.300 peak
5621
weight
0.10000E+01 volume
0.24540E+01 ppm1
7.206
ppm2
2.334

ASSI {5631}

((segid “PROT” and resid 42 and name HN))

((segid “PROT” and resid 39 and name HD2))

3.100
2.400
2.400 peak
5631
weight
0.10000E+01 volume
0.30124E+01 ppm1
7.204
ppm2
1.650

ASSI {5641}

((segid “PROT” and resid 42 and name HN))

((segid “PROT” and resid 39 and name HG2))

3.500
3.100
2.000 peak
5641
weight
0.10000E+01 volume
0.12606E+01 ppm1
7.205
ppm2
1.455

ASSI {5651}

((segid “PROT” and resid 42 and name HN))

(segid “PROT” and resid 38 and name HG2%)

3.600
3.200
1.900 peak
5651
weight
0.10000E+01 volume
0.11209E+01 ppm1
7.202
ppm2
−0.032

ASSI {5661}

((segid “PROT” and resid 42 and name HN))

(segid “PROT” and resid 43 and name HB%)

3.500
3.100
2.000 peak
5661
weight
0.10000E+01 volume
0.14702E+01 ppm1
7.203
ppm2
0.963

ASSI {5671}

((segid “PROT” and resid 107 and name HN))

(segid “PROT” and resid 107 and name HD%)

3.400
2.900
2.100 peak
5671
weight
0.10000E+01 volume
0.17606E+01 ppm1
8.406
ppm2
7.197

ASSI {5691}

((segid “PROT” and resid 107 and name HN))

((segid “PROT” and resid 110 and name HN))

3.500
3.100
2.000 peak
5691
weight
0.10000E+01 volume
0.13382E+01 ppm1
8.401
ppm2
8.129

ASSI {5731}

((segid “PROT” and resid 107 and name HN))

(segid “PROT” and resid 106 and name HD%)

3.500
3.100
2.000 peak
5731
weight
0.10000E+01 volume
0.14164E+01 ppm1
8.405
ppm2
6.913

ASSI {5741}

((segid “PROT” and resid 107 and name HN))

((segid “PROT” and resid 106 and name HA))

3.000
2.200
2.200 peak
5741
weight
0.10000E+01 volume
0.33201E+01 ppm1
8.401
ppm2
3.973

ASSI {5751}

((segid “PROT” and resid 107 and name HN))

((segid “PROT” and resid 107 and name HA))

2.700
1.800
1.800 peak
5751
weight
0.10000E+01 volume
0.58816E+01 ppm1
8.402
ppm2
3.841

ASSI {5761}

((segid “PROT” and resid 107 and name HN))

((segid “PROT” and resid 106 and name HB1))

2.900
2.100
2.100 peak
5761
weight
0.10000E+01 volume
0.42118E+01 ppm1
8.403
ppm2
3.311

ASSI {5771}

((segid “PROT” and resid 107 and name HN))

((segid “PROT” and resid 107 and name HB1))

2.300
1.300
1.300 peak
5771
weight
0.10000E+01 volume
0.18413E+02 ppm1
8.402
ppm2
3.073

ASSI {5781}

((segid “PROT” and resid 87 and name HN))

(segid “PROT” and resid 50 and name HD1%)

3.400
2.900
2.100 peak
5781
weight
0.10000E+01 volume
0.15742E+01 ppm1
7.951
ppm2
0.557

ASSI {5791}

((segid “PROT” and resid 87 and name HN))

((segid “PROT” and resid 86 and name HG1))

3.300
2.700
2.200 peak
5791
weight
0.10000E+01 volume
0.18417E+01 ppm1
7.948
ppm2
1.313

ASSI {5801}

((segid “PROT” and resid 107 and name HN))

((segid “PROT” and resid 104 and name HA))

3.100
2.400
2.400 peak
5801
weight
0.10000E+01 volume
0.30498E+01 ppm1
8.404
ppm2
4.086

ASSI {5811}

((segid “PROT” and resid 107 and name HN))

((segid “PROT” and resid 104 and name HB1))

3.500
3.100
2.000 peak
5811
weight
0.10000E+01 volume
0.12855E+01 ppm1
8.404
ppm2
1.940

ASSI {5821}

((segid “PROT” and resid 107 and name HN))

((segid “PROT” and resid 110 and name HG11))

3.600
3.200
1.900 peak
5821
weight
0.10000E+01 volume
0.11312E+01 ppm1
8.402
ppm2
1.128

ASSI {5831}

((segid “PROT” and resid 87 and name HN))

((segid “PROT” and resid 89 and name HN))

3.300
2.700
2.200 peak
5831
weight
0.10000E+01 volume
0.20634E+01 ppm1
7.950
ppm2
8.119

ASSI {5841}

((segid “PROT” and resid 87 and name HN))

((segid “PROT” and resid 85 and name HN))

3.600
3.200
1.900 peak
5841
weight
0.10000E+01 volume
0.11971E+01 ppm1
7.950
ppm2
6.901

ASSI {5851}

((segid “PROT” and resid 87 and name HN))

((segid “PROT” and resid 84 and name HB1))

3.300
2.700
2.200 peak
5851
weight
0.10000E+01 volume
0.19660E+01 ppm1
7.955
ppm2
3.000

ASSI {5861}

((segid “PROT” and resid 87 and name HN))

((segid “PROT” and resid 87 and name HG1))

2.800
2.000
2.000 peak
5861
weight
0.10000E+01 volume
0.48232E+01 ppm1
7.950
ppm2
2.414

ASSI {5871}

((segid “PROT” and resid 87 and name HN))

((segid “PROT” and resid 87 and name HB1))

2.400
1.400
1.400 peak
5871
weight
0.10000E+01 volume
0.11647E+02 ppm1
7.951
ppm2
2.203

ASSI {5881}

((segid “PROT” and resid 87 and name HN))

((segid “PROT” and resid 86 and name HN))

2.500
1.600
1.600 peak
5881
weight
0.10000E+01 volume
0.98805E+01 ppm1
7.949
ppm2
7.840

ASSI {5891}

((segid “PROT” and resid 87 and name HN))

((segid “PROT” and resid 87 and name HA))

2.500
1.600
1.600 peak
5891
weight
0.10000E+01 volume
0.97274E+01 ppm1
7.949
ppm2
4.312

ASSI {5901}

((segid “PROT” and resid 87 and name HN))

((segid “PROT” and resid 88 and name HB2))

3.400
2.900
2.100 peak
5901
weight
0.10000E+01 volume
0.15195E+01 ppm1
7.948
ppm2
2.915

ASSI {5911}

((segid “PROT” and resid 115 and name HN))

((segid “PROT” and resid 114 and name HA1))

2.400
1.400
1.400 peak
5911
weight
0.10000E+01 volume
0.11986E+02 ppm1
7.733
ppm2
4.230

ASSI {5921}

((segid “PROT” and resid 48 and name HN))

((segid “PROT” and resid 48 and name HA))

2.700
1.800
1.800 peak
5921
weight
0.10000E+01 volume
0.62082E+01 ppm1
7.731
ppm2
4.097

ASSI {5931}

((segid “PROT” and resid 48 and name HN))

((segid “PROT” and resid 47 and name HN))

2.700
1.800
1.800 peak
5931
weight
0.10000E+01 volume
0.67305E+01 ppm1
7.724
ppm2
8.464

ASSI {5951}

((segid “PROT” and resid 48 and name HN))

((segid “PROT” and resid 50 and name HN))

2.800
2.000
2.000 peak
5951
weight
0.10000E+01 volume
0.54418E+01 ppm1
7.729
ppm2
7.953

ASSI {5961}

((segid “PROT” and resid 48 and name HN))

((segid “PROT” and resid 49 and name HN))

2.300
1.300
1.300 peak
5961
weight
0.10000E+01 volume
0.15564E+02 ppm1
7.724
ppm2
7.117

ASSI {5971}

((segid “PROT” and resid 48 and name HN))

((segid “PROT” and resid 47 and name HB2))

3.300
2.700
2.200 peak
5971
weight
0.10000E+01 volume
0.18444E+01 ppm1
7.723
ppm2
2.802

ASSI {5981}

((segid “PROT” and resid 48 and name HN))

((segid “PROT” and resid 48 and name HG1))

2.900
2.100
2.100 peak
5981
weight
0.10000E+01 volume
0.41807E+01 ppm1
7.725
ppm2
2.352

ASSI {5991}

((segid “PROT” and resid 48 and name HN))

((segid “PROT” and resid 48 and name HG2))

2.700
1.800
1.800 peak
5991
weight
0.10000E+01 volume
0.59443E+01 ppm1
7.724
ppm2
2.247

ASSI {6001}

((segid “PROT” and resid 48 and name HN))

((segid “PROT” and resid 48 and name HB2))

2.500
1.600
1.600 peak
6001
weight
0.10000E+01 volume
0.10445E+02 ppm1
7.726
ppm2
2.112

ASSI {6011}

((segid “PROT” and resid 48 and name HN))

((segid “PROT” and resid 49 and name HB))

3.300
2.700
2.200 peak
6011
weight
0.10000E+01 volume
0.19824E+01 ppm1
7.728
ppm2
1.928

ASSI {6021}

((segid “PROT” and resid 115 and name HN))

((segid “PROT” and resid 116 and name HG12))

3.100
2.400
2.400 peak
6021
weight
0.10000E+01 volume
0.27995E+01 ppm1
7.728
ppm2
0.938

ASSI {6031}

((segid “PROT” and resid 48 and name HN))

((segid “PROT” and resid 47 and name HB1))

3.600
3.200
1.900 peak
6031
weight
0.10000E+01 volume
0.11030E+01 ppm1
7.722
ppm2
3.212

ASSI {6041}

((segid “PROT” and resid 97 and name HN))

((segid “PROT” and resid 98 and name HN))

2.800
2.000
2.000 peak
6041
weight
0.10000E+01 volume
0.49406E+01 ppm1
7.962
ppm2
8.467

ASSI {6051}

((segid “PROT” and resid 97 and name HN))

((segid “PROT” and resid 96 and name HN))

2.800
2.000
2.000 peak
6051
weight
0.10000E+01 volume
0.50772E+01 ppm1
7.963
ppm2
7.365

ASSI {6061}

((segid “PROT” and resid 97 and name HN))

((segid “PROT” and resid 97 and name HA))

2.600
1.700
1.700 peak
6061
weight
0.10000E+01 volume
0.83858E+01 ppm1
7.961
ppm2
4.212

ASSI {6071}

((segid “PROT” and resid 97 and name HN))

((segid “PROT” and resid 96 and name HA))

3.400
2.900
2.100 peak
6071
weight
0.10000E+01 volume
0.16577E+01 ppm1
7.963
ppm2
3.810

ASSI {6081}

((segid “PROT” and resid 97 and name HN))

((segid “PROT” and resid 96 and name HB1))

3.000
2.200
2.200 peak
6081
weight
0.10000E+01 volume
0.33617E+01 ppm1
7.962
ppm2
3.393

ASSI {6091}

((segid “PROT” and resid 97 and name HN))

((segid “PROT” and resid 96 and name HB2))

3.100
2.400
2.400 peak
6091
weight
0.10000E+01 volume
0.27139E+01 ppm1
7.965
ppm2
2.563

ASSI {6101}

((segid “PROT” and resid 97 and name HN))

((segid “PROT” and resid 97 and name HB1))

2.400
1.400
1.400 peak
6101
weight
0.10000E+01 volume
0.11569E+02 ppm1
7.962
ppm2
2.090

ASSI {6111}

((segid “PROT” and resid 97 and name HN))

((segid “PROT” and resid 97 and name HG1))

2.600
1.700
1.700 peak
6111
weight
0.10000E+01 volume
0.78350E+01 ppm1
7.962
ppm2
1.819

ASSI {6121}

((segid “PROT” and resid 97 and name HN))

((segid “PROT” and resid 97 and name HG2))

3.000
2.200
2.200 peak
6121
weight
0.10000E+01 volume
0.33860E+01 ppm1
7.962
ppm2
1.602

ASSI {6151}

((segid “PROT” and resid 59 and name HN))

((segid “PROT” and resid 55 and name HN))

3.300
2.700
2.200 peak
6151
weight
0.10000E+01 volume
0.20861E+01 ppm1
7.884
ppm2
7.380

ASSI {6161}

((segid “PROT” and resid 59 and name HN))

((segid “PROT” and resid 55 and name HA))

2.800
2.000
2.000 peak
6161
weight
0.10000E+01 volume
0.54472E+01 ppm1
7.888
ppm2
4.740

ASSI {6171}

((segid “PROT” and resid 59 and name HN))

((segid “PROT” and resid 59 and name HA))

2.900
2.100
2.100 peak
6171
weight
0.10000E+01 volume
0.43029E+01 ppm1
7.888
ppm2
4.300

ASSI {6181}

((segid “PROT” and resid 59 and name HN))

((segid “PROT” and resid 58 and name HA))

3.300
2.700
2.200 peak
6181
weight
0.10000E+01 volume
0.20113E+01 ppm1
7.887
ppm2
3.855

ASSI {6191}

((segid “PROT” and resid 59 and name HN))

((segid “PROT” and resid 59 and name HG1))

3.000
2.200
2.200 peak
6191
weight
0.10000E+01 volume
0.31885E+01 ppm1
7.887
ppm2
2.640

ASSI {6201}

((segid “PROT” and resid 59 and name HN))

((segid “PROT” and resid 59 and name HG2))

2.900
2.100
2.100 peak
6201
weight
0.10000E+01 volume
0.41094E+01 ppm1
7.887
ppm2
2.523

ASSI {6211}

((segid “PROT” and resid 59 and name HN))

((segid “PROT” and resid 55 and name HB1))

3.300
2.700
2.200 peak
6211
weight
0.10000E+01 volume
0.21032E+01 ppm1
7.887
ppm2
2.409

ASSI {6221}

((segid “PROT” and resid 59 and name HN))

((segid “PROT” and resid 59 and name HB1))

2.800
2.000
2.000 peak
6221
weight
0.10000E+01 volume
0.46693E+01 ppm1
7.887
ppm2
2.117

ASSI {6231}

((segid “PROT” and resid 59 and name HN))

((segid “PROT” and resid 59 and name HB2))

2.900
2.100
2.100 peak
6231
weight
0.10000E+01 volume
0.43295E+01 ppm1
7.887
ppm2
1.894

ASSI {6241}

((segid “PROT” and resid 59 and name HN))

(segid “PROT” and resid 59 and name HE%)

3.200
2.600
2.300 peak
6241
weight
0.10000E+01 volume
0.21931E+01 ppm1
7.890
ppm2
1.281

ASSI {6251}

((segid “PROT” and resid 59 and name HN))

(segid “PROT” and resid 58 and name HG2%)

2.900
2.100
2.100 peak
6251
weight
0.10000E+01 volume
0.39266E+01 ppm1
7.886
ppm2
1.073

ASSI {6261}

((segid “PROT” and resid 59 and name HN))

(segid “PROT” and resid 56 and name HD2%)

3.500
3.100
2.000 peak
6261
weight
0.10000E+01 volume
0.13248E+01 ppm1
7.891
ppm2
0.647

ASSI {6281}

((segid “PROT” and resid 59 and name HN))

((segid “PROT” and resid 56 and name HA))

2.900
2.100
2.100 peak
6281
weight
0.10000E+01 volume
0.46129E+01 ppm1
7.887
ppm2
4.067

ASSI {6311}

((segid “PROT” and resid 115 and name HN))

((segid “PROT” and resid 110 and name HB))

3.100
2.400
2.400 peak
6311
weight
0.10000E+01 volume
0.26218E+01 ppm1
7.753
ppm2
1.767

ASSI {6321}

((segid “PROT” and resid 115 and name HN))

((segid “PROT” and resid 115 and name HG))

2.300
1.300
1.300 peak
6321
weight
0.10000E+01 volume
0.16690E+02 ppm1
7.747
ppm2
1.572

ASSI {6331}

((segid “PROT” and resid 115 and name HN))

(segid “PROT” and resid 113 and name HB%)

2.900
2.100
2.100 peak
6331
weight
0.10000E+01 volume
0.44807E+01 ppm1
7.747
ppm2
1.387

ASSI {6341}

((segid “PROT” and resid 115 and name HN))

((segid “PROT” and resid 116 and name HN))

2.400
1.400
1.400 peak
6341
weight
0.10000E+01 volume
0.12116E+02 ppm1
7.746
ppm2
7.473

ASSI {6351}

((segid “PROT” and resid 115 and name HN))

((segid “PROT” and resid 110 and name HA))

3.200
2.600
2.300 peak
6351
weight
0.10000E+01 volume
0.23760E+01 ppm1
7.744
ppm2
3.835

ASSI {6361}

((segid “PROT” and resid 115 and name HN))

(segid “PROT” and resid 110 and name HG2%)

2.800
2.000
2.000 peak
6361
weight
0.10000E+01 volume
0.49594E+01 ppm1
7.750
ppm2
0.733

ASSI {6371}

((segid “PROT” and resid 113 and name HN))

((segid “PROT” and resid 114 and name HN))

2.300
1.300
1.300 peak
6371
weight
0.10000E+01 volume
0.18295E+02 ppm1
7.628
ppm2
7.752

ASSI {6381}

((segid “PROT” and resid 113 and name HN))

((segid “PROT” and resid 114 and name HA1))

3.200
2.600
2.300 peak
6381
weight
0.10000E+01 volume
0.22373E+01 ppm1
7.626
ppm2
4.224

ASSI {6391}

((segid “PROT” and resid 113 and name HN))

((segid “PROT” and resid 110 and name HA))

3.000
2.200
2.200 peak
6391
weight
0.10000E+01 volume
0.31767E+01 ppm1
7.627
ppm2
3.841

ASSI {6401}

((segid “PROT” and resid 113 and name HN))

((segid “PROT” and resid 112 and name HG2))

3.300
2.700
2.200 peak
6401
weight
0.10000E+01 volume
0.19652E+01 ppm1
7.629
ppm2
2.228

ASSI {6411}

((segid “PROT” and resid 113 and name HN))

((segid “PROT” and resid 109 and name HB1))

3.400
2.900
2.100 peak
6411
weight
0.10000E+01 volume
0.16895E+01 ppm1
7.627
ppm2
1.755

ASSI {6421}

((segid “PROT” and resid 113 and name HN))

((segid “PROT” and resid 109 and name HB2))

3.100
2.400
2.400 peak
6421
weight
0.10000E+01 volume
0.29609E+01 ppm1
7.630
ppm2
1.554

ASSI {6441}

((segid “PROT” and resid 113 and name HN))

(segid “PROT” and resid 110 and name HG2%)

3.600
3.200
1.900 peak
6441
weight
0.10000E+01 volume
0.12178E+01 ppm1
7.626
ppm2
0.742

ASSI {6451}

((segid “PROT” and resid 113 and name HN))

(segid “PROT” and resid 21 and name HD1%)

3.400
2.900
2.100 peak
6451
weight
0.10000E+01 volume
0.16502E+01 ppm1
7.627
ppm2
0.640

ASSI {6471}

((segid “PROT” and resid 113 and name HN))

((segid “PROT” and resid 113 and name HA))

2.600
1.700
1.700 peak
6471
weight
0.10000E+01 volume
0.87618E+01 ppm1
7.624
ppm2
4.315

ASSI {6481}

((segid “PROT” and resid 113 and name HN))

((segid “PROT” and resid 112 and name HA))

2.800
2.000
2.000 peak
6481
weight
0.10000E+01 volume
0.55195E+01 ppm1
7.624
ppm2
3.999

ASSI {6491}

((segid “PROT” and resid 113 and name HN))

((segid “PROT” and resid 112 and name HG1))

3.400
2.900
2.100 peak
6491
weight
0.10000E+01 volume
0.16104E+01 ppm1
7.622
ppm2
2.363

ASSI {6501}

((segid “PROT” and resid 113 and name HN))

((segid “PROT” and resid 112 and name HB1))

2.500
1.600
1.600 peak
6501
weight
0.10000E+01 volume
0.92492E+01 ppm1
7.623
ppm2
2.082

ASSI {6511}

((segid “PROT” and resid 113 and name HN))

((segid “PROT” and resid 111 and name HB1))

3.500
3.100
2.000 peak
6511
weight
0.10000E+01 volume
0.13800E+01 ppm1
7.621
ppm2
1.871

ASSI {6521}

((segid “PROT” and resid 113 and name HN))

(segid “PROT” and resid 113 and name HB%)

2.200
1.200
1.200 peak
6521
weight
0.10000E+01 volume
0.21421E+02 ppm1
7.624
ppm2
1.386

ASSI {6541}

((segid “PROT” and resid 81 and name HN))

((segid “PROT” and resid 77 and name HA))

3.600
3.200
1.900 peak
6541
weight
0.10000E+01 volume
0.11964E+01 ppm1
7.019
ppm2
4.358

ASSI {6561}

((segid “PROT” and resid 104 and name HN))

((segid “PROT” and resid 103 and name HN))

2.700
1.800
1.800 peak
6561
weight
0.10000E+01 volume
0.71341E+01 ppm1
7.178
ppm2
8.061

ASSI {6581}

((segid “PROT” and resid 104 and name HN))

((segid “PROT” and resid 104 and name HA))

2.600
1.700
1.700 peak
6581
weight
0.10000E+01 volume
0.74430E+01 ppm1
7.180
ppm2
4.089

ASSI {6591}

((segid “PROT” and resid 104 and name HN))

((segid “PROT” and resid 101 and name HA))

3.200
2.600
2.300 peak
6591
weight
0.10000E+01 volume
0.22040E+01 ppm1
7.180
ppm2
3.679

ASSI {6601}

((segid “PROT” and resid 104 and name HN))

((segid “PROT” and resid 103 and name HA))

3.200
2.600
2.300 peak
6601
weight
0.10000E+01 volume
0.25243E+01 ppm1
7.178
ppm2
3.191

ASSI {6611}

((segid “PROT” and resid 104 and name HN))

((segid “PROT” and resid 105 and name HB2))

3.300
2.700
2.200 peak
6611
weight
0.10000E+01 volume
0.18405E+01 ppm1
7.178
ppm2
3.075

ASSI {6621}

((segid “PROT” and resid 104 and name HN))

((segid “PROT” and resid 104 and name HB1))

2.300
1.300
1.300 peak
6621
weight
0.10000E+01 volume
0.17956E+02 ppm1
7.180
ppm2
1.952

ASSI {6631}

((segid “PROT” and resid 104 and name HN))

((segid “PROT” and resid 104 and name HD1))

2.600
2.600
1.900 peak
6631
weight
0.10000E+01 volume
0.72669E+01 ppm1
7.181
ppm2
1.714

ASSI {6641}

((segid “PROT” and resid 104 and name HN))

((segid “PROT” and resid 103 and name HB2))

3.200
2.600
2.300 peak
6641
weight
0.10000E+01 volume
0.25289E+01 ppm1
7.178
ppm2
1.307

ASSI {6661}

((segid “PROT” and resid 104 and name HN))

((segid “PROT” and resid 104 and name HG1))

3.100
2.400
2.400 peak
6661
weight
0.10000E+01 volume
0.29965E+01 ppm1
7.176
ppm2
1.534

ASSI {6671}

((segid “PROT” and resid 35 and name HN))

((segid “PROT” and resid 34 and name HA))

3.300
2.700
2.200 peak
6671
weight
0.10000E+01 volume
0.19137E+01 ppm1
7.152
ppm2
4.989

ASSI {6681}

((segid “PROT” and resid 35 and name HN))

((segid “PROT” and resid 36 and name HN))

2.500
1.600
1.600 peak
6681
weight
0.10000E+01 volume
0.92061E+01 ppm1
7.150
ppm2
7.689

ASSI {6701}

((segid “PROT” and resid 35 and name HN))

((segid “PROT” and resid 35 and name HA))

2.800
2.000
2.000 peak
6701
weight
0.10000E+01 volume
0.55220E+01 ppm1
7.152
ppm2
4.315

ASSI {6711}

((segid “PROT” and resid 35 and name HN))

((segid “PROT” and resid 35 and name HG1))

2.500
1.600
1.600 peak
6711
weight
0.10000E+01 volume
0.10122E+02 ppm1
7.152
ppm2
2.867

ASSI {6721}

((segid “PROT” and resid 35 and name HN))

((segid “PROT” and resid 35 and name HB2))

2.500
1.600
1.600 peak
6721
weight
0.10000E+01 volume
0.10214E+02 ppm1
7.152
ppm2
2.210

ASSI {6741}

((segid “PROT” and resid 81 and name HN))

((segid “PROT” and resid 83 and name HN))

3.600
3.200
1.900 peak
6741
weight
0.10000E+01 volume
0.11953E+01 ppm1
7.033
ppm2
9.095

ASSI {6751}

((segid “PROT” and resid 81 and name HN))

((segid “PROT” and resid 82 and name HN))

2.700
1.800
1.800 peak
6751
weight
0.10000E+01 volume
0.62507E+01 ppm1
7.031
ppm2
6.404

ASSI {6761}

((segid “PROT” and resid 81 and name HN))

((segid “PROT” and resid 81 and name HA))

2.900
2.100
2.100 peak
6761
weight
0.10000E+01 volume
0.43231E+01 ppm1
7.032
ppm2
3.104

ASSI {6771}

((segid “PROT” and resid 81 and name HN))

((segid “PROT” and resid 82 and name HB2))

3.500
3.100
2.000 peak
6771
weight
0.10000E+01 volume
0.12809E+01 ppm1
7.033
ppm2
3.003

ASSI {6791}

((segid “PROT” and resid 81 and name HN))

((segid “PROT” and resid 79 and name HB1))

3.300
2.700
2.200 peak
6791
weight
0.10000E+01 volume
0.18620E+01 ppm1
7.035
ppm2
2.189

ASSI {6801}

((segid “PROT” and resid 81 and name HN))

((segid “PROT” and resid 80 and name HB2))

2.900
2.100
2.100 peak
6801
weight
0.10000E+01 volume
0.45127E+01 ppm1
7.035
ppm2
1.944

ASSI {6811}

((segid “PROT” and resid 81 and name HN))

((segid “PROT” and resid 80 and name HG1))

3.200
2.600
2.300 peak
6811
weight
0.10000E+01 volume
0.22692E+01 ppm1
7.034
ppm2
1.764

ASSI {6831}

((segid “PROT” and resid 81 and name HN))

(segid “PROT” and resid 81 and name HG2%)

3.000
2.200
2.200 peak
6831
weight
0.10000E+01 volume
0.37030E+01 ppm1
7.031
ppm2
0.139

ASSI {6851}

((segid “PROT” and resid 81 and name HN))

((segid “PROT” and resid 80 and name HA))

3.200
2.600
2.300 peak
6851
weight
0.10000E+01 volume
0.23560E+01 ppm1
7.029
ppm2
4.088

ASSI {6861}

((segid “PROT” and resid 81 and name HN))

((segid “PROT” and resid 78 and name HA))

3.200
2.600
2.300 peak
6861
weight
0.10000E+01 volume
0.23796E+01 ppm1
7.029
ppm2
3.387

ASSI {6871}

((segid “PROT” and resid 81 and name HN))

((segid “PROT” and resid 81 and name HB))

2.600
1.700
1.700 peak
6871
weight
0.10000E+01 volume
0.77216E+01 ppm1
7.029
ppm2
1.435

ASSI {6881}

((segid “PROT” and resid 81 and name HN))

(segid “PROT” and resid 81 and name HG1%)

2.500
1.600
1.600 peak
6881
weight
0.10000E+01 volume
0.10928E+02 ppm1
7.029
ppm2
0.480

ASSI {6891}

((segid “PROT” and resid 85 and name HN))

((segid “PROT” and resid 82 and name HN))

3.600
3.200
1.900 peak
6891
weight
0.10000E+01 volume
0.12246E+01 ppm1
6.918
ppm2
6.392

ASSI {6911}

((segid “PROT” and resid 85 and name HN))

(segid “PROT” and resid 81 and name HG1%)

3.300
2.700
2.200 peak
6911
weight
0.10000E+01 volume
0.20441E+01 ppm1
6.915
ppm2
0.485

ASSI {6931}

((segid “PROT” and resid 31 and name HN))

((segid “PROT” and resid 102 and name HG))

3.100
2.400
2.400 peak
6931
weight
0.10000E+01 volume
0.26707E+01 ppm1
7.914
ppm2
1.638

ASSI {6941}

((segid “PROT” and resid 31 and name HN))

((segid “PROT” and resid 28 and name HN))

3.400
2.900
2.100 peak
6941
weight
0.10000E+01 volume
0.17063E+01 ppm1
7.913
ppm2
7.563

ASSI {6951}

((segid “PROT” and resid 31 and name HN))

((segid “PROT” and resid 32 and name HN))

2.500
1.600
1.600 peak
6951
weight
0.10000E+01 volume
0.96419E+01 ppm1
7.913
ppm2
7.103

ASSI {6961}

((segid “PROT” and resid 31 and name HN))

((segid “PROT” and resid 30 and name HA))

3.100
2.400
2.400 peak
6961
weight
0.10000E+01 volume
0.29200E+01 ppm1
7.913
ppm2
4.830

ASSI {6981}

((segid “PROT” and resid 31 and name HN))

((segid “PROT” and resid 28 and name HB1))

3.200
2.600
2.300 peak
6981
weight
0.10000E+01 volume
0.25210E+01 ppm1
7.913
ppm2
2.999

ASSI {6991}

((segid “PROT” and resid 31 and name HN))

((segid “PROT” and resid 28 and name HB2))

3.500
3.100
2.000 peak
6991
weight
0.10000E+01 volume
0.12877E+01 ppm1
7.913
ppm2
2.801

ASSI {7001}

((segid “PROT” and resid 31 and name HN))

(segid “PROT” and resid 31 and name HB%)

2.200
1.200
1.200 peak
7001
weight
0.10000E+01 volume
0.19840E+02 ppm1
7.913
ppm2
1.734

ASSI {7011}

((segid “PROT” and resid 31 and name HN))

(segid “PROT” and resid 102 and name HD1%)

2.900
2.100
2.100 peak
7011
weight
0.10000E+01 volume
0.43175E+01 ppm1
7.912
ppm2
0.733

ASSI {7041}

((segid “PROT” and resid 85 and name HN))

((segid “PROT” and resid 88 and name HN))

3.600
3.200
1.900 peak
7041
weight
0.10000E+01 volume
0.11543E+01 ppm1
6.911
ppm2
7.948

ASSI {7051}

((segid “PROT” and resid 85 and name HN))

((segid “PROT” and resid 85 and name HA))

3.100
2.400
2.400 peak
7051
weight
0.10000E+01 volume
0.29023E+01 ppm1
6.912
ppm2
4.476

ASSI {7061}

((segid “PROT” and resid 85 and name HN))

((segid “PROT” and resid 82 and name HA))

3.200
2.600
2.300 peak
7061
weight
0.10000E+01 volume
0.23120E+01 ppm1
6.909
ppm2
4.198

ASSI {7071}

((segid “PROT” and resid 85 and name HN))

((segid “PROT” and resid 85 and name HB1))

2.900
2.100
2.100 peak
7071
weight
0.10000E+01 volume
0.44281E+01 ppm1
6.909
ppm2
3.391

ASSI {7081}

((segid “PROT” and resid 85 and name HN))

((segid “PROT” and resid 85 and name HB2))

2.700
1.800
1.800 peak
7081
weight
0.10000E+01 volume
0.60371E+01 ppm1
6.909
ppm2
3.075

ASSI {7101}

((segid “PROT” and resid 85 and name HN))

((segid “PROT” and resid 86 and name HN))

2.800
2.000
2.000 peak
7101
weight
0.10000E+01 volume
0.52021E+01 ppm1
6.907
ppm2
7.827

ASSI {7111}

((segid “PROT” and resid 85 and name HN))

((segid “PROT” and resid 84 and name HA))

3.300
2.700
2.200 peak
7111
weight
0.10000E+01 volume
0.20680E+01 ppm1
6.905
ppm2
4.314

ASSI {7121}

((segid “PROT” and resid 85 and name HN))

((segid “PROT” and resid 84 and name HB2))

3.400
2.900
2.100 peak
7121
weight
0.10000E+01 volume
0.15050E+01 ppm1
6.907
ppm2
2.701

ASSI {7141}

((segid “PROT” and resid 23 and name HN))

((segid “PROT” and resid 22 and name HN))

2.600
1.700
1.700 peak
7141
weight
0.10000E+01 volume
0.76228E+01 ppm1
8.580
ppm2
8.853

ASSI {7151}

((segid “PROT” and resid 23 and name HN))

((segid “PROT” and resid 24 and name HN))

2.600
1.700
1.700 peak
7151
weight
0.10000E+01 volume
0.82564E+01 ppm1
8.582
ppm2
8.045

ASSI {7161}

((segid “PROT” and resid 23 and name HN))

((segid “PROT” and resid 20 and name HN))

3.500
3.100
2.000 peak
7161
weight
0.10000E+01 volume
0.13939E+1 ppm1
8.582
ppm2
7.547

ASSI {7171}

((segid “PROT” and resid 23 and name HN))

((segid “PROT” and resid 20 and name HA))

3.100
2.400
2.400 peak
7171
weight
0.10000E+01 volume
0.28370E+01 ppm1
8.582
ppm2
4.304

ASSI {7181}

((segid “PROT” and resid 23 and name HN))

((segid “PROT” and resid 23 and name HA))

2.600
1.700
1.700 peak
7181
weight
0.10000E+01 volume
0.82765E+01 ppm1
8.580
ppm2
4.040

ASSI {7201}

((segid “PROT” and resid 23 and name HN))

((segid “PROT” and resid 19 and name HA))

3.400
2.900
2.100 peak
7201
weight
0.10000E+01 volume
0.15541E+01 ppm1
8.583
ppm2
3.698

ASSI {7211}

((segid “PROT” and resid 23 and name HN))

((segid “PROT” and resid 24 and name HG1))

3.500
3.100
2.000 peak
7211
weight
0.10000E+01 volume
0.13521E+01 ppm1
8.578
ppm2
2.858

ASSI {7221}

((segid “PROT” and resid 23 and name HN))

((segid “PROT” and resid 23 and name HG1))

2.800
2.000
2.000 peak
7221
weight
0.10000E+01 volume
0.52073E+01 ppm1
8.578
ppm2
2.576

ASSI {7231}

((segid “PROT” and resid 23 and name HN))

((segid “PROT” and resid 23 and name HG2))

2.700
1.800
1.800 peak
7231
weight
0.10000E+01 volume
0.61263E+01 ppm1
8.580
ppm2
2.460

ASSI {7241}

((segid “PROT” and resid 23 and name HN))

((segid “PROT” and resid 23 and name HB1))

2.400
1.400
1.400 peak
7241
weight
0.10000E+01 volume
0.12017E+02 ppm1
8.581
ppm2
2.344

ASSI {7251}

((segid “PROT” and resid 23 and name HN))

((segid “PROT” and resid 23 and name HB2))

2.500
1.600
1.600 peak
7251
weight
0.10000E+01 volume
0.97676E+01 ppm1
8.580
ppm2
2.235

ASSI {7261}

((segid “PROT” and resid 23 and name HN))

((segid “PROT” and resid 22 and name HB1))

2.800
2.000
2.000 peak
7261
weight
0.10000E+01 volume
0.52458E+01 ppm1
8.580
ppm2
2.102

ASSI {7271}

((segid “PROT” and resid 23 and name HN))

((segid “PROT” and resid 22 and name HB2))

3.000
2.200
2.200 peak
7271
weight
0.10000E+01 volume
0.34592E+01 ppm1
8.579
ppm2
1.709

ASSI {7281}

((segid “PROT” and resid 23 and name HN))

(segid “PROT” and resid 25 and name HG2%)

3.300
2.700
2.200 peak
7281
weight
0.10000E+01 volume
0.20526E+01 ppm1
8.581
ppm2
1.028

ASSI {7291}

((segid “PROT” and resid 23 and name HN))

((segid “PROT” and resid 21 and name HN))

3.400
2.900
2.100 peak
7291
weight
0.10000E+01 volume
0.17095E+01 ppm1
8.575
ppm2
7.927

ASSI {7301}

((segid “PROT” and resid 23 and name HN))

((segid “PROT” and resid 21 and name HB))

3.300
2.700
2.200 peak
7301
weight
0.10000E+01 volume
0.18595E+01 ppm1
8.576
ppm2
1.934

ASSI {7311}

((segid “PROT” and resid 110 and name HN))

((segid “PROT” and resid 109 and name HN))

2.600
1.700
1.700 peak
7311
weight
0.10000E+01 volume
0.81388E+01 ppm1
8.123
ppm2
7.965

ASSI {7321}

((segid “PROT” and resid 110 and name HN))

((segid “PROT” and resid 111 and name HN))

2.600
1.700
1.700 peak
7321
weight
0.10000E+01 volume
0.90365E+01 ppm1
8.124
ppm2
7.568

ASSI {7331}

((segid “PROT” and resid 110 and name HN))

((segid “PROT” and resid 109 and name HA))

3.100
2.400
2.400 peak
7331
weight
0.10000E+01 volume
0.27003E+01 ppm1
8.123
ppm2
4.051

ASSI (7341)

((segid “PROT” and resid 110 and name HN))

((segid “PROT” and resid 107 and name HA))

2.600
1.700
1.700 peak
7341
weight
0.10000E+01 volume
0.82467E+01 ppm1
8.123
ppm2
3.835

ASSI {7351}

((segid “PROT” and resid 110 and name HN))

((segid “PROT” and resid 109 and name HB1))

2.600
1.700
1.700 peak
7351
weight
0.10000E+01 volume
0.83498E+01 ppm1
8.124
ppm2
1.760

ASSI {7361}

((segid “PROT” and resid 110 and name HN))

((segid “PROT” and resid 109 and name HB2))

3.100
2.400
2.400 peak
7361
weight
0.10000E+01 volume
0.30691E+01 ppm1
8.123
ppm2
1.556

ASSI {7371}

((segid “PROT” and resid 110 and name HN))

((segid “PROT” and resid 110 and name HG12))

2.600
1.700
1.700 peak
7371
weight
0.10000E+01 volume
0.78805E+01 ppm1
8.124
ppm2
1.117

ASSI {7381}

((segid “PROT” and resid 110 and name HN))

(segid “PROT” and resid 115 and name HD2%)

3.200
2.600
2.300 peak
7381
weight
0.10000E+01 volume
0.22974E+01 ppm1
8.124
ppm2
0.800

ASSI {7391}

((segid “PROT” and resid 110 and name HN))

(segid “PROT” and resid 110 and name HG2%)

2.600
1.700
1.700 peak
7391
weight
0.10000E+01 volume
0.85494E+01 ppm1
8.123
ppm2
0.665

ASSI {7401}

((segid “PROT” and resid 110 and name HN))

(segid “PROT” and resid 110 and name HD1%)

3.000
2.200
2.200 peak
7401
weight
0.10000E+01 volume
0.37184E+01 ppm1
8.124
ppm2
0.546

ASSI {7411}

((segid “PROT” and resid 110 and name HN))

((segid “PROT” and resid 106 and name HA))

3.200
2.600
2.300 peak
7411
weight
0.10000E+01 volume
0.24296E+01 ppm1
8.123
ppm2
3.977

ASSI {7421}

((segid “PROT” and resid 110 and name HN))

((segid “PROT” and resid 109 and name HD1))

3.200
2.600
2.300 peak
7421
weight
0.10000E+01 volume
0.21558E+01 ppm1
8.119
ppm2
1.390

ASSI {7461}

((segid “PROT” and resid 86 and name HN))

((segid “PROT” and resid 86 and name HA))

2.900
2.100
2.100 peak
7461
weight
0.10000E+01 volume
0.39371E+01 ppm1
7.829
ppm2
4.228

ASSI {7471}

((segid “PROT” and resid 86 and name HN))

((segid “PROT” and resid 83 and name HA))

3.100
2.400
2.400 peak
7471
weight
0.10000E+01 volume
0.26907E+01 ppm1
7.830
ppm2
3.863

ASSI {7481}

((segid “PROT” and resid 86 and name HN))

((segid “PROT” and resid 85 and name HB2))

3.100
2.400
2.400 peak
7481
weight
0.10000E+01 volume
0.28548E+01 ppm1
7.831
ppm2
3.076

ASSI {7491}

((segid “PROT” and resid 86 and name HN))

((segid “PROT” and resid 86 and name HG1))

2.700
1.800
1.800 peak
7491
weight
0.10000E+01 volume
0.63400E+01 ppm1
7.828
ppm2
1.315

ASSI {7501}

((segid “PROT” and resid 86 and name HN))

((segid “PROT” and resid 86 and name HG2))

3.100
2.400
2.400 peak
7501
weight
0.10000E+01 volume
0.29455E+01 ppm1
7.832
ppm2
0.144

ASSI {7511}

((segid “PROT” and resid 86 and name HN))

((segid “PROT” and resid 85 and name HB1))

3.400
2.900
2.100 peak
7511
weight
0.10000E+01 volume
0.16551E+01 ppm1
7.827
ppm2
3.392

ASSI {7521}

((segid “PROT” and resid 86 and name HN))

((segid “PROT” and resid 86 and name HB1))

2.800
2.000
2.000 peak
7521
weight
0.10000E+01 volume
0.57275E+01 ppm1
7.827
ppm2
1.752

ASSI {7531}

((segid “PROT” and resid 86 and name HN))

(segid “PROT” and resid 99 and name HB%)

3.100
2.400
2.400 peak
7531
weight
0.10000E+01 volume
0.29669E+01 ppm1
7.826
ppm2
1.647

ASSI {7541}

((segid “PROT” and resid 82 and name HN))

((segid “PROT” and resid 80 and name HN))

3.400
2.900
2.100 peak
7541
weight
0.10000E+01 volume
0.15786E+01 ppm1
6.404
ppm2
7.412

ASSI {7551}

((segid “PROT” and resid 82 and name HN))

((segid “PROT” and resid 82 and name HB2))

2.900
2.100
2.100 peak
7551
weight
0.10000E+01 volume
0.41049E+01 ppm1
6.399
ppm2
2.982

ASSI {7571}

((segid “PROT” and resid 82 and name HN))

(segid “PROT” and resid 99 and name HB%)

3.600
3.200
1.900 peak
7571
weight
0.10000E+01 volume
0.11485E+01 ppm1
6.394
ppm2
1.629

ASSI {7581}

((segid “PROT” and resid 82 and name HN))

((segid “PROT” and resid 79 and name HA))

3.100
2.400
2.400 peak
7581
weight
0.10000E+01 volume
0.26091E+01 ppm1
6.405
ppm2
3.834

ASSI {7591}

((segid “PROT” and resid 82 and name HN))

((segid “PROT” and resid 83 and name HN))

2.700
1.800
1.800 peak
7591
weight
0.10000E+01 volume
0.67167E+01 ppm1
6.398
ppm2
9.087

ASSI {7611}

((segid “PROT” and resid 82 and name HN))

((segid “PROT” and resid 82 and name HA))

3.000
2.200
2.200 peak
7611
weight
0.10000E+01 volume
0.35557E+01 ppm1
6.402
ppm2
4.182

ASSI {7621}

((segid “PROT” and resid 82 and name HN))

((segid “PROT” and resid 81 and name HA))

2.900
2.100
2.100 peak
7621
weight
0.10000E+01 volume
0.42652E+01 ppm1
6.401
ppm2
3.098

ASSI {7661}

((segid “PROT” and resid 82 and name HN))

((segid “PROT” and resid 81 and name HB))

2.700
1.800
1.800 peak
7661
weight
0.10000E+01 volume
0.65677E+01 ppm1
6.398
ppm2
1.437

ASSI {7681}

((segid “PROT” and resid 82 and name HN))

(segid “PROT” and resid 81 and name HG1%)

3.100
2.400
2.400 peak
7681
weight
0.10000E+01 volume
0.28381E+01 ppm1
6.396
ppm2
0.485

ASSI {7691}

((segid “PROT” and resid 82 and name HN))

(segid “PROT” and resid 81 and name HG2%)

3.000
2.200
2.200 peak
7691
weight
0.10000E+01 volume
0.35300E+01 ppm1
6.401
ppm2
0.132

ASSI {7701}

((segid “PROT” and resid 67 and name HN))

((segid “PROT” and resid 62 and name HA))

3.600
3.200
1.900 peak
7701
weight
0.10000E+01 volume
0.10882E+01 ppm1
8.249
ppm2
3.932

ASSI {7711}

((segid “PROT” and resid 67 and name HN))

((segid “PROT” and resid 68 and name HN))

2.600
1.700
1.700 peak
7711
weight
0.10000E+01 volume
0.79629E+01 ppm1
8.244
ppm2
8.011

ASSI {7721}

((segid “PROT” and resid 67 and name HN))

((segid “PROT” and resid 63 and name HA))

3.100
2.400
2.400 peak
7721
weight
0.10000E+01 volume
0.28926E+01 ppm1
8.243
ppm2
4.736

ASSI {7731}

((segid “PROT” and resid 67 and name HN))

((segid “PROT” and resid 66 and name HA))

2.900
2.100
2.100 peak
7731
weight
0.10000E+01 volume
0.40872E+01 ppm1
8.243
ppm2
4.413

ASSI {7741}

((segid “PROT” and resid 67 and name HN))

((segid “PROT” and resid 67 and name HA))

2.800
2.000
2.000 peak
7741
weight
0.10000E+01 volume
0.48819E+01 ppm1
8.243
ppm2
4.080

ASSI {7751}

((segid “PROT” and resid 67 and name HN))

((segid “PROT” and resid 67 and name HB1))

2.600
1.700
1.700 peak
7751
weight
0.10000E+01 volume
0.73162E+01 ppm1
8.244
ppm2
2.976

ASSI {7761}

((segid “PROT” and resid 67 and name HN))

((segid “PROT” and resid 65 and name HB2))

3.300
2.700
2.200 peak
7761
weight
0.10000E+01 volume
0.19397E+01 ppm1
8.244
ppm2
2.777

ASSI {7771}

((segid “PROT” and resid 67 and name HN))

((segid “PROT” and resid 67 and name HB2))

2.600
1.700
1.700 peak
7771
weight
0.10000E+01 volume
0.79008E+01 ppm1
8.244
ppm2
2.065

ASSI {7781}

((segid “PROT” and resid 67 and name HN))

((segid “PROT” and resid 62 and name HB2))

3.400
2.900
2.100 peak
7781
weight
0.10000E+01 volume
0.17159E+01 ppm1
8.245
ppm2
1.104

ASSI {7791}

((segid “PROT” and resid 67 and name HN))

(segid “PROT” and resid 69 and name HG1%)

3.600
3.200
1.900 peak
7791
weight
0.10000E+01 volume
0.11159E+01 ppm1
8.245
ppm2
0.985

ASSI {7831}

((segid “PROT” and resid 98 and name HN))

((segid “PROT” and resid 99 and name HN))

2.700
1.800
1.800 peak
7831
weight
0.10000E+01 volume
0.67297E+01 ppm1
8.468
ppm2
8.193

ASSI {7861}

((segid “PROT” and resid 98 and name HN))

((segid “PROT” and resid 98 and name HA))

2.700
1.800
1.800 peak
7861
weight
0.10000E+01 volume
0.70923E+01 ppm1
8.469
ppm2
4.203

ASSI {7871}

((segid “PROT” and resid 98 and name HN))

((segid “PROT” and resid 98 and name HB1))

2.900
2.100
2.100 peak
7871
weight
0.10000E+01 volume
0.40399E+01 ppm1
8.463
ppm2
3.387

ASSI {7881}

((segid “PROT” and resid 98 and name HN))

((segid “PROT” and resid 98 and name HB2))

2.700
1.800
1.800 peak
7881
weight
0.10000E+01 volume
0.60660E+01 ppm1
8.465
ppm2
3.031

ASSI {7891}

((segid “PROT” and resid 98 and name HN))

((segid “PROT” and resid 97 and name HG2))

3.200
2.600
2.300 peak
7891
weight
0.10000E+01 volume
0.22366E+01 ppm1
8.469
ppm2
1.629

ASSI {7911}

((segid “PROT” and resid 98 and name HN))

((segid “PROT” and resid 96 and name HN))

3.200
2.600
2.300 peak
7911
weight
0.10000E+01 volume
0.25397E+01 ppm1
8.436
ppm2
7.377

ASSI {7921}

((segid “PROT” and resid 52 and name HN))

((segid “PROT” and resid 50 and name HA))

3.000
2.200
2.200 peak
7921
weight
0.10000E+01 volume
0.36881E+01 ppm1
8.430
ppm2
3.923

ASSI {7931}

((segid “PROT” and resid 52 and name HN))

((segid “PROT” and resid 53 and name HD1))

3.200
2.600
2.300 peak
7931
weight
0.10000E+01 volume
0.21891E+01 ppm1
8.437
ppm2
3.634

ASSI {7941}

((segid “PROT” and resid 52 and name HN))

((segid “PROT” and resid 52 and name HB2))

2.700
1.800
1.800 peak
7941
weight
0.10000E+01 volume
0.71866E+01 ppm1
8.431
ppm2
2.936

ASSI {7961}

((segid “PROT” and resid 52 and name HN))

(segid “PROT” and resid 52 and name HD%)

3.300
2.700
2.200 peak
7961
weight
0.10000E+01 volume
0.20400E+01 ppm1
8.426
ppm2
7.245

ASSI {7971}

((segid “PROT” and resid 52 and name HN))

((segid “PROT” and resid 52 and name HA))

2.800
2.000
2.000 peak
7971
weight
0.10000E+01 volume
0.47172E+01 ppm1
8.427
ppm2
5.013

ASSI {7981}

((segid “PROT” and resid 52 and name HN))

((segid “PROT” and resid 51 and name HA))

2.900
2.100
2.100 peak
7981
weight
0.10000E+01 volume
0.44512E+01 ppm1
8.430
ppm2
3.854

ASSI {7991}

((segid “PROT” and resid 52 and name HN))

((segid “PROT” and resid 51 and name HG1))

2.900
2.100
2.100 peak
7991
weight
0.10000E+01 volume
0.40272E+01 ppm1
8.428
ppm2
1.365

ASSI {8001}

((segid “PROT” and resid 52 and name HN))

((segid “PROT” and resid 51 and name HG2))

2.800
2.000
2.000 peak
8001
weight
0.10000E+01 volume
0.48060E+01 ppm1
8.429
ppm2
1.183

ASSI {8011}

((segid “PROT” and resid 52 and name HN))

(segid “PROT” and resid 50 and name HG2%)

2.700
1.800
1.800 peak
8011
weight
0.10000E+01 volume
0.57798E+01 ppm1
8.430
ppm2
0.391

ASSI {8031}

((segid “PROT” and resid 32 and name HN))

((segid “PROT” and resid 29 and name HA))

3.500
3.100
2.000 peak
8031
weight
0.10000E+01 volume
0.14468E+01 ppm1
7.101
ppm2
4.239

ASSI {8041}

((segid “PROT” and resid 32 and name HN))

(segid “PROT” and resid 102 and name HD1%)

3.500
3.100
2.000 peak
8041
weight
0.10000E+01 volume
0.14091E+01 ppm1
7.098
ppm2
0.734

ASSI {8051}

((segid “PROT” and resid 75 and name HN))

(segid “PROT” and resid 74 and name HD%)

3.400
2.900
2.100 peak
8051
weight
0.10000E+01 volume
0.15423E+01 ppm1
8.509
ppm2
6.405

ASSI {8061}

((segid “PROT” and resid 75 and name HN))

((segid “PROT” and resid 72 and name HA))

3.000
2.200
2.200 peak
8061
weight
0.10000E+01 volume
0.36517E+01 ppm1
8.502
ppm2
4.063

ASSI {8071}

((segid “PROT” and resid 75 and name HN))

((segid “PROT” and resid 74 and name HA))

3.200
2.600
2.300 peak
8071
weight
0.10000E+01 volume
0.23481E+01 ppm1
8.494
ppm2
3.791

ASSI {8081}

((segid “PROT” and resid 75 and name HN))

((segid “PROT” and resid 73 and name HB2))

3.400
2.900
2.100 peak
8081
weight
0.10000E+01 volume
0.16840E+01 ppm1
8.486
ppm2
1.891

ASSI {8091}

((segid “PROT” and resid 98 and name HN))

((segid “PROT” and resid 97 and name HB1))

2.600
1.700
1.700 peak
8091
weight
0.10000E+01 volume
0.73028E+01 ppm1
8.473
ppm2
2.090

ASSI {8101}

((segid “PROT” and resid 98 and name HN))

((segid “PROT” and resid 97 and name HG1))

3.200
2.600
2.300 peak
8101
weight
0.10000E+01 volume
0.22962E+01 ppm1
8.471
ppm2
1.827

ASSI {8111}

((segid “PROT” and resid 95 and name HN))

((segid “PROT” and resid 96 and name HN))

3.600
3.200
1.900 peak
8111
weight
0.10000E+01 volume
0.11106E+01 ppm1
7.966
ppm2
7.391

ASSI {8121}

((segid “PROT” and resid 60 and name HN))

((segid “PROT” and resid 60 and name HA))

2.700
1.800
1.800 peak
8121
weight
0.10000E+01 volume
0.60698E+01 ppm1
7.963
ppm2
4.414

ASSI {8131}

((segid “PROT” and resid 95 and name HN))

((segid “PROT” and resid 94 and name HA))

2.600
1.700
1.700 peak
8131
weight
0.10000E+01 volume
0.76180E+01 ppm1
7.963
ppm2
4.222

ASSI {8141}

((segid “PROT” and resid 60 and name HN))

((segid “PROT” and resid 61 and name HG1))

3.200
2.600
2.300 peak
8141
weight
0.10000E+01 volume
0.23031E+01 ppm1
7.959
ppm2
2.382

ASSI {8151}

((segid “PROT” and resid 65 and name HN))

((segid “PROT” and resid 63 and name HB2))

3.000
2.200
2.200 peak
8151
weight
0.10000E+01 volume
0.34813E+01 ppm1
7.961
ppm2
1.915

ASSI {8161}

((segid “PROT” and resid 65 and name HN))

((segid “PROT” and resid 62 and name HB2))

2.900
2.100
2.100 peak
8161
weight
0.10000E+01 volume
0.42507E+01 ppm1
7.963
ppm2
1.076

ASSI {8171}

((segid “PROT” and resid 65 and name HN))

((segid “PROT” and resid 62 and name HG2))

3.600
3.200
1.900 peak
8171
weight
0.10000E+01 volume
0.11342E+01 ppm1
7.965
ppm2
0.891

ASSI {8191}

((segid “PROT” and resid 88 and name HN))

((segid “PROT” and resid 88 and name HA))

2.600
1.700
1.700 peak
8191
weight
0.10000E+01 volume
0.74064E+01 ppm1
7.940
ppm2
4.309

ASSI {8201}

((segid “PROT” and resid 88 and name HN))

((segid “PROT” and resid 88 and name HB1))

2.800
2.000
2.000 peak
8201
weight
0.10000E+01 volume
0.50457E+01 ppm1
7.943
ppm2
2.936

ASSI {8211}

((segid “PROT” and resid 88 and name HN))

((segid “PROT” and resid 87 and name HB1))

2.900
2.100
2.100 peak
8211
weight
0.10000E+01 volume
0.46367E+01 ppm1
7.948
ppm2
2.198

ASSI {8221}

((segid “PROT” and resid 88 and name HN))

(segid “PROT” and resid 50 and name HD1%)

3.200
2.600
2.300 peak
8221
weight
0.10000E+01 volume
0.21507E+01 ppm1
7.940
ppm2
0.559

ASSI {8241}

((segid “PROT” and resid 32 and name HN))

((segid “PROT” and resid 32 and name HE1))

3.400
2.900
2.100 peak
8241
weight
0.10000E+01 volume
0.15718E+01 ppm1
7.101
ppm2
10.403

ASSI {8271}

((segid “PROT” and resid 32 and name HN))

((segid “PROT” and resid 30 and name HA))

3.500
3.100
2.000 peak
8271
weight
0.10000E+01 volume
0.12594E+01 ppm1
7.102
ppm2
4.829

ASSI {8281}

((segid “PROT” and resid 32 and name HN))

((segid “PROT” and resid 32 and name HA))

2.700
1.800
1.800 peak
8281
weight
0.10000E+01 volume
0.68837E+01 ppm1
7.101
ppm2
4.399

ASSI {8291}

((segid “PROT” and resid 32 and name HN))

((segid “PROT” and resid 32 and name HB1))

2.900
2.100
2.100 peak
8291
weight
0.10000E+01 volume
0.43852E+01 ppm1
7.100
ppm2
3.614

ASSI {8301}

((segid “PROT” and resid 32 and name HN))

((segid “PROT” and resid 32 and name HB2))

2.700
1.800
1.800 peak
8301
weight
0.10000E+01 volume
0.59584E+01 ppm1
7.099
ppm2
3.384

ASSI {8311}

((segid “PROT” and resid 32 and name HN))

((segid “PROT” and resid 35 and name HB2))

3.300
2.700
2.200 peak
8311
weight
0.10000E+01 volume
0.21134E+01 ppm1
7.100
ppm2
2.216

ASSI {8321}

((segid “PROT” and resid 32 and name HN))

(segid “PROT” and resid 31 and name HB%)

2.800
2.000
2.000 peak
8321
weight
0.10000E+01 volume
0.49211E+01 ppm1
7.100
ppm2
1.734

ASSI {8331}

((segid “PROT” and resid 32 and name HN))

((segid “PROT” and resid 33 and name HD2))

3.000
2.200
2.200 peak
8331
weight
0.10000E+01 volume
0.36037E+01 ppm1
7.101
ppm2
1.553

ASSI {8341}

((segid “PROT” and resid 32 and name HN))

((segid “PROT” and resid 34 and name HN))

3.500
3.100
2.000 peak
8341
weight
0.10000E+01 volume
0.13342E+01 ppm1
7.093
ppm2
7.630

ASSI {8351}

((segid “PROT” and resid 56 and name HN))

((segid “PROT” and resid 56 and name HB2))

3.200
2.600
2.300 peak
8351
weight
0.10000E+01 volume
0.22617E+01 ppm1
9.137
ppm2
1.417

ASSI {8361}

((segid “PROT” and resid 56 and name HN))

(segid “PROT” and resid 56 and name HD1%)

3.200
2.600
2.300 peak
8361
weight
0.10000E+01 volume
0.21571E+01 ppm1
9.136
ppm2
0.952

ASSI {8371}

((segid “PROT” and resid 75 and name HN))

((segid “PROT” and resid 76 and name HN))

2.600
1.700
1.700 peak
8371
weight
0.10000E+01 volume
0.76502E+01 ppm1
8.504
ppm2
8.021

ASSI {8421}

((segid “PROT” and resid 75 and name HN))

((segid “PROT” and resid 75 and name HB1))

2.600
1.700
1.700 peak
8421
weight
0.10000E+01 volume
0.88439E+01 ppm1
8.504
ppm2
2.947

ASSI {8431}

((segid “PROT” and resid 75 and name HN))

((segid “PROT” and resid 75 and name HB2))

2.900
2.100
2.100 peak
8431
weight
0.10000E+01 volume
0.41666E+01 ppm1
8.504
ppm2
2.619

ASSI {8441}

((segid “PROT” and resid 75 and name HN))

((segid “PROT” and resid 75 and name HG1))

2.800
2.000
2.000 peak
8441
weight
0.10000E+01 volume
0.47167E+01 ppm1
8.506
ppm2
2.322

ASSI {8451}

((segid “PROT” and resid 75 and name HN))

((segid “PROT” and resid 75 and name HG2))

2.700
1.800
1.800 peak
8451
weight
0.10000E+01 volume
0.59655E+01 ppm1
8.507
ppm2
2.221

ASSI {8471}

((segid “PROT” and resid 60 and name HN))

((segid “PROT” and resid 63 and name HN))

3.300
2.700
2.200 peak
8471
weight
0.10000E+01 volume
0.18372E+01 ppm1
7.966
ppm2
8.884

ASSI {8481}

((segid “PROT” and resid 65 and name HN))

((segid “PROT” and resid 62 and name HN))

3.600
3.200
1.900 peak
8481
weight
0.10000E+01 volume
0.12461E+01 ppm1
7.958
ppm2
8.376

ASSI {8491}

((segid “PROT” and resid 60 and name HN))

((segid “PROT” and resid 61 and name HN))

2.300
1.300
1.300 peak
8491
weight
0.10000E+01 volume
0.16597E+02 ppm1
7.963
ppm2
8.166

ASSI {8501}

((segid “PROT” and resid 65 and name HN))

((segid “PROT” and resid 65 and name HD21))

3.100
2.400
2.400 peak
8501
weight
0.10000E+01 volume
0.29272E+01 ppm1
7.960
ppm2
7.603

ASSI {8511}

((segid “PROT” and resid 65 and name HN))

((segid “PROT” and resid 65 and name HD22))

3.300
2.700
2.200 peak
8511
weight
0.10000E+01 volume
0.20934E+01 ppm1
7.960
ppm2
6.977

ASSI {8521}

((segid “PROT” and resid 65 and name HN))

((segid “PROT” and resid 65 and name HA))

2.700
1.800
1.800 peak
8521
weight
0.10000E+01 volume
0.69853E+01 ppm1
7.962
ppm2
4.805

ASSI {8531}

((segid “PROT” and resid 95 and name HN))

((segid “PROT” and resid 93 and name HA))

3.400
2.900
2.100 peak
8531
weight
0.10000E+01 volume
0.17105E+01 ppm1
7.962
ppm2
4.527

ASSI {8541}

((segid “PROT” and resid 60 and name HN))

((segid “PROT” and resid 60 and name HB2))

2.700
1.800
1.800 peak
8541
weight
0.10000E+01 volume
0.68005E+01 ppm1
7.963
ppm2
4.059

ASSI {8551}

((segid “PROT” and resid 65 and name HN))

((segid “PROT” and resid 62 and name HA))

3.100
2.400
2.400 peak
8551
weight
0.10000E+01 volume
0.28044E+01 ppm1
7.963
ppm2
3.886

ASSI {8571}

((segid “PROT” and resid 65 and name HN))

((segid “PROT” and resid 65 and name HB2))

2.500
1.600
1.600 peak
8571
weight
0.10000E+01 volume
0.98965E+01 ppm1
7.961
ppm2
2.786

ASSI {8581}

((segid “PROT” and resid 65 and name HN))

((segid “PROT” and resid 64 and name HB1))

2.500
1.600
1.600 peak
8581
weight
0.10000E+01 volume
0.10932E+02 ppm1
7.960
ppm2
2.061

ASSI {8611}

((segid “PROT” and resid 65 and name HN))

((segid “PROT” and resid 65 and name HB1))

2.600
1.700
1.700 peak
8611
weight
0.10000E+01 volume
0.86756E+01 ppm1
7.958
ppm2
3.027

ASSI {8621}

((segid “PROT” and resid 56 and name HN))

((segid “PROT” and resid 34 and name HB1))

3.500
3.100
2.000 peak
8621
weight
0.10000E+01 volume
0.13755E+01 ppm1
9.138
ppm2
3.495

ASSI {8631}

((segid “PROT” and resid 56 and name HN))

((segid “PROT” and resid 56 and name HB1))

3.100
2.400
2.400 peak
8631
weight
0.10000E+01 volume
0.27193E+01 ppm1
9.139
ppm2
2.074

ASSI {8651}

((segid “PROT” and resid 56 and name HN))

((segid “PROT” and resid 55 and name HA))

2.800
2.000
2.000 peak
8651
weight
0.10000E+01 volume
0.49101E+01 ppm1
9.133
ppm2
4.746

ASSI {8661}

((segid “PROT” and resid 56 and name HN))

((segid “PROT” and resid 35 and name HA))

3.500
3.100
2.000 peak
8661
weight
0.10000E+01 volume
0.12922E+01 ppm1
9.134
ppm2
4.311

ASSI {8671}

((segid “PROT” and resid 56 and name HN))

((segid “PROT” and resid 56 and name HA))

3.300
2.700
2.200 peak
8671
weight
0.10000E+01 volume
0.20678E+01 ppm1
9.134
ppm2
4.038

ASSI {8681}

((segid “PROT” and resid 56 and name HN))

((segid “PROT” and resid 55 and name HB1))

2.800
2.000
2.000 peak
8681
weight
0.10000E+01 volume
0.49656E+01 ppm1
9.136
ppm2
2.380

ASSI {8691}

((segid “PROT” and resid 56 and name HN))

((segid “PROT” and resid 56 and name HG))

2.800
2.000
2.000 peak
8691
weight
0.10000E+01 volume
0.48001E+01 ppm1
9.133
ppm2
1.733

ASSI {8711}

((segid “PROT” and resid 56 and name HN))

(segid “PROT” and resid 56 and name HD2%)

3.100
2.400
2.400 peak
8711
weight
0.10000E+01 volume
0.28913E+01 ppm1
9.137
ppm2
0.647

ASSI {8721}

((segid “PROT” and resid 56 and name HN))

(segid “PROT” and resid 81 and name HG1%)

3.600
3.200
1.900 peak
8721
weight
0.10000E+01 volume
0.11502E+01 ppm1
9.131
ppm2
0.486

ASSI {8751}

((segid “PROT” and resid 69 and name HN))

((segid “PROT” and resid 68 and name HA))

2.600
1.700
1.700 peak
8751
weight
0.10000E+01 volume
0.87535E+01 ppm1
7.703
ppm2
4.550

ASSI {8761}

((segid “PROT” and resid 69 and name HN))

((segid “PROT” and resid 69 and name HA))

2.800
2.000
2.000 peak
8761
weight
0.10000E+01 volume
0.55954E+01 ppm1
7.703
ppm2
4.099

ASSI {8771}

((segid “PROT” and resid 69 and name HN))

((segid “PROT” and resid 69 and name HB))

3.100
2.400
2.400 peak
8771
weight
0.10000E+01 volume
0.25963E+01 ppm1
7.705
ppm2
2.334

ASSI {8781}

((segid “PROT” and resid 69 and name HN))

(segid “PROT” and resid 69 and name HG1%)

2.300
1.300
1.300 peak
8781
weight
0.10000E+01 volume
0.15076E+02 ppm1
7.703
ppm2
0.960

ASSI {8791}

((segid “PROT” and resid 69 and name HN))

(segid “PROT” and resid 69 and name HG2%)

2.400
1.400
1.400 peak
8791
weight
0.10000E+01 volume
0.14135E+02 ppm1
7.703
ppm2
0.840

ASSI {8801}

((segid “PROT” and resid 69 and name HN))

((segid “PROT” and resid 68 and name HB2))

3.500
3.100
2.000 peak
8801
weight
0.10000E+01 volume
0.13700E+01 ppm1
7.697
ppm2
2.922

ASSI {8811}

((segid “PROT” and resid 93 and name HN))

((segid “PROT” and resid 90 and name HD1))

3.400
2.900
2.100 peak
8811
weight
0.10000E+01 volume
0.14810E+01 ppm1
8.123
ppm2
4.101

ASSI {8821}

((segid “PROT” and resid 93 and name HN))

((segid “PROT” and resid 92 and name HG2))

3.100
2.400
2.400 peak
8821
weight
0.10000E+01 volume
0.27236E+01 ppm1
8.117
ppm2
2.231

ASSI {8831}

((segid “PROT” and resid 93 and name HN))

((segid “PROT” and resid 94 and name HN))

2.600
1.700
1.700 peak
8831
weight
0.10000E+01 volume
0.72426E+01 ppm1
8.122
ppm2
8.399

ASSI {8841}

((segid “PROT” and resid 93 and name HN))

((segid “PROT” and resid 90 and name HA))

3.400
2.900
2.100 peak
8841
weight
0.10000E+01 volume
0.15414E+01 ppm1
8.126
ppm2
4.634

ASSI {8851}

((segid “PROT” and resid 93 and name HN))

((segid “PROT” and resid 93 and name HA))

2.800
2.000
2.000 peak
8851
weight
0.10000E+01 volume
0.47169E+01 ppm1
8.123
ppm2
4.498

ASSI {8861}

((segid “PROT” and resid 93 and name HN))

((segid “PROT” and resid 96 and name HA))

3.600
3.200
1.900 peak
8861
weight
0.10000E+01 volume
0.12225E+01 ppm1
8.131
ppm2
3.813

ASSI {8871}

((segid “PROT” and resid 93 and name HN))

((segid “PROT” and resid 96 and name HB1))

3.200
2.600
2.300 peak
8871
weight
0.10000E+01 volume
0.22127E+01 ppm1
8.121
ppm2
3.389

ASSI {8881}

((segid “PROT” and resid 93 and name HN))

((segid “PROT” and resid 96 and name HB2))

3.200
2.600
2.300 peak
8881
weight
0.10000E+01 volume
0.22961E+01 ppm1
8.122
ppm2
2.561

ASSI {8891}

((segid “PROT” and resid 93 and name HN))

((segid “PROT” and resid 96 and name HN))

3.500
3.100
2.000 peak
8891
weight
0.10000E+01 volume
0.13954E+01 ppm1
8.120
ppm2
7.358

ASSI {8901}

((segid “PROT” and resid 93 and name HN))

((segid “PROT” and resid 92 and name HA))

2.700
1.800
1.800 peak
8901
weight
0.10000E+01 volume
0.59769E+01 ppm1
8.118
ppm2
4.240

ASSI {8911}

((segid “PROT” and resid 93 and name HN))

((segid “PROT” and resid 92 and name HB1))

2.900
2.100
2.100 peak
8911
weight
0.10000E+01 volume
0.38660E+01 ppm1
8.118
ppm2
2.079

ASSI {8921}

((segid “PROT” and resid 100 and name HN))

((segid “PROT” and resid 98 and name HN))

3.400
2.900
2.100 peak
8921
weight
0.10000E+01 volume
0.15387E+01 ppm1
8.078
ppm2
8.500

ASSI {8941}

((segid “PROT” and resid 100 and name HN))

((segid “PROT” and resid 97 and name HA))

2.800
2.000
2.000 peak
8941
weight
0.10000E+01 volume
0.50553E+01 ppm1
8.076
ppm2
4.216

ASSI {8951}

((segid “PROT” and resid 100 and name HN))

((segid “PROT” and resid 99 and name HA))

3.200
2.600
2.300 peak
8951
weight
0.10000E+01 volume
0.21329E+01 ppm1
8.075
ppm2
3.886

ASSI {8961}

((segid “PROT” and resid 100 and name HN))

((segid “PROT” and resid 96 and name HA))

3.500
3.100
2.000 peak
8961
weight
0.10000E+01 volume
0.13805E+01 ppm1
8.072
ppm2
3.815

ASSI {8971}

((segid “PROT” and resid 100 and name HN))

((segid “PROT” and resid 100 and name HB2))

2.500
1.600
1.600 peak
8971
weight
0.10000E+01 volume
0.11200E+02 ppm1
8.073
ppm2
2.819

ASSI {8981}

((segid “PROT” and resid 100 and name HN))

((segid “PROT” and resid 101 and name HB))

3.400
2.900
2.100 peak
8981
weight
0.10000E+01 volume
0.16226E+01 ppm1
8.072
ppm2
1.924

ASSI {8991}

((segid “PROT” and resid 100 and name HN))

((segid “PROT” and resid 103 and name HB1))

3.400
2.900
2.100 peak
8991
weight
0.10000E+01 volume
0.16128E+01 ppm1
8.074
ppm2
1.798

ASSI {9001}

((segid “PROT” and resid 100 and name HN))

((segid “PROT” and resid 100 and name HA))

2.600
1.700
1.700 peak
9001
weight
0.10000E+01 volume
0.77227E+01 ppm1
8.070
ppm2
4.336

ASSI {9011}

((segid “PROT” and resid 100 and name HN))

((segid “PROT” and resid 100 and name HB1))

2.600
1.700
1.700 peak
9011
weight
0.10000E+01 volume
0.85998E+01 ppm1
8.070
ppm2
2.902

ASSI {9021}

((segid “PROT” and resid 100 and name HN))

(segid “PROT” and resid 99 and name HB%)

2.600
1.700
1.700 peak
9021
weight
0.10000E+01 volume
0.72646E+01 ppm1
8.070
ppm2
1.633

ASSI {9031}

((segid “PROT” and resid 83 and name HN))

((segid “PROT” and resid 81 and name HA))

3.100
2.400
2.400 peak
9031
weight
0.10000E+01 volume
0.27010E+01 ppm1
9.097
ppm2
3.099

ASSI {9051}

((segid “PROT” and resid 83 and name HN))

((segid “PROT” and resid 79 and name HE21))

3.500
3.100
2.000 peak
9051
weight
0.10000E+01 volume
0.12887E+01 ppm1
9.097
ppm2
7.316

ASSI {9081}

((segid “PROT” and resid 83 and name HN))

((segid “PROT” and resid 83 and name HB))

2.800
2.000
2.000 peak
9081
weight
0.10000E+01 volume
0.50910E+01 ppm1
9.095
ppm2
4.211

ASSI {9091}

((segid “PROT” and resid 83 and name HN))

((segid “PROT” and resid 80 and name HA))

3.000
2.200
2.200 peak
9091
weight
0.10000E+01 volume
0.37309E+01 ppm1
9.094
ppm2
4.081

ASSI {9101}

((segid “PROT” and resid 83 and name HN))

((segid “PROT” and resid 83 and name HA))

2.800
2.000
2.000 peak
9101
weight
0.10000E+01 volume
0.47850E+01 ppm1
9.095
ppm2
3.886

ASSI {9111}

((segid “PROT” and resid 83 and name HN))

((segid “PROT” and resid 82 and name HB2))

3.000
2.200
2.200 peak
9111
weight
0.10000E+01 volume
0.35514E+01 ppm1
9.096
ppm2
2.980

ASSI {9121}

((segid “PROT” and resid 83 and name HN))

(segid “PROT” and resid 83 and name HG2%)

2.600
1.700
1.700 peak
9121
weight
0.10000E+01 volume
0.77238E+01 ppm1
9.096
ppm2
1.319

ASSI {9171}

((segid “PROT” and resid 116 and name HN))

((segid “PROT” and resid 115 and name HA))

2.500
1.600
1.600 peak
9171
weight
0.10000E+01 volume
0.10961E+02 ppm1
7.472
ppm2
4.243

ASSI {9181}

((segid “PROT” and resid 116 and name HN))

((segid “PROT” and resid 111 and name HA))

2.900
2.100
2.100 peak
9181
weight
0.10000E+01 volume
0.41946E+01 ppm1
7.472
ppm2
4.067

ASSI {9191}

((segid “PROT” and resid 116 and name HN))

((segid “PROT” and resid 116 and name HB))

2.600
1.700
1.700 peak
9191
weight
0.10000E+01 volume
0.82844E+01 ppm1
7.473
ppm2
1.827

ASSI {9201}

((segid “PROT” and resid 116 and name HN))

((segid “PROT” and resid 115 and name HG))

2.800
2.000
2.000 peak
9201
weight
0.10000E+01 volume
0.52666E+01 ppm1
7.472
ppm2
1.582

ASSI {9211}

((segid “PROT” and resid 116 and name HN))

((segid “PROT” and resid 116 and name HG11))

2.800
2.000
2.000 peak
9211
weight
0.10000E+01 volume
0.51800E+01 ppm1
7.472
ppm2
1.326

ASSI {9221}

((segid “PROT” and resid 116 and name HN))

((segid “PROT” and resid 116 and name HG12))

2.700
1.800
1.800 peak
9221
weight
0.10000E+01 volume
0.61501E+01 ppm1
7.472
ppm2
0.937

ASSI {9231}

((segid “PROT” and resid 116 and name HN))

(segid “PROT” and resid 116 and name HD1%)

2.800
2.000
2.000 peak
9231
weight
0.10000E+01 volume
0.56999E+01 ppm1
7.472
ppm2
0.822

ASSI {9241}

((segid “PROT” and resid 116 and name HN))

(segid “PROT” and resid 110 and name HG2%)

3.400
2.900
2.100 peak
9241
weight
0.10000E+01 volume
0.16152E+01 ppm1
7.474
ppm2
0.683

ASSI {9261}

((segid “PROT” and resid 89 and name HN))

((segid “PROT” and resid 89 and name HD21))

3.000
2.200
2.200 peak
9261
weight
0.10000E+01 volume
0.33062E+01 ppm1
8.116
ppm2
8.355

ASSI {9271}

((segid “PROT” and resid 89 and name HN))

((segid “PROT” and resid 88 and name HN))

2.600
1.700
1.700 peak
9271
weight
0.10000E+01 volume
0.81545E+01 ppm1
8.115
ppm2
7.938

ASSI {9281}

((segid “PROT” and resid 89 and name HN))

((segid “PROT” and resid 86 and name HN))

3.100
2.400
2.400 peak
9281
weight
0.10000E+01 volume
0.30920E+01 ppm1
8.119
ppm2
7.822

ASSI {9291}

((segid “PROT” and resid 89 and name HN))

((segid “PROT” and resid 86 and name HA))

3.400
2.900
2.100 peak
9291
weight
0.10000E+01 volume
0.15463E+01 ppm1
8.113
ppm2
4.229

ASSI {9301}

((segid “PROT” and resid 89 and name HN))

((segid “PROT” and resid 89 and name HB1))

2.900
2.100
2.100 peak
9301
weight
0.10000E+01 volume
0.37959E+01 ppm1
8.117
ppm2
3.068

ASSI {9311}

((segid “PROT” and resid 89 and name HN))

((segid “PROT” and resid 89 and name HA))

3.100
2.400
2.400 peak
9311
weight
0.10000E+01 volume
0.27926E+01 ppm1
8.111
ppm2
5.063

ASSI {9321}

((segid “PROT” and resid 89 and name HN))

((segid “PROT” and resid 87 and name HA))

3.300
2.700
2.200 peak
9321
weight
0.10000E+01 volume
0.20761E+01 ppm1
8.111
ppm2
4.307

ASSI {9331}

((segid “PROT” and resid 89 and name HN))

((segid “PROT” and resid 89 and name HB2))

2.800
2.000
2.000 peak
9331
weight
0.10000E+01 volume
0.50152E+01 ppm1
8.112
ppm2
2.891

ASSI {9341}

((segid “PROT” and resid 108 and name HN))

((segid “PROT” and resid 110 and name HN))

2.900
2.100
2.100 peak
9341
weight
0.10000E+01 volume
0.40916E+01 ppm1
7.945
ppm2
8.119

ASSI {9351}

((segid “PROT” and resid 108 and name HN))

((segid “PROT” and resid 107 and name HN))

2.500
1.600
1.600 peak
9351
weight
0.10000E+01 volume
0.95030E+01 ppm1
7.934
ppm2
8.399

ASSI {9361}

((segid “PROT” and resid 108 and name HN))

((segid “PROT” and resid 105 and name HA))

3.100
2.400
2.400 peak
9361
weight
0.10000E+01 volume
0.29117E+01 ppm1
7.935
ppm2
4.336

ASSI {9371}

((segid “PROT” and resid 108 and name HN))

((segid “PROT” and resid 104 and name HA))

2.900
2.100
2.100 peak
9371
weight
0.10000E+01 volume
0.44614E+01 ppm1
7.935
ppm2
4.086

ASSI {9381}

((segid “PROT” and resid 108 and name HN))

((segid “PROT” and resid 107 and name HB1))

2.600
1.700
1.700 peak
9381
weight
0.10000E+01 volume
0.86992E+01 ppm1
7.934
ppm2
3.071

ASSI {9391}

((segid “PROT” and resid 108 and name HN))

((segid “PROT” and resid 108 and name HA))

2.700
1.800
1.800 peak
9391
weight
0.10000E+01 volume
0.69670E+01 ppm1
7.933
ppm2
4.207

ASSI {9401}

((segid “PROT” and resid 108 and name HN))

((segid “PROT” and resid 108 and name HB1))

2.300
1.300
1.300 peak
9401
weight
0.10000E+01 volume
0.15144E+02 ppm1
7.933
ppm2
3.994

ASSI {9411}

((segid “PROT” and resid 108 and name HN))

((segid “PROT” and resid 107 and name HA))

3.000
2.200
2.200 peak
9411
weight
0.10000E+01 volume
0.36835E+01 ppm1
7.931
ppm2
3.856

ASSI {9431}

((segid “PROT” and resid 108 and name HN))

((segid “PROT” and resid 109 and name HG1))

3.500
3.100
2.000 peak
9431
weight
0.10000E+01 volume
0.14551E+01 ppm1
7.928
ppm2
0.819

ASSI {9441}

((segid “PROT” and resid 49 and name HN))

((segid “PROT” and resid 50 and name HB))

3.500
3.100
2.000 peak
9441
weight
0.10000E+01 volume
0.14054E+01 ppm1
7.116
ppm2
1.212

ASSI {9471}

((segid “PROT” and resid 49 and name HN))

((segid “PROT” and resid 48 and name HA))

2.800
2.000
2.000 peak
9471
weight
0.10000E+01 volume
0.50132E+01 ppm1
7.114
ppm2
4.092

ASSI {9481}

((segid “PROT” and resid 49 and name HN))

((segid “PROT” and resid 48 and name HB2))

3.000
2.200
2.200 peak
9481
weight
0.10000E+01 volume
0.32610E+01 ppm1
7.114
ppm2
2.104

ASSI {9491}

((segid “PROT” and resid 49 and name HN))

((segid “PROT” and resid 49 and name HB))

2.900
2.100
2.100 peak
9491
weight
0.10000E+01 volume
0.39099E+01 ppm1
7.113
ppm2
1.909

ASSI {9501}

((segid “PROT” and resid 49 and name HN))

(segid “PROT” and resid 49 and name HG1%)

2.600
1.700
1.700 peak
9501
weight
0.10000E+01 volume
0.78825E+01 ppm1
7.115
ppm2
0.938

ASSI {9531}

((segid “PROT” and resid 68 and name HN))

((segid “PROT” and resid 69 and name HN))

3.300
2.700
2.200 peak
9531
weight
0.10000E+01 volume
0.19914E+01 ppm1
8.008
ppm2
7.709

ASSI {9561}

((segid “PROT” and resid 68 and name HN))

((segid “PROT” and resid 63 and name HA))

2.800
2.000
2.000 peak
9561
weight
0.10000E+01 volume
0.51283E+01 ppm1
8.010
ppm2
4.736

ASSI {9571}

((segid “PROT” and resid 68 and name HN))

((segid “PROT” and resid 68 and name HA))

3.000
2.200
2.200 peak
9571
weight
0.10000E+01 volume
0.33992E+01 ppm1
8.012
ppm2
4.545

ASSI {9581}

((segid “PROT” and resid 68 and name HN))

((segid “PROT” and resid 66 and name HA))

3.200
2.600
2.300 peak
9581
weight
0.10000E+01 volume
0.25061E+01 ppm1
8.007
ppm2
4.406

ASSI {9591}

((segid “PROT” and resid 68 and name HN))

((segid “PROT” and resid 67 and name HA))

3.200
2.600
2.300 peak
9591
weight
0.10000E+01 volume
0.22241E+01 ppm1
8.008
ppm2
4.080

ASSI {9601}

((segid “PROT” and resid 68 and name HN))

((segid “PROT” and resid 68 and name HB1))

2.700
1.800
1.800 peak
9601
weight
0.10000E+01 volume
0.64844E+01 ppm1
8.010
ppm2
3.066

ASSI {9611}

((segid “PROT” and resid 68 and name HN))

((segid “PROT” and resid 68 and name HB2))

2.800
2.000
2.000 peak
9611
weight
0.10000E+01 volume
0.52689E+01 ppm1
8.013
ppm2
2.942

ASSI {9621}

((segid “PROT” and resid 68 and name HN))

((segid “PROT” and resid 62 and name HB1))

3.000
2.200
2.200 peak
9621
weight
0.10000E+01 volume
0.34737E+01 ppm1
8.012
ppm2
2.069

ASSI {9631}

((segid “PROT” and resid 68 and name HN))

((segid “PROT” and resid 62 and name HB2))

3.300
2.700
2.200 peak
9631
weight
0.10000E+01 volume
0.20544E+01 ppm1
8.009
ppm2
1.048

ASSI {9641}

((segid “PROT” and resid 68 and name HN))

((segid “PROT” and resid 62 and name HD2))

3.500
3.100
2.000 peak
9641
weight
0.10000E+01 volume
0.13121E+01 ppm1
8.009
ppm2
0.839

ASSI {9661}

((segid “PROT” and resid 68 and name HN))

(segid “PROT” and resid 73 and name HD1%)

3.300
2.700
2.200 peak
9661
weight
0.10000E+01 volume
0.18934E+01 ppm1
8.006
ppm2
0.968

ASSI {9671}

((segid “PROT” and resid 49 and name HN))

((segid “PROT” and resid 46 and name HA))

3.600
3.200
1.900 peak
9671
weight
0.10000E+01 volume
0.11481E+01 ppm1
7.104
ppm2
3.480

ASSI {9681}

((segid “PROT” and resid 26 and name HN))

((segid “PROT” and resid 24 and name HN))

3.600
3.200
1.900 peak
9681
weight
0.10000E+01 volume
0.11188E+01 ppm1
8.577
ppm2
8.046

ASSI {9691}

((segid “PROT” and resid 26 and name HN))

((segid “PROT” and resid 28 and name HN))

2.700
1.800
1.800 peak
9691
weight
0.10000E+01 volume
0.58413E+01 ppm1
8.577
ppm2
7.555

ASSI {9701}

((segid “PROT” and resid 26 and name HN))

((segid “PROT” and resid 25 and name HB))

2.800
2.000
2.000 peak
9701
weight
0.10000E+01 volume
0.48076E+01 ppm1
8.580
ppm2
2.409

ASSI {9711}

((segid “PROT” and resid 26 and name HN))

((segid “PROT” and resid 26 and name HB1))

2.500
1.600
1.600 peak
9711
weight
0.10000E+01 volume
0.10862E+02 ppm1
8.577
ppm2
1.885

ASSI {9721}

((segid “PROT” and resid 26 and name HN))

((segid “PROT” and resid 26 and name HG1))

3.200
2.600
2.300 peak
9721
weight
0.10000E+01 volume
0.25005E+01 ppm1
8.578
ppm2
1.503

ASSI {9731}

((segid “PROT” and resid 26 and name HN))

(segid “PROT” and resid 25 and name HG2%)

2.900
2.100
2.100 peak
9731
weight
0.10000E+01 volume
0.41014E+01 ppm1
8.577
ppm2
1.032

ASSI {9741}

((segid “PROT” and resid 26 and name HN))

((segid “PROT” and resid 23 and name HA))

3.000
2.200
2.200 peak
9741
weight
0.10000E+01 volume
0.36360E+01 ppm1
8.575
ppm2
4.040

ASSI {9751}

((segid “PROT” and resid 26 and name HN))

((segid “PROT” and resid 26 and name HA))

2.800
2.000
2.000 peak
9751
weight
0.10000E+01 volume
0.51742E+01 ppm1
8.575
ppm2
3.899

ASSI {9761}

((segid “PROT” and resid 26 and name HN))

((segid “PROT” and resid 28 and name HB2))

3.300
2.700
2.200 peak
9761
weight
0.10000E+01 volume
0.17856E+01 ppm1
8.571
ppm2
2.822

ASSI {9771}

((segid “PROT” and resid 26 and name HN))

((segid “PROT” and resid 22 and name HB2))

3.200
2.600
2.300 peak
9771
weight
0.10000E+01 volume
0.24703E+01 ppm1
8.574
ppm2
1.720

ASSI {9781}

((segid “PROT” and resid 26 and name HN))

(segid “PROT” and resid 25 and name HG1%)

3.200
2.600
2.300 peak
9781
weight
0.10000E+01 volume
0.21814E+01 ppm1
8.575
ppm2
1.204

ASSI {9791}

((segid “PROT” and resid 68 and name HN))

(segid “PROT” and resid 68 and name HD %)

3.400
2.900
2.100 peak
9791
weight
0.10000E+01 volume
0.17151E+01 ppm1
8.012
ppm2
7.177

ASSI {9811}

((segid “PROT” and resid 66 and name HN))

((segid “PROT” and resid 66 and name HB2))

2.900
2.100
2.100 peak
9811
weight
0.10000E+01 volume
0.45427E+01 ppm1
8.165
ppm2
2.064

ASSI {9821}

((segid “PROT” and resid 66 and name HN))

((segid “PROT” and resid 65 and name HN))

2.500
1.600
1.600 peak
9821
weight
0.10000E+01 volume
0.94679E+01 ppm1
8.167
ppm2
7.964

ASSI {9831}

((segid “PROT” and resid 66 and name HN))

((segid “PROT” and resid 65 and name HA))

3.100
2.400
2.400 peak
9831
weight
0.10000E+01 volume
0.29187E+01 ppm1
8.168
ppm2
4.805

ASSI {9841}

((segid “PROT” and resid 66 and name HN))

((segid “PROT” and resid 63 and name HA))

2.900
2.100
2.100 peak
9841
weight
0.10000E+01 volume
0.39314E+01 ppm1
8.166
ppm2
4.740

ASSI {9851}

((segid “PROT” and resid 66 and name HN))

((segid “PROT” and resid 66 and name HA))

2.400
1.400
1.400 peak
9851
weight
0.10000E+01 volume
0.12932E+02 ppm1
8.168
ppm2
4.413

ASSI {9881}

((segid “PROT” and resid 66 and name HN))

((segid “PROT” and resid 66 and name HG2))

2.900
2.100
2.100 peak
9881
weight
0.10000E+01 volume
0.40718E+01 ppm1
8.168
ppm2
1.558

ASSI {9891}

((segid “PROT” and resid 66 and name HN))

((segid “PROT” and resid 65 and name HB2))

3.400
2.900
2.100 peak
9891
weight
0.10000E+01 volume
0.16398E+01 ppm1
8.160
ppm2
2.783

ASSI {9901}

((segid “PROT” and resid 79 and name HN))

((segid “PROT” and resid 80 and name HN))

2.300
1.300
1.300 peak
9901
weight
0.10000E+01 volume
0.14943E+02 ppm1
8.099
ppm2
7.402

ASSI {9911}

((segid “PROT” and resid 79 and name HN))

((segid “PROT” and resid 81 and name HN))

3.300
2.700
2.200 peak
9911
weight
0.10000E+01 volume
0.18162E+01 ppm1
8.097
ppm2
7.043

ASSI {9921}

((segid “PROT” and resid 79 and name HN))

((segid “PROT” and resid 75 and name HA))

3.100
2.400
2.400 peak
9921
weight
0.10000E+01 volume
0.26898E+01 ppm1
8.100
ppm2
4.089

ASSI {9941}

((segid “PROT” and resid 79 and name HN))

((segid “PROT” and resid 79 and name HA))

2.700
1.800
1.800 peak
9941
weight
0.10000E+01 volume
0.59060E+01 ppm1
8.098
ppm2
3.824

ASSI {9951}

((segid “PROT” and resid 79 and name HN))

((segid “PROT” and resid 78 and name HA))

3.400
2.900
2.100 peak
9951
weight
0.10000E+01 volume
0.17317E+01 ppm1
8.102
ppm2
3.388

ASSI {9961}

((segid “PROT” and resid 79 and name HN))

((segid “PROT” and resid 79 and name HG1))

2.800
2.000
2.000 peak
9961
weight
0.10000E+01 volume
0.52811E+01 ppm1
8.100
ppm2
2.455

ASSI {9971}

((segid “PROT” and resid 79 and name HN))

((segid “PROT” and resid 79 and name HB1))

2.500
1.600
1.600 peak
9971
weight
0.10000E+01 volume
0.10887E+02 ppm1
8.099
ppm2
2.184

ASSI {9981}

((segid “PROT” and resid 79 and name HN))

((segid “PROT” and resid 79 and name HB2))

2.500
1.600
1.600 peak
9981
weight
0.10000E+01 volume
0.95335E+01 ppm1
8.101
ppm2
2.088

ASSI {9991}

((segid “PROT” and resid 79 and name HN))

((segid “PROT” and resid 78 and name HB1))

2.900
2.100
2.100 peak
9991
weight
0.10000E+01 volume
0.38537E+01 ppm1
8.096
ppm2
0.720

ASSI {10001}

((segid “PROT” and resid 79 and name HN))

((segid “PROT” and resid 78 and name HB2))

3.100
2.400
2.400 peak
10001
weight
0.10000E+01 volume
0.25858E+01 ppm1
8.098
ppm2
0.451

ASSI {10011}

((segid “PROT” and resid 79 and name HN))

(segid “PROT” and resid 78 and name HD1%)

3.500
3.100
2.000 peak
10011
weight
0.10000E+01 volume
0.13409E+01 ppm1
8.094
ppm2
0.067

ASSI {10021}

((segid “PROT” and resid 36 and name HN))

((segid “PROT” and resid 56 and name HN))

3.500
3.100
2.000 peak
10021
weight
0.10000E+01 volume
0.12688E+01 ppm1
7.690
ppm2
9.127

ASSI {10041}

((segid “PROT” and resid 36 and name HN))

((segid “PROT” and resid 34 and name HA))

3.500
3.100
2.000 peak
10041
weight
0.10000E+01 volume
0.13356E+01 ppm1
7.691
ppm2
4.975

ASSI {10051}

((segid “PROT” and resid 36 and name HN))

((segid “PROT” and resid 36 and name HA))

2.700
1.800
1.800 peak
10051
weight
0.10000E+01 volume
0.61193E+01 ppm1
7.691
ppm2
4.846

ASSI {10061}

((segid “PROT” and resid 36 and name HN))

((segid “PROT” and resid 55 and name HA))

3.000
2.200
2.200 peak
10061
weight
0.10000E+01 volume
0.33550E+01 ppm1
7.693
ppm2
4.744

ASSI {10071}

((segid “PROT” and resid 36 and name HN))

((segid “PROT” and resid 35 and name HA))

3.000
2.200
2.200 peak
10071
weight
0.10000E+01 volume
0.33318E+01 ppm1
7.692
ppm2
4.310

ASSI {10081}

((segid “PROT” and resid 36 and name HN))

((segid “PROT” and resid 36 and name HG1))

2.400
1.400
1.400 peak
10081
weight
0.10000E+01 volume
0.12415E+02 ppm1
7.692
ppm2
2.186

ASSI {10091}

((segid “PROT” and resid 36 and name HN))

((segid “PROT” and resid 36 and name HB2))

2.600
1.700
1.700 peak
10091
weight
0.10000E+01 volume
0.75637E+01 ppm1
7.691
ppm2
1.775

ASSI {10101}

((segid “PROT” and resid 36 and name HN))

((segid “PROT” and resid 57 and name HN))

3.600
3.200
1.900 peak
10101
weight
0.10000E+01 volume
0.11945E+01 ppm1
7.686
ppm2
8.787

ASSI {10111}

((segid “PROT” and resid 36 and name HN))

((segid “PROT” and resid 37 and name HD1))

3.300
2.700
2.200 peak
10111
weight
0.10000E+01 volume
0.19817E+01 ppm1
7.685
ppm2
3.675

ASSI {10121}

((segid “PROT” and resid 36 and name HN))

((segid “PROT” and resid 35 and name HG1))

3.400
2.900
2.100 peak
10121
weight
0.10000E+01 volume
0.16945E+01 ppm1
7.688
ppm2
2.874

ASSI {10131}

((segid “PROT” and resid 47 and name HN))

((segid “PROT” and resid 53 and name HD1))

3.200
2.600
2.300 peak
10131
weight
0.10000E+01 volume
0.23466E+01 ppm1
8.421
ppm2
3.609

ASSI {10151}

((segid “PROT” and resid 94 and name HN))

((segid “PROT” and resid 94 and name HA))

2.600
1.700
1.700 peak
10151
weight
0.10000E+01 volume
0.75591E+01 ppm1
8.402
ppm2
4.230

ASSI {10161}

((segid “PROT” and resid 94 and name HN))

((segid “PROT” and resid 96 and name HB2))

3.000
2.200
2.200 peak
10161
weight
0.10000E+01 volume
0.31379E+01 ppm1
8.397
ppm2
2.566

ASSI {10171}

((segid “PROT” and resid 94 and name HN))

((segid “PROT” and resid 90 and name HB1))

3.200
2.600
2.300 peak
10171
weight
0.10000E+01 volume
0.22427E+01 ppm1
8.405
ppm2
2.336

ASSI {10181}

((segid “PROT” and resid 94 and name HN))

((segid “PROT” and resid 94 and name HG1))

2.600
1.700
1.700 peak
10181
weight
0.10000E+01 volume
0.83426E+01 ppm1
8.401
ppm2
2.236

ASSI {10201}

((segid “PROT” and resid 94 and name HN))

((segid “PROT” and resid 94 and name HB2))

2.500
1.600
1.600 peak
10201
weight
0.10000E+01 volume
0.92976E+01 ppm1
8.402
ppm2
1.989

ASSI {10211}

((segid “PROT” and resid 94 and name HN))

((segid “PROT” and resid 97 and name HG1))

3.600
3.200
1.900 peak
10211
weight
0.10000E+01 volume
0.12042E+01 ppm1
8.403
ppm2
1.853

ASSI {10231}

((segid “PROT” and resid 20 and name HN))

((segid “PROT” and resid 22 and name HN))

3.300
2.700
2.200 peak
10231
weight
0.10000E+01 volume
0.19933E+01 ppm1
7.546
ppm2
8.853

ASSI {10241}

((segid “PROT” and resid 20 and name HN))

((segid “PROT” and resid 19 and name HN))

2.500
1.600
1.600 peak
10241
weight
0.10000E+01 volume
0.93544E+01 ppm1
7.545
ppm2
8.569

ASSI {10251}

((segid “PROT” and resid 20 and name HN))

((segid “PROT” and resid 21 and name HN))

2.500
1.600
1.600 peak
10251
weight
0.10000E+01 volume
0.94546E+01 ppm1
7.546
ppm2
7.924

ASSI {10261}

((segid “PROT” and resid 20 and name HN))

((segid “PROT” and resid 18 and name HN))

3.300
2.700
2.200 peak
10261
weight
0.10000E+01 volume
0.18399E+01 ppm1
7.547
ppm2
8.489

ASSI {10281}

((segid “PROT” and resid 20 and name HN))

((segid “PROT” and resid 20 and name HA))

2.600
1.700
1.700 peak
10281
weight
0.10000E+01 volume
0.89922E+01 ppm1
7.547
ppm2
4.302

ASSI {10291}

((segid “PROT” and resid 20 and name HN))

((segid “PROT” and resid 16 and name HA))

2.900
2.100
2.100 peak
10291
weight
0.10000E+01 volume
0.38903E+01 ppm1
7.547
ppm2
4.188

ASSI {10301}

((segid “PROT” and resid 20 and name HN))

((segid “PROT” and resid 20 and name HB1))

2.200
1.200
1.200 peak
10301
weight
0.10000E+01 volume
0.20909E+02 ppm1
7.546
ppm2
4.077

ASSI {10311}

((segid “PROT” and resid 20 and name HN))

((segid “PROT” and resid 17 and name HA))

2.700
1.800
1.800 peak
10311
weight
0.10000E+01 volume
0.67614E+01 ppm1
7.547
ppm2
3.948

ASSI {10321}

((segid “PROT” and resid 20 and name HN))

((segid “PROT” and resid 21 and name HA))

3.400
2.900
2.100 peak
10321
weight
0.10000E+01 volume
0.17488E+01 ppm1
7.547
ppm2
3.788

ASSI {10331}

((segid “PROT” and resid 20 and name HN))

((segid “PROT” and resid 21 and name HB))

3.400
2.900
2.100 peak
10331
weight
0.10000E+01 volume
0.16067E+01 ppm1
7.546
ppm2
1.925

ASSI {10341}

((segid “PROT” and resid 20 and name HN))

((segid “PROT” and resid 19 and name HB1))

2.600
1.700
1.700 peak
10341
weight
0.10000E+01 volume
0.76773E+01 ppm1
7.545
ppm2
1.708

ASSI {10351}

((segid “PROT” and resid 20 and name HN))

((segid “PROT” and resid 19 and name HB2))

2.900
2.100
2.100 peak
10351
weight
0.10000E+01 volume
0.42261E+01 ppm1
7.546
ppm2
1.379

ASSI {10361}

((segid “PROT” and resid 20 and name HN))

((segid “PROT” and resid 19 and name HG1))

2.900
2.100
2.100 peak
10361
weight
0.10000E+01 volume
0.44504E+01 ppm1
7.547
ppm2
1.283

ASSI {10371}

((segid “PROT” and resid 20 and name HN))

(segid “PROT” and resid 17 and name HG2%)

3.400
2.900
2.100 peak
10371
weight
0.10000E+01 volume
0.15554E+01 ppm1
7.549
ppm2
1.166

ASSI {10391}

((segid “PROT” and resid 20 and name HN))

((segid “PROT” and resid 19 and name HA))

3.000
2.200
2.200 peak
10391
weight
0.10000E+01 volume
0.34252E+01 ppm1
7.543
ppm2
3.696

ASSI {10401}

((segid “PROT” and resid 20 and name HN))

((segid “PROT” and resid 21 and name HG12))

3.300
2.700
2.200 peak
10401
weight
0.10000E+01 volume
0.17938E+01 ppm1
7.542
ppm2
1.039

ASSI {10411}

((segid “PROT” and resid 34 and name HN))

((segid “PROT” and resid 35 and name HN))

2.300
1.300
1.300 peak
10411
weight
0.10000E+01 volume
0.15055E+02 ppm1
7.612
ppm2
7.150

ASSI {10421}

((segid “PROT” and resid 34 and name HN))

((segid “PROT” and resid 34 and name HA))

3.000
2.200
2.200 peak
10421
weight
0.10000E+01 volume
0.34973E+01 ppm1
7.614
ppm2
4.977

ASSI {10431}

((segid “PROT” and resid 34 and name HN))

((segid “PROT” and resid 32 and name HA))

3.200
2.600
2.300 peak
10431
weight
0.10000E+01 volume
0.22167E+01 ppm1
7.615
ppm2
4.402

ASSI {10441}

((segid “PROT” and resid 34 and name HN))

((segid “PROT” and resid 34 and name HB1))

3.000
2.200
2.200 peak
10441
weight
0.10000E+01 volume
0.31345E+01 ppm1
7.614
ppm2
3.488

ASSI {10451}

((segid “PROT” and resid 34 and name HN))

((segid “PROT” and resid 35 and name HG1))

3.100
2.400
2.400 peak
10451
weight
0.10000E+01 volume
0.30809E+01 ppm1
7.612
ppm2
2.867

ASSI {10461}

((segid “PROT” and resid 34 and name HN))

((segid “PROT” and resid 34 and name HB2))

2.800
2.000
2.000 peak
10461
weight
0.10000E+01 volume
0.48777E+01 ppm1
7.612
ppm2
2.596

ASSI {10471}

((segid “PROT” and resid 34 and name HN))

((segid “PROT” and resid 33 and name HD1))

2.900
2.100
2.100 peak
10471
weight
0.10000E+01 volume
0.40744E+01 ppm1
7.614
ppm2
2.227

ASSI {10481}

((segid “PROT” and resid 34 and name HN))

((segid “PROT” and resid 56 and name HG))

3.200
2.600
2.300 peak
10481
weight
0.10000E+01 volume
0.22953E+01 ppm1
7.611
ppm2
1.734

ASSI {10491}

((segid “PROT” and resid 34 and name HN))

((segid “PROT” and resid 33 and name HD2))

3.400
2.900
2.100 peak
10491
weight
0.10000E+01 volume
0.17403E+01 ppm1
7.613
ppm2
1.555

ASSI {10501}

((segid “PROT” and resid 34 and name HN))

((segid “PROT” and resid 33 and name HB1))

3.400
2.900
2.100 peak
10501
weight
0.10000E+01 volume
0.15736E+01 ppm1
7.611
ppm2
1.022

ASSI {10521}

((segid “PROT” and resid 34 and name HN))

(segid “PROT” and resid 81 and name HG2%)

3.500
3.100
2.000 peak
10521
weight
0.10000E+01 volume
0.13578E+01 ppm1
7.614
ppm2
0.128

ASSI {10531}

((segid “PROT” and resid 34 and name HN))

((segid “PROT” and resid 33 and name HB2))

3.500
3.100
2.000 peak
10531
weight
0.10000E+01 volume
0.13341E+01 ppm1
7.613
ppm2
−0.480

ASSI {10541}

((segid “PROT” and resid 92 and name HN))

((segid “PROT” and resid 92 and name HA))

3.500
3.100
2.000 peak
10541
weight
0.10000E+01 volume
0.12495E+01 ppm1
8.471
ppm2
4.224

ASSI {10551}

((segid “PROT” and resid 92 and name HN))

((segid “PROT” and resid 90 and name HD1))

3.100
2.400
2.400 peak
10551
weight
0.10000E+01 volume
0.27898E+01 ppm1
8.475
ppm2
4.115

ASSI {10561}

((segid “PROT” and resid 47 and name HN))

((segid “PROT” and resid 47 and name HB1))

3.200
2.600
2.300 peak
10561
weight
0.10000E+01 volume
0.23977E+01 ppm1
8.473
ppm2
3.212

ASSI {10571}

((segid “PROT” and resid 92 and name HN))

((segid “PROT” and resid 92 and name HG1))

3.200
2.600
2.300 peak
10571
weight
0.10000E+01 volume
0.22443E+01 ppm1
8.476
ppm2
2.389

ASSI {10581}

((segid “PROT” and resid 47 and name HN))

((segid “PROT” and resid 46 and name HN))

3.100
2.400
2.400 peak
10581
weight
0.10000E+01 volume
0.29705E+01 ppm1
8.469
ppm2
8.038

ASSI {10601}

((segid “PROT” and resid 92 and name HN))

((segid “PROT” and resid 96 and name HN))

3.400
2.900
2.100 peak
10601
weight
0.10000E+01 volume
0.16185E+01 ppm1
8.470
ppm2
7.383

ASSI {10621}

((segid “PROT” and resid 47 and name HN))

((segid “PROT” and resid 47 and name HB2))

3.000
2.200
2.200 peak
10621
weight
0.10000E+01 volume
0.34111E+01 ppm1
8.468
ppm2
2.819

ASSI {10631}

((segid “PROT” and resid 34 and name HN))

((segid “PROT” and resid 33 and name HA))

3.300
2.700
2.200 peak
10631
weight
0.10000E+01 volume
0.18895E+01 ppm1
7.619
ppm2
3.944

ASSI {10641}

((segid “PROT” and resid 65 and name HD21))

((segid “PROT” and resid 65 and name HB2))

3.200
2.600
2.300 peak
10641
weight
0.10000E+01 volume
0.22232E+01 ppm1
7.608
ppm2
2.798

ASSI {10651}

((segid “PROT” and resid 34 and name HN))

((segid “PROT” and resid 56 and name HB1))

3.400
2.900
2.100 peak
10651
weight
0.10000E+01 volume
0.16335E+01 ppm1
7.613
ppm2
2.105

ASSI {10661}

((segid “PROT” and resid 65 and name HD21))

((segid “PROT” and resid 65 and name HD22))

2.200
1.200
1.200 peak
10661
weight
0.10000E+01 volume
0.19920E+02 ppm1
7.602
ppm2
6.975

ASSI {10671}

((segid “PROT” and resid 65 and name HD21))

((segid “PROT” and resid 65 and name HB1))

3.400
2.900
2.100 peak
10671
weight
0.10000E+01 volume
0.16947E+01 ppm1
7.608
ppm2
3.037

ASSI {10691}

((segid “PROT” and resid 65 and name HD22))

((segid “PROT” and resid 65 and name HB1))

3.500
3.100
2.000 peak
10691
weight
0.10000E+01 volume
0.13236E+01 ppm1
6.963
ppm2
3.024

ASSI {10701}

((segid “PROT” and resid 32 and name HE1))

((segid “PROT” and resid 32 and name HD1))

2.600
1.700
1.700 peak
10701
weight
0.10000E+01 volume
0.72566E+01 ppm1
10.416
ppm2
7.865

ASSI {10731}

((segid “PROT” and resid 32 and name HE1))

((segid “PROT” and resid 30 and name HA))

3.200
2.600
2.300 peak
10731
weight
0.10000E+01 volume
0.23935E+01 ppm1
10.418
ppm2
4.831

ASSI {10741}

((segid “PROT” and resid 32 and name HE1))

((segid “PROT” and resid 32 and name HB2))

3.500
3.100
2.000 peak
10741
weight
0.10000E+01 volume
0.12701E+01 ppm1
10.417
ppm2
3.361

ASSI {10771}

((segid “PROT” and resid 32 and name HE1))

((segid “PROT” and resid 32 and name HE3))

3.100
2.400
2.400 peak
10771
weight
0.10000E+01 volume
0.27416E+01 ppm1
10.414
ppm2
7.340

ASSI {10791}

((segid “PROT” and resid 32 and name HE1))

((segid “PROT” and resid 29 and name HG2))

3.400
2.900
2.100 peak
10791
weight
0.10000E+01 volume
0.16873E+01 ppm1
10.419
ppm2
2.423

ASSI {10801}

((segid “PROT” and resid 16 and name HN))

(segid “PROT” and resid 15 and name HD%)

3.200
2.600
2.300 peak
10801
weight
0.10000E+01 volume
0.22526E+01 ppm1
8.194
ppm2
7.068

ASSI {10821}

((segid “PROT” and resid 16 and name HN))

((segid “PROT” and resid 15 and name HN))

2.600
1.700
1.700 peak
10821
weight
0.10000E+01 volume
0.86346E+01 ppm1
8.190
ppm2
7.998

ASSI {10851}

((segid “PROT” and resid 16 and name HN))

((segid “PROT” and resid 12 and name HA))

2.700
1.800
1.800 peak
10851
weight
0.10000E+01 volume
0.66059E+01 ppm1
8.188
ppm2
4.738

ASSI {10861}

((segid “PROT” and resid 16 and name HN))

((segid “PROT” and resid 16 and name HA))

2.900
2.100
2.100 peak
10861
weight
0.10000E+01 volume
0.42394E+01 ppm1
8.186
ppm2
4.176

ASSI {10871}

((segid “PROT” and resid 16 and name HN))

((segid “PROT” and resid 16 and name HB1))

2.300
1.300
1.300 peak
10871
weight
0.10000E+01 volume
0.15224E+02 ppm1
8.189
ppm2
4.023

ASSI {10881}

((segid “PROT” and resid 16 and name HN))

((segid “PROT” and resid 16 and name HB2))

2.500
1.600
1.600 peak
10881
weight
0.10000E+01 volume
0.91687E+01 ppm1
8.190
ppm2
3.935

ASSI {10891}

((segid “PROT” and resid 16 and name HN))

((segid “PROT” and resid 15 and name HB1))

2.900
2.100
2.100 peak
10891
weight
0.10000E+01 volume
0.40710E+01 ppm1
8.189
ppm2
3.220

ASSI {10901}

((segid “PROT” and resid 16 and name HN))

((segid “PROT” and resid 15 and name HB2))

2.700
1.800
1.800 peak
10901
weight
0.10000E+01 volume
0.61026E+01 ppm1
8.190
ppm2
3.051

ASSI {10911}

((segid “PROT” and resid 16 and name HN))

((segid “PROT” and resid 18 and name HG))

3.600
3.200
1.900 peak
10911
weight
0.10000E+01 volume
0.12027E+01 ppm1
8.188
ppm2
1.683

ASSI {10931}

((segid “PROT” and resid 16 and name HN))

((segid “PROT” and resid 17 and name HB))

3.400
2.900
2.100 peak
10931
weight
0.10000E+01 volume
0.16655E+01 ppm1
8.186
ppm2
4.263

ASSI {10951}

((segid “PROT” and resid 29 and name HE21))

((segid “PROT” and resid 29 and name HE22))

2.000
1.000
1.000 peak
10951
weight
0.10000E+01 volume
0.39167E+02 ppm1
7.574
ppm2
6.873

ASSI {11041}

((segid “PROT” and resid 70 and name HN))

((segid “PROT” and resid 69 and name HN))

2.500
1.600
1.600 peak
11041
weight
0.10000E+01 volume
0.10515E+02 ppm1
7.446
ppm2
7.703

ASSI {11051}

((segid “PROT” and resid 70 and name HN))

(segid “PROT” and resid 68 and name HD%)

3.400
2.900
2.100 peak
11051
weight
0.10000E+01 volume
0.15733E+01 ppm1
7.448
ppm2
7.174

ASSI {11061}

((segid “PROT” and resid 70 and name HN))

((segid “PROT” and resid 74 and name HN))

3.500
3.100
2.000 peak
11061
weight
0.10000E+01 volume
0.14404E+01 ppm1
7.452
ppm2
6.918

ASSI {11071}

((segid “PROT” and resid 70 and name HN))

((segid “PROT” and resid 68 and name HA))

2.900
2.100
2.100 peak
11071
weight
0.10000E+01 volume
0.37994E+01 ppm1
7.449
ppm2
4.548

ASSI {11081}

((segid “PROT” and resid 70 and name HN))

((segid “PROT” and resid 70 and name HB1))

3.000
2.200
2.200 peak
11081
weight
0.10000E+01 volume
0.32723E+01 ppm1
7.445
ppm2
4.226

ASSI {11091}

((segid “PROT” and resid 70 and name HN))

((segid “PROT” and resid 70 and name HB2))

3.000
2.200
2.200 peak
11091
weight
0.10000E+01 volume
0.35063E+01 ppm1
7.446
ppm2
3.774

ASSI {11101}

((segid “PROT” and resid 70 and name HN))

((segid “PROT” and resid 68 and name HB2))

3.400
2.900
2.100 peak
11101
weight
0.10000E+01 volume
0.16583E+01 ppm1
7.446
ppm2
2.935

ASSI {11111}

((segid “PROT” and resid 70 and name HN))

((segid “PROT” and resid 73 and name HB1))

3.100
2.400
2.400 peak
11111
weight
0.10000E+01 volume
0.29172E+01 ppm1
7.446
ppm2
2.000

ASSI {11121}

((segid “PROT” and resid 70 and name HN))

((segid “PROT” and resid 73 and name HB2))

3.100
2.400
2.400 peak
11121
weight
0.10000E+01 volume
0.26620E+01 ppm1
7.447
ppm2
1.894

ASSI (11131}

((segid “PROT” and resid 70 and name HN))

(segid “PROT” and resid 14 and name HD2%)

2.500
1.600
1.600 peak
11131
weight
0.10000E+01 volume
0.11170E+02 ppm1
7.446
ppm2
0.836

ASSI {11141}

((segid “PROT” and resid 70 and name HN))

((segid “PROT” and resid 69 and name HA))

2.900
2.100
2.100 peak
11141
weight
0.10000E+01 volume
0.44901E+01 ppm1
7.445
ppm2
4.097

ASSI {11151}

((segid “PROT” and resid 70 and name HN))

((segid “PROT” and resid 69 and name HB))

3.200
2.600
2.300 peak
11151
weight
0.10000E+01 volume
0.25399E+01 ppm1
7.445
ppm2
2.326

ASSI {11161}

((segid “PROT” and resid 70 and name HN))

((segid “PROT” and resid 73 and name HG))

3.400
2.900
2.100 peak
11161
weight
0.10000E+01 volume
0.15757E+01 ppm1
7.443
ppm2
1.769

ASSI {11171}

((segid “PROT” and resid 70 and name HN))

(segid “PROT” and resid 73 and name HD1%)

2.500
1.600
1.600 peak
11171
weight
0.10000E+01 volume
0.10896E+02 ppm1
7.445
ppm2
0.952

ASSI {11181}

((segid “PROT” and resid 79 and name HE21))

((segid “PROT” and resid 79 and name HE22))

2.100
1.100
1.100 peak
11181
weight
0.10000E+01 volume
0.30858E+02 ppm1
7.315
ppm2
7.232

ASSI {11191}

((segid “PROT” and resid 79 and name HE21))

((segid “PROT” and resid 79 and name HG1))

3.000
2.200
2.200 peak
11191
weight
0.10000E+01 volume
0.31916E+01 ppm1
7.310
ppm2
2.457

ASSI {11221}

((segid “PROT” and resid 79 and name HE22))

((segid “PROT” and resid 79 and name HG1))

3.500
3.100
2.000 peak
11221
weight
0.10000E+01 volume
0.13222E+01 ppm1
7.232
ppm2
2.458

ASSI {11231}

((segid “PROT” and resid 27 and name HN))

((segid “PROT” and resid 26 and name HN))

2.600
1.700
1.700 peak
11231
weight
0.10000E+01 volume
0.89340E+01 ppm1
7.552
ppm2
8.572

ASSI {11241}

((segid “PROT” and resid 27 and name HN))

((segid “PROT” and resid 27 and name HA))

2.700
1.800
1.800 peak
11241
weight
0.10000E+01 volume
0.63843E+01 ppm1
7.552
ppm2
4.465

ASSI {11251}

((segid “PROT” and resid 27 and name HN))

((segid “PROT” and resid 24 and name HA))

3.000
2.200
2.200 peak
11251
weight
0.10000E+01 volume
0.31959E+01 ppm1
7.551
ppm2
4.188

ASSI {11261}

((segid “PROT” and resid 27 and name HN))

((segid “PROT” and resid 28 and name HB1))

3.500
3.100
2.000 peak
11261
weight
0.10000E+01 volume
0.14785E+01 ppm1
7.552
ppm2
2.997

ASSI {11271}

((segid “PROT” and resid 27 and name HN))

((segid “PROT” and resid 28 and name HB2))

3.500
3.100
2.000 peak
11271
weight
0.10000E+01 volume
0.13992E+01 ppm1
7.554
ppm2
2.778

ASSI {11291}

((segid “PROT” and resid 27 and name HN))

(segid “PROT” and resid 31 and name HB%)

3.400
2.900
2.100 peak
11291
weight
0.10000E+01 volume
0.14984E+01 ppm1
7.553
ppm2
1.733

ASSI {11301}

((segid “PROT” and resid 27 and name HN))

((segid “PROT” and resid 27 and name HB1))

2.400
1.400
1.400 peak
11301
weight
0.10000E+01 volume
0.12213E+02 ppm1
7.551
ppm2
4.034

ASSI {11311}

((segid “PROT” and resid 27 and name HN))

((segid “PROT” and resid 26 and name HA))

2.900
2.100
2.100 peak
11311
weight
0.10000E+01 volume
0.39762E+01 ppm1
7.550
ppm2
3.908

ASSI {11321}

((segid “PROT” and resid 27 and name HN))

((segid “PROT” and resid 26 and name HB1))

2.800
2.000
2.000 peak
11321
weight
0.10000E+01 volume
0.48756E+01 ppm1
7.551
ppm2
1.892

ASSI {11331}

((segid “PROT” and resid 24 and name HE21))

((segid “PROT” and resid 24 and name HE22))

2.100
1.100
1.100 peak
11331
weight
0.10000E+01 volume
0.25925E+02 ppm1
7.026
ppm2
6.911

ASSI {11341}

((segid “PROT” and resid 24 and name HE21))

((segid “PROT” and resid 24 and name HG1))

3.200
2.600
2.300 peak
11341
weight
0.10000E+01 volume
0.24518E+01 ppm1
7.025
ppm2
2.863

ASSI {11351}

((segid “PROT” and resid 24 and name HE21))

((segid “PROT” and resid 24 and name HG2))

3.400
2.900
2.100 peak
11351
weight
0.10000E+01 volume
0.16618E+01 ppm1
7.026
ppm2
2.481

ASSI {11371}

((segid “PROT” and resid 24 and name HE22))

((segid “PROT” and resid 24 and name HG1))

3.600
3.200
1.900 peak
11371
weight
0.10000E+01 volume
0.11102E+01 ppm1
6.903
ppm2
2.863

ASSI {11381}

((segid “PROT” and resid 39 and name HN))

((segid “PROT” and resid 39 and name HG2))

3.000
2.200
2.200 peak
11381
weight
0.10000E+01 volume
0.31902E+01 ppm1
9.090
ppm2
1.449

ASSI {11391}

((segid “PROT” and resid 39 and name HN))

((segid “PROT” and resid 38 and name HN))

3.600
3.200
1.900 peak
11391
weight
0.10000E+01 volume
0.11942E+01 ppm1
9.087
ppm2
8.338

ASSI {11401}

((segid “PROT” and resid 39 and name HN))

((segid “PROT” and resid 39 and name HA))

3.100
2.400
2.400 peak
11401
weight
0.10000E+01 volume
0.26384E+01 ppm1
9.083
ppm2
4.436

ASSI {11411}

((segid “PROT” and resid 39 and name HN))

((segid “PROT” and resid 38 and name HA))

2.300
1.300
1.300 peak
11411
weight
0.10000E+01 volume
0.15682E+02 ppm1
9.086
ppm2
3.475

ASSI {11431}

((segid “PROT” and resid 39 and name HN))

((segid “PROT” and resid 39 and name HB1))

3.300
2.700
2.200 peak
11431
weight
0.10000E+01 volume
0.18750E+01 ppm1
9.085
ppm2
2.033

ASSI {11441}

((segid “PROT” and resid 39 and name HN))

((segid “PROT” and resid 39 and name HB2))

3.000
2.200
2.200 peak
11441
weight
0.10000E+01 volume
0.37080E+01 ppm1
9.083
ppm2
1.911

ASSI {11451}

((segid “PROT” and resid 39 and name HN))

((segid “PROT” and resid 39 and name HD2))

2.500
1.600
1.600 peak
11451
weight
0.10000E+01 volume
0.93310E+01 ppm1
9.086
ppm2
1.639

ASSI {11461}

((segid “PROT” and resid 39 and name HN))

((segid “PROT” and resid 38 and name HB))

3.500
3.100
2.000 peak
11461
weight
0.10000E+01 volume
0.12532E+01 ppm1
9.086
ppm2
1.057

ASSI {11471}

((segid “PROT” and resid 39 and name HN))

(segid “PROT” and resid 38 and name HG1%)

3.100
2.400
2.400 peak
11471
weight
0.10000E+01 volume
0.26696E+01 ppm1
9.082
ppm2
0.470

ASSI {11481}

((segid “PROT” and resid 39 and name HN))

(segid “PROT” and resid 38 and name HG2%)

2.800
2.000
2.000 peak
11481
weight
0.10000E+01 volume
0.55974E+01 ppm1
9.085
ppm2
−0.027

ASSI {11491}

((segid “PROT” and resid 76 and name HN))

((segid “PROT” and resid 78 and name HN))

2.600
1.700
1.700 peak
11491
weight
0.10000E+01 volume
0.88670E+01 ppm1
8.020
ppm2
7.383

ASSI {11511}

((segid “PROT” and resid 110 and name HN))

((segid “PROT” and resid 111 and name HB1))

3.400
2.900
2.100 peak
11511
weight
0.10000E+01 volume
0.16849E+01 ppm1
8.123
ppm2
1.889

ASSI {11531}

((segid “PROT” and resid 31 and name HN))

((segid “PROT” and resid 29 and name HA))

3.100
2.400
2.400 peak
11531
weight
0.10000E+01 volume
0.30332E+01 ppm1
7.915
ppm2
4.219

ASSI {11541}

((segid “PROT” and resid 31 and name HN))

((segid “PROT” and resid 98 and name HB1))

3.500
3.100
2.000 peak
11541
weight
0.10000E+01 volume
0.14720E+01 ppm1
7.918
ppm2
3.384

ASSI {11551}

((segid “PROT” and resid 31 and name HN))

((segid “PROT” and resid 30 and name HB2))

3.300
2.700
2.200 peak
11551
weight
0.10000E+01 volume
0.20522E+01 ppm1
7.914
ppm2
3.975

ASSI {11561}

((segid “PROT” and resid 87 and name HN))

((segid “PROT” and resid 87 and name HB2))

2.600
1.700
1.700 peak
11561
weight
0.10000E+01 volume
0.79508E+01 ppm1
7.951
ppm2
2.048

ASSI {11571}

((segid “PROT” and resid 75 and name HN))

((segid “PROT” and resid 77 and name HN))

3.400
2.900
2.100 peak
11571
weight
0.10000E+01 volume
0.16867E+01 ppm1
8.505
ppm2
7.389

ASSI {11581}

((segid “PROT” and resid 12 and name HN))

((segid “PROT” and resid 15 and name HB1))

3.600
3.200
1.900 peak
11581
weight
0.10000E+01 volume
0.10787E+01 ppm1
8.421
ppm2
3.231

ASSI {11591}

((segid “PROT” and resid 112 and name HN))

((segid “PROT” and resid 110 and name HA))

3.400
2.900
2.100 peak
11591
weight
0.10000E+01 volume
0.17506E+01 ppm1
8.062
ppm2
3.881

ASSI {11611}

((segid “PROT” and resid 9 and name HN))

((segid “PROT” and resid 9 and name HB2))

2.900
2.100
2.100 peak
11611
weight
0.10000E+01 volume
0.44369E+01 ppm1
8.447
ppm2
1.837

ASSI {11621}

((segid “PROT” and resid 63 and name HN))

((segid “PROT” and resid 63 and name HA))

3.000
2.200
2.200 peak
11621
weight
0.10000E+01 volume
0.36776E+01 ppm1
8.888
ppm2
4.695

ASSI {11631}

((segid “PROT” and resid 55 and name HN))

((segid “PROT” and resid 56 and name HA))

3.000
2.200
2.200 peak
11631
weight
0.10000E+01 volume
0.35373E+01 ppm1
7.381
ppm2
4.088

ASSI {11641}

((segid “PROT” and resid 55 and name HN))

(segid “PROT” and resid 54 and name HE%)

2.800
2.000
2.000 peak
11641
weight
0.10000E+01 volume
0.49789E+01 ppm1
7.384
ppm2
1.984

ASSI {11651}

((segid “PROT” and resid 55 and name HN))

((segid “PROT” and resid 59 and name HB2))

2.900
2.100
2.100 peak
11651
weight
0.10000E+01 volume
0.46532E+01 ppm1
7.383
ppm2
1.876

ASSI {11661}

((segid “PROT” and resid 27 and name HN))

(segid “PROT” and resid 25 and name HG2%)

3.600
3.200
1.900 peak
11661
weight
0.10000E+01 volume
0.11987E+01 ppm1
7.554
ppm2
1.036

ASSI {11681}

((segid “PROT” and resid 94 and name HN))

((segid “PROT” and resid 97 and name HG2))

2.900
2.100
2.100 peak
11681
weight
0.10000E+01 volume
0.38242E+01 ppm1
8.402
ppm2
1.585

ASSI {11691}

((segid “PROT” and resid 24 and name HN))

((segid “PROT” and resid 23 and name HA))

3.000
2.200
2.200 peak
11691
weight
0.10000E+01 volume
0.35931E+01 ppm1
8.042
ppm2
4.044

ASSI {11701}

((segid “PROT” and resid 15 and name HN))

((segid “PROT” and resid 13 and name HA))

3.200
2.600
2.300 peak
11701
weight
0.10000E+01 volume
0.21533E+01 ppm1
7.997
ppm2
4.181

ASSI {11711}

((segid “PROT” and resid 29 and name HN))

((segid “PROT” and resid 31 and name HN))

3.700
3.400
1.800 peak
11711
weight
0.10000E+01 volume
0.91890E+00 ppm1
8.580
ppm2
7.899

ASSI {11731}

((segid “PROT” and resid 82 and name HN))

((segid “PROT” and resid 80 and name HA))

3.700
3.400
1.800 peak
11731
weight
0.10000E+01 volume
0.10073E+01 ppm1
6.398
ppm2
4.050

ASSI {11741}

((segid “PROT” and resid 82 and name HN))

((segid “PROT” and resid 78 and name HA))

3.600
3.200
1.900 peak
11741
weight
0.10000E+01 volume
0.10688E+01 ppm1
6.397
ppm2
3.388

ASSI {11761}

((segid “PROT” and resid 70 and name HN))

((segid “PROT” and resid 68 and name HB1))

3.700
3.400
1.800 peak
11761
weight
0.10000E+01 volume
0.91320E+00 ppm1
7.444
ppm2
3.074

ASSI {11781}

((segid “PROT” and resid 32 and name HE1))

((segid “PROT” and resid 32 and name HB1))

3.700
3.400
1.800 peak
11781
weight
0.10000E+01 volume
0.93370E+00 ppm1
10.419
ppm2
3.640

ASSI {11791}

((segid “PROT” and resid 34 and name HN))

((segid “PROT” and resid 33 and name HG1))

3.700
3.400
1.800 peak
11791
weight
0.10000E+01 volume
0.92660E+00 ppm1
7.615
ppm2
0.252

ASSI {11801}

((segid “PROT” and resid 34 and name HN))

(segid “PROT” and resid 102 and name HD1%)

3.700
3.400
1.800 peak
11801
weight
0.10000E+01 volume
0.92480E+00 ppm1
7.614
ppm2
0.725

ASSI {11811}

((segid “PROT” and resid 39 and name HN))

((segid “PROT” and resid 43 and name HN))

3.700
3.400
1.800 peak
11811
weight
0.10000E+01 volume
0.96060E+00 ppm1
9.087
ppm2
7.184

ASSI {11851}

((segid “PROT” and resid 27 and name HN))

((segid “PROT” and resid 25 and name HA))

3.200
2.600
2.300 peak
11851
weight
0.10000E+01 volume
0.21545E+01 ppm1
7.551
ppm2
3.858

ASSI {11941}

((segid “PROT” and resid 34 and name HN))

((segid “PROT” and resid 33 and name HG2))

3.800
3.600
1.700 peak
11941
weight
0.10000E+01 volume
0.80610E+00 ppm1
7.613
ppm2
−0.888

ASSI {11981}

((segid “PROT” and resid 94 and name HN))

((segid “PROT” and resid 93 and name HA))

3.700
3.400
1.800 peak
11981
weight
0.10000E+01 volume
0.93310E+00 ppm1
8.401
ppm2
4.504

ASSI {12011}

((segid “PROT” and resid 94 and name HN))

((segid “PROT” and resid 95 and name HA))

3.300
2.700
2.200 peak
12011
weight
0.10000E+01 volume
0.19064E+01 ppm1
8.402
ppm2
3.667

ASSI {12081}

((segid “PROT” and resid 26 and name HN))

((segid “PROT” and resid 22 and name HA))

3.400
2.900
2.100 peak
12081
weight
0.10000E+01 volume
0.15330E+01 ppm1
8.575
ppm2
4.116

ASSI {12101}

((segid “PROT” and resid 68 and name HN))

((segid “PROT” and resid 63 and name HB1))

3.800
3.600
1.700 peak
12101
weight
0.10000E+01 volume
0.88970E+00 ppm1
8.010
ppm2
2.329

ASSI {12161}

((segid “PROT” and resid 89 and name HN))

((segid “PROT” and resid 85 and name HA))

3.600
3.200
1.900 peak
12161
weight
0.10000E+01 volume
0.10598E+01 ppm1
8.123
ppm2
4.469

ASSI {12201}

((segid “PROT” and resid 108 and name HN))

((segid “PROT” and resid 110 and name HG11))

3.800
3.600
1.700 peak
12201
weight
0.10000E+01 volume
0.82640E+00 ppm1
7.931
ppm2
1.128

ASSI {12221}

((segid “PROT” and resid 49 and name HN))

((segid “PROT” and resid 47 and name HB2))

3.700
3.400
1.800 peak
12221
weight
0.10000E+01 volume
0.10274E+01 ppm1
7.119
ppm2
2.796

ASSI {12231}

((segid “PROT” and resid 49 and name HN))

((segid “PROT” and resid 48 and name HG1))

3.500
3.100
2.000 peak
12231
weight
0.10000E+01 volume
0.12697E+01 ppm1
7.117
ppm2
2.362

ASSI {12241}

((segid “PROT” and resid 49 and name HN))

((segid “PROT” and resid 48 and name HG2))

3.600
3.200
1.900 peak
12241
weight
0.10000E+01 volume
0.11663E+01 ppm1
7.115
ppm2
2.243

ASSI {12251}

((segid “PROT” and resid 49 and name HN))

(segid “PROT” and resid 50 and name HG2%)

3.900
3.800
1.600 peak
12251
weight
0.10000E+01 volume
0.74400E+00 ppm1
7.114
ppm2
0.391

ASSI {12271}

((segid “PROT” and resid 49 and name HN))

((segid “PROT” and resid 47 and name HN))

3.700
3.400
1.800 peak
12271
weight
0.10000E+01 volume
0.10061E+01 ppm1
7.113
ppm2
8.447

ASSI {12281}

((segid “PROT” and resid 83 and name HN))

((segid “PROT” and resid 85 and name HN))

3.700
3.400
1.800 peak
12281
weight
0.10000E+01 volume
0.92080E+00 ppm1
9.095
ppm2
6.900

ASSI {12311}

((segid “PROT” and resid 116 and name HN))

(segid “PROT” and resid 110 and name HD1%)

3.600
3.200
1.900 peak
12311
weight
0.10000E+01 volume
0.11475E+01 ppm1
7.473
ppm2
0.537

ASSI {12421}

((segid “PROT” and resid 75 and name HN))

((segid “PROT” and resid 78 and name HB2))

3.700
3.400
1.800 peak
12421
weight
0.10000E+01 volume
0.10440E+01 ppm1
8.512
ppm2
0.470

ASSI {12431}

((segid “PROT” and resid 60 and name HN))

((segid “PROT” and resid 57 and name HN))

3.800
3.600
1.700 peak
12431
weight
0.10000E+01 volume
0.87300E+00 ppm1
7.958
ppm2
8.813

ASSI {12461}

((segid “PROT” and resid 60 and name HN))

(segid “PROT” and resid 59 and name HE%)

3.700
3.400
1.800 peak
12461
weight
0.10000E+01 volume
0.95910E+00 ppm1
7.969
ppm2
1.273

ASSI {12501}

((segid “PROT” and resid 82 and name HN))

((segid “PROT” and resid 79 and name HN))

3.800
3.600
1.700 peak
12501
weight
0.10000E+01 volume
0.79110E+00 ppm1
6.397
ppm2
8.086

ASSI {12541}

((segid “PROT” and resid 86 and name HN))

((segid “PROT” and resid 85 and name HA))

3.700
3.400
1.800 peak
12541
weight
0.10000E+01 volume
0.10186E+01 ppm1
7.830
ppm2
4.477

ASSI {12551}

((segid “PROT” and resid 86 and name HN))

((segid “PROT” and resid 84 and name HA))

3.400
2.900
2.100 peak
12551
weight
0.10000E+01 volume
0.15928E+01 ppm1
7.829
ppm2
4.336

ASSI {12561}

((segid “PROT” and resid 86 and name HN))

((segid “PROT” and resid 87 and name HB1))

3.700
3.400
1.800 peak
12561
weight
0.10000E+01 volume
0.10415E+01 ppm1
7.830
ppm2
2.209

ASSI {12621}

((segid “PROT” and resid 85 and name HN))

((segid “PROT” and resid 83 and name HA))

3.700
3.400
1.800 peak
12621
weight
0.10000E+01 volume
0.92730E+00 ppm1
6.910
ppm2
3.853

ASSI {12651}

((segid “PROT” and resid 85 and name HN))

((segid “PROT” and resid 86 and name HG1))

3.800
3.600
1.700 peak
12651
weight
0.10000E+01 volume
0.89670E+00 ppm1
6.907
ppm2
1.311

ASSI {12661}

((segid “PROT” and resid 85 and name HN))

((segid “PROT” and resid 86 and name HG2))

3.900
3.800
1.600 peak
12661
weight
0.10000E+01 volume
0.74160E+00 ppm1
6.911
ppm2
0.141

ASSI {12691}

((segid “PROT” and resid 35 and name HN))

((segid “PROT” and resid 34 and name HB1))

3.500
3.100
2.000 peak
12691
weight
0.10000E+01 volume
0.12493E+01 ppm1
7.159
ppm2
3.483

ASSI {12711}

((segid “PROT” and resid 97 and name HN))

((segid “PROT” and resid 93 and name HN))

3.500
3.100
2.000 peak
12711
weight
0.10000E+01 volume
0.13450E+01 ppm1
7.960
ppm2
8.132

ASSI {12871}

((segid “PROT” and resid 55 and name HN))

((segid “PROT” and resid 56 and name HN))

3.700
3.400
1.800 peak
12871
weight
0.10000E+01 volume
0.94890E+00 ppm1
7.380
ppm2
9.125

ASSI {12891}

((segid “PROT” and resid 54 and name HN))

((segid “PROT” and resid 55 and name HB1))

3.900
3.800
1.600 peak
12891
weight
0.10000E+01 volume
0.74390E+00 ppm1
8.519
ppm2
2.386

ASSI {12901}

((segid “PROT” and resid 54 and name HN))

(segid “PROT” and resid 81 and name HG1%)

3.600
3.200
1.900 peak
12901
weight
0.10000E+01 volume
0.10879E+01 ppm1
8.520
ppm2
0.484

ASSI {12911}

((segid “PROT” and resid 89 and name HD21))

((segid “PROT” and resid 89 and name HB1))

3.700
3.400
1.800 peak
12911
weight
0.10000E+01 volume
0.97110E+00 ppm1
8.352
ppm2
3.097

ASSI {12921}

((segid “PROT” and resid 89 and name HD22))

((segid “PROT” and resid 85 and name HB2))

3.700
3.400
1.800 peak
12921
weight
0.10000E+01 volume
0.98340E+00 ppm1
7.822
ppm2
3.091

ASSI {12981}

((segid “PROT” and resid 77 and name HN))

((segid “PROT” and resid 79 and name HN))

2.700
1.800
1.800 peak
12981
weight
0.10000E+01 volume
0.67122E+01 ppm1
7.380
ppm2
8.096

ASSI {13001}

((segid “PROT” and resid 25 and name HN))

((segid “PROT” and resid 26 and name HB1))

3.600
3.200
1.900 peak
13001
weight
0.10000E+01 volume
0.11043E+01 ppm1
8.566
ppm2
1.896

ASSI {13071}

((segid “PROT” and resid 22 and name HN))

((segid “PROT” and resid 20 and name HA))

3.700
3.400
1.800 peak
13071
weight
0.10000E+01 volume
0.96300E+00 ppm1
8.853
ppm2
4.287

ASSI {13091}

((segid “PROT” and resid 22 and name HN))

((segid “PROT” and resid 18 and name HA))

3.700
3.400
1.800 peak
13091
weight
0.10000E+01 volume
0.91100E+00 ppm1
8.855
ppm2
3.287

ASSI {13111}

((segid “PROT” and resid 22 and name HN))

((segid “PROT” and resid 18 and name HB1))

3.700
3.400
1.800 peak
13111
weight
0.10000E+01 volume
0.99160E+00 ppm1
8.855
ppm2
1.541

ASSI {13121}

((segid “PROT” and resid 63 and name HN))

(segid “PROT” and resid 63 and name HD1%)

3.500
3.100
2.000 peak
13121
weight
0.10000E+01 volume
0.13848E+01 ppm1
8.853
ppm2
0.893

ASSI {13131}

((segid “PROT” and resid 22 and name HN))

(segid “PROT” and resid 21 and name HD1%)

3.600
3.200
1.900 peak
13131
weight
0.10000E+01 volume
0.10970E+01 ppm1
8.855
ppm2
0.632

ASSI {13141}

((segid “PROT” and resid 99 and name HN))

((segid “PROT” and resid 89 and name HD21))

3.700
3.400
1.800 peak
13141
weight
0.10000E+01 volume
0.98450E+00 ppm1
8.205
ppm2
8.372

ASSI {13161}

((segid “PROT” and resid 99 and name HN))

((segid “PROT” and resid 96 and name HA))

3.200
2.600
2.300 peak
13161
weight
0.10000E+01 volume
0.21348E+01 ppm1
8.192
ppm2
3.802

ASSI {13201}

((segid “PROT” and resid 62 and name HN))

((segid “PROT” and resid 60 and name HB1))

3.700
3.400
1.800 peak
13201
weight
0.10000E+01 volume
0.10256E+01 ppm1
8.378
ppm2
4.220

ASSI {13221}

((segid “PROT” and resid 64 and name HN))

((segid “PROT” and resid 63 and name HB2))

2.800
2.000
2.000 peak
13221
weight
0.10000E+01 volume
0.54381E+01 ppm1
8.023
ppm2
1.952

ASSI {13231}

((segid “PROT” and resid 84 and name HN))

((segid “PROT” and resid 81 and name HN))

3.800
3.600
1.700 peak
13231
weight
0.10000E+01 volume
0.82060E+00 ppm1
8.891
ppm2
7.048

ASSI {13241}

((segid “PROT” and resid 17 and name HN))

((segid “PROT” and resid 19 and name HN))

3.200
2.600
2.300 peak
13241
weight
0.10000E+01 volume
0.23334E+01 ppm1
8.069
ppm2
8.547

ASSI {13321}

((segid “PROT” and resid 84 and name HN))

((segid “PROT” and resid 87 and name HN))

3.600
3.200
1.900 peak
13321
weight
0.10000E+01 volume
0.11311E+01 ppm1
8.875
ppm2
7.947

ASSI {13331}

((segid “PROT” and resid 84 and name HN))

((segid “PROT” and resid 86 and name HN))

3.600
3.200
1.900 peak
13331
weight
0.10000E+01 volume
0.10625E+01 ppm1
8.875
ppm2
7.838

ASSI {13341}

((segid “PROT” and resid 63 and name HN))

((segid “PROT” and resid 60 and name HA))

3.600
3.200
1.900 peak
13341
weight
0.10000E+01 volume
0.12154E+01 ppm1
8.874
ppm2
4.429

ASSI {13351}

((segid “PROT” and resid 106 and name HN))

((segid “PROT” and resid 107 and name HA))

3.800
3.600
1.700 peak
13351
weight
0.10000E+01 volume
0.83500E+00 ppm1
9.148
ppm2
3.844

ASSI {13361}

((segid “PROT” and resid 84 and name HN))

((segid “PROT” and resid 80 and name HD2))

3.800
3.600
1.700 peak
13361
weight
0.10000E+01 volume
0.82650E+00 ppm1
8.876
ppm2
3.295

ASSI {13421}

((segid “PROT” and resid 9 and name HN))

((segid “PROT” and resid 9 and name HD1))

3.700
3.400
1.800 peak
13421
weight
0.10000E+01 volume
0.90930E+00 ppm1
8.449
ppm2
3.211

ASSI {13431}

((segid “PROT” and resid 112 and name HN))

((segid “PROT” and resid 111 and name HG2))

3.200
2.600
2.300 peak
13431
weight
0.10000E+01 volume
0.24687E+01 ppm1
8.062
ppm2
1.315

ASSI {13471}

((segid “PROT” and resid 43 and name HN))

((segid “PROT” and resid 42 and name HG1))

3.700
3.400
1.800 peak
13471
weight
0.10000E+01 volume
0.10242E+01 ppm1
7.179
ppm2
2.353

ASSI {13481}

((segid “PROT” and resid 58 and name HN))

((segid “PROT” and resid 56 and name HN))

3.700
3.400
1.800 peak
13481
weight
0.10000E+01 volume
0.91120E+00 ppm1
9.443
ppm2
9.140

ASSI {13521}

((segid “PROT” and resid 10 and name HN))

((segid “PROT” and resid 13 and name HG1))

3.900
3.800
1.600 peak
13521
weight
0.10000E+01 volume
0.74580E+00 ppm1
8.303
ppm2
2.503

ASSI {13531}

((segid “PROT” and resid 111 and name HN))

((segid “PROT” and resid 115 and name HN))

3.700
3.400
1.800 peak
13531
weight
0.10000E+01 volume
0.93850E+00 ppm1
7.571
ppm2
7.746

ASSI {13561}

((segid “PROT” and resid 102 and name HN))

((segid “PROT” and resid 99 and name HN))

3.900
3.800
1.600 peak
13561
weight
0.10000E+01 volume
0.72150E+00 ppm1
8.518
ppm2
8.184

ASSI {13571}

((segid “PROT” and resid 46 and name HN))

(segid “PROT” and resid 38 and name HG2%)

3.700
3.400
1.800 peak
13571
weight
0.10000E+01 volume
0.94700E+00 ppm1
8.040
ppm2
−0.024

ASSI {13591}

((segid “PROT” and resid 50 and name HN))

((segid “PROT” and resid 51 and name HA))

3.500
3.100
2.000 peak
13591
weight
0.10000E+01 volume
0.12928E+01 ppm1
7.959
ppm2
3.841

ASSI {13611}

((segid “PROT” and resid 117 and name HN))

((segid “PROT” and resid 115 and name HB2))

3.900
3.800
1.600 peak
13611
weight
0.10000E+01 volume
0.70970E+00 ppm1
8.278
ppm2
1.577

ASSI {13621}

((segid “PROT” and resid 117 and name HN))

((segid “PROT” and resid 116 and name HG12))

3.800
3.600
1.700 peak
13621
weight
0.10000E+01 volume
0.85950E+00 ppm1
8.280
ppm2
0.920

ASSI {13641}

((segid “PROT” and resid 61 and name HN))

((segid “PROT” and resid 59 and name HN))

3.300
2.700
2.200 peak
13641
weight
0.10000E+01 volume
0.20489E+01 ppm1
8.162
ppm2
7.895

ASSI {13681}

((segid “PROT” and resid 28 and name HN))

((segid “PROT” and resid 25 and name HB))

3.700
3.400
1.800 peak
13681
weight
0.10000E+01 volume
0.10506E+01 ppm1
7.558
ppm2
2.429

ASSI {13691}

((segid “PROT” and resid 32 and name HN))

((segid “PROT” and resid 35 and name HG1))

3.800
3.600
1.700 peak
13691
weight
0.10000E+01 volume
0.85360E+00 ppm1
7.100
ppm2
2.876

ASSI {13711}

((segid “PROT” and resid 31 and name HN))

((segid “PROT” and resid 29 and name HB1))

3.200
2.600
2.300 peak
13711
weight
0.10000E+01 volume
0.22241E+01 ppm1
7.910
ppm2
2.114

ASSI {13741}

((segid “PROT” and resid 28 and name HN))

(segid “PROT” and resid 25 and name HG2%)

3.700
3.400
1.800 peak
13741
weight
0.10000E+01 volume
0.90760E+00 ppm1
7.559
ppm2
1.032

ASSI {13761}

((segid “PROT” and resid 88 and name HN))

(segid “PROT” and resid 88 and name HD%)

3.400
2.900
2.100 peak
13761
weight
0.10000E+01 volume
0.15402E+01 ppm1
7.948
ppm2
6.929

ASSI {13781}

((segid “PROT” and resid 57 and name HN))

((segid “PROT” and resid 34 and name HA))

3.700
3.400
1.800 peak
13781
weight
0.10000E+01 volume
0.96800E+00 ppm1
8.797
ppm2
4.985

ASSI {13821}

((segid “PROT” and resid 21 and name HN))

((segid “PROT” and resid 19 and name HA))

3.500
3.100
2.000 peak
13821
weight
0.10000E+01 volume
0.12899E+01 ppm1
7.922
ppm2
3.666

ASSI {13831}

((segid “PROT” and resid 72 and name HN))

((segid “PROT” and resid 75 and name HB1))

3.400
2.900
2.100 peak
13831
weight
0.10000E+01 volume
0.15591E+01 ppm1
8.194
ppm2
2.939

ASSI {13841}

((segid “PROT” and resid 12 and name HN))

((segid “PROT” and resid 13 and name HA))

3.600
3.200
1.900 peak
13841
weight
0.10000E+01 volume
0.10753E+01 ppm1
8.426
ppm2
4.193

ASSI {13871}

((segid “PROT” and resid 77 and name HN))

((segid “PROT” and resid 80 and name HB1))

3.400
2.900
2.100 peak
13871
weight
0.10000E+01 volume
0.15887E+01 ppm1
7.383
ppm2
1.979

ASSI {13891}

((segid “PROT” and resid 73 and name HN))

((segid “PROT” and resid 76 and name HN))

3.400
2.900
2.100 peak
13891
weight
0.10000E+01 volume
0.17531E+01 ppm1
7.440
ppm2
8.021

ASSI {13921}

((segid “PROT” and resid 59 and name HN))

((segid “PROT” and resid 56 and name HB2))

3.800
3.600
1.700 peak
13921
weight
0.10000E+01 volume
0.89130E+00 ppm1
7.889
ppm2
1.399

ASSI {13951}

((segid “PROT” and resid 35 and name HN))

((segid “PROT” and resid 36 and name HA))

3.900
3.800
1.600 peak
13951
weight
0.10000E+01 volume
0.71570E+00 ppm1
7.154
ppm2
4.859

ASSI {14001}

((segid “PROT” and resid 67 and name HN))

(segid “PROT” and resid 67 and name HD%)

3.700
3.400
1.800 peak
14001
weight
0.10000E+01 volume
0.10122E+01 ppm1
8.239
ppm2
6.300

ASSI {14021}

((segid “PROT” and resid 92 and name HN))

((segid “PROT” and resid 92 and name HG2))

3.700
3.400
1.800 peak
14021
weight
0.10000E+01 volume
0.10336E+01 ppm1
8.477
ppm2
2.297

ASSI {2211}

((segid “PROT” and resid 105 and name HN))

(segid “PROT” and resid 101 and name HG2%)

3.400
2.900
2.100 peak
2211
weight
0.10000E+01 volume
0.15190E+01 ppm1
7.908
ppm2
1.015

ASSI {2921}

((segid “PROT” and resid 18 and name HN))

(segid “PROT” and resid 63 and name HD2%)

3.400
2.900
2.100 peak
2921
weight
0.10000E+01 volume
0.17279E+01 ppm1
8.475
ppm2
1.048

ASSI {3251}

((segid “PROT” and resid 17 and name HN))

(segid “PROT” and resid 14 and name HD2%)

3.400
2.900
2.100 peak
3251
weight
0.10000E+01 volume
0.16389E+01 ppm1
8.071
ppm2
0.805

OR {3251}

((segid “PROT” and resid 17 and name HN))

(segid “PROT” and resid 14 and name HD1%)

ASSI {3281}

((segid “PROT” and resid 21 and name HN))

((segid “PROT” and resid 24 and name HE21))

3.500
3.100
2.000 peak
3281
weight
0.10000E+01 volume
0.14220E+01 ppm1
7.929
ppm2
7.046

ASSI {3311}

((segid “PROT” and resid 21 and name HN))

(segid “PROT” and resid 17 and name HG2%)

3.200
2.600
2.300 peak
3311
weight
0.10000E+01 volume
0.21566E+01 ppm1
7.925
ppm2
1.144

ASSI {3481}

((segid “PROT” and resid 64 and name HN))

((segid “PROT” and resid 61 and name HB1))

3.100
2.400
2.400 peak
3481
weight
0.10000E+01 volume
0.25719E+01 ppm1
8.025
ppm2
2.212

OR {3481}

((segid “PROT” and resid 64 and name HN))

((segid “PROT” and resid 61 and name HG2))

ASSI {4021}

((segid “PROT” and resid 101 and name HN))

(segid “PROT” and resid 99 and name HB%)

3.000
2.200
2.200 peak
4021
weight
0.10000E+01 volume
0.33742E+01 ppm1
8.016
ppm2
1.608

ASSI {4281}

((segid “PROT” and resid 101 and name HN))

((segid “PROT” and resid 102 and name HB1))

3.100
2.400
2.400 peak
4281
weight
0.10000E+01 volume
0.30641E+01 ppm1
8.020
ppm2
1.423

ASSI {4481}

((segid “PROT” and resid 96 and name HN))

((segid “PROT” and resid 90 and name HD2))

3.100
2.400
2.400 peak
4481
weight
0.10000E+01 volume
0.28902E+01 ppm1
7.380
ppm2
3.918

ASSI {4671}

((segid “PROT” and resid 30 and name HN))

(segid “PROT” and resid 102 and name HD1%)

3.400
2.900
2.100 peak
4671
weight
0.10000E+01 volume
0.15055E+01 ppm1
11.693
ppm2
0.737

OR {4671}

((segid “PROT” and resid 30 and name HN))

(segid “PROT” and resid 102 and name HD2%)

ASSI {5721}

((segid “PROT” and resid 107 and name HN))

((segid “PROT” and resid 24 and name HE21))

3.200
2.600
2.300 peak
5721
weight
0.10000E+01 volume
0.22871E+01 ppm1
8.402
ppm2
7.065

ASSI {6921}

((segid “PROT” and resid 85 and name HN))

((segid “PROT” and resid 86 and name HB1))

3.500
3.100
2.000 peak
6921
weight
0.10000E+01 volume
0.12926E+01 ppm1
6.894
ppm2
1.777

ASSI {7091}

((segid “PROT” and resid 85 and name HN))

(segid “PROT” and resid 99 and name HB%)

3.400
2.900
2.100 peak
7091
weight
0.10000E+01 volume
0.15606E+01 ppm1
6.912
ppm2
1.640

ASSI {7131}

((segid “PROT” and resid 23 and name HN))

(segid “PROT” and resid 25 and name HG1%)

3.600
3.200
1.900 peak
7131
weight
0.10000E+01 volume
0.11801E+01 ppm1
8.589
ppm2
1.237

ASSI {7561}

((segid “PROT” and resid 82 and name HN))

((segid “PROT” and resid 80 and name HB2))

3.600
3.200
1.900 peak
7561
weight
0.10000E+01 volume
0.12116E+01 ppm1
6.400
ppm2
1.912

ASSI {7821}

((segid “PROT” and resid 98 and name HN))

((segid “PROT” and resid 34 and name HZ))

3.500
3.100
2.000 peak
7821
weight
0.10000E+01 volume
0.13298E+01 ppm1
8.471
ppm2
7.275

ASSI {8461}

((segid “PROT” and resid 75 and name HN))

(segid “PROT” and resid 76 and name HB%)

3.200
2.600
2.300 peak
8461
weight
0.10000E+01 volume
0.21341E+01 ppm1
8.505
ppm2
1.518

ASSI {9801}

((segid “PROT” and resid 68 and name HN))

((segid “PROT” and resid 65 and name HB2))

3.400
2.900
2.100 peak
9801
weight
0.10000E+01 volume
0.17553E+01 ppm1
7.992
ppm2
2.790

ASSI {10381}

((segid “PROT” and resid 20 and name HN))

(segid “PROT” and resid 63 and name HD1%)

3.400
2.900
2.100 peak
10381
weight
0.10000E+01 volume
0.17105E+01 ppm1
7.544
ppm2
0.890

ASSI {10511}

((segid “PROT” and resid 34 and name HN))

(segid “PROT” and resid 56 and name HD1%)

3.100
2.400
2.400 peak
10511
weight
0.10000E+01 volume
0.26440E+01 ppm1
7.610
ppm2
0.954

ASSI {11201}

((segid “PROT” and resid 79 and name HE21))

((segid “PROT” and resid 79 and name HB2))

3.500
3.100
2.000 peak
11201
weight
0.10000E+01 volume
0.12542E+01 ppm1
7.314
ppm2
2.072

ASSI {11281}

((segid “PROT” and resid 27 and name HN))

((segid “PROT” and resid 24 and name HB1))

3.600
3.200
1.900 peak
11281
weight
0.10000E+01 volume
0.11570E+01 ppm1
7.551
ppm2
2.509

OR {11281}

((segid “PROT” and resid 27 and name HN))

((segid “PROT” and resid 24 and name HG2))

ASSI {11521}

((segid “PROT” and resid 31 and name HN))

((segid “PROT” and resid 31 and name HA))

3.400
2.900
2.100 peak
11521
weight
0.10000E+01 volume
0.15623E+01 ppm1
7.904
ppm2
4.412

ASSI {11891}

((segid “PROT” and resid 70 and name HN))

(segid “PROT” and resid 18 and name HD1%)

3.400
2.900
2.100 peak
11891
weight
0.10000E+01 volume
0.16604E+01 ppm1
7.447
ppm2
0.738

ASSI {11961}

((segid “PROT” and resid 20 and name HN))

((segid “PROT” and resid 22 and name HB1))

3.800
3.600
1.700 peak
11961
weight
0.10000E+01 volume
0.79920E+00 ppm1
7.546
ppm2
2.090

ASSI {11971}

((segid “PROT” and resid 94 and name HN))

((segid “PROT” and resid 90 and name HA))

3.700
3.400
1.800 peak
11971
weight
0.10000E+01 volume
0.96270E+00 ppm1
8.401
ppm2
4.644

ASSI {12001}

((segid “PROT” and resid 94 and name HN))

((segid “PROT” and resid 90 and name HD1))

3.600
3.200
1.900 peak
12001
weight
0.10000E+01 volume
0.11885E+01 ppm1
8.401
ppm2
4.108

ASSI {12051}

((segid “PROT” and resid 79 and name HN))

((segid “PROT” and resid 75 and name HB1))

3.700
3.400
1.800 peak
12051
weight
0.10000E+01 volume
0.92950E+00 ppm1
8.100
ppm2
2.912

ASSI {12061}

((segid “PROT” and resid 79 and name HN))

(segid “PROT” and resid 78 and name HD2%)

3.700
3.400
1.800 peak
12061
weight
0.10000E+01 volume
0.93350E+00 ppm1
8.101
ppm2
0.165

ASSI {12141}

((segid “PROT” and resid 89 and name HN))

(segid “PROT” and resid 96 and name HD%)

3.700
3.400
1.800 peak
12141
weight
0.10000E+01 volume
0.10188E+01 ppm1
8.115
ppm2
7.097

ASSI {12151}

((segid “PROT” and resid 89 and name HN))

(segid “PROT” and resid 95 and name HD%)

3.800
3.600
1.700 peak
12151
weight
0.10000E+01 volume
0.83030E+00 ppm1
8.117
ppm2
6.849

ASSI {12181}

((segid “PROT” and resid 89 and name HN))

((segid “PROT” and resid 90 and name HD1))

3.800
3.600
1.700 peak
12181
weight
0.10000E+01 volume
0.78650E+00 ppm1
8.115
ppm2
4.076

ASSI {12301}

((segid “PROT” and resid 116 and name HN))

((segid “PROT” and resid 112 and name HN))

3.700
3.400
1.800 peak
12301
weight
0.10000E+01 volume
0.10505E+01 ppm1
7.480
ppm2
8.064

ASSI {12341}

((segid “PROT” and resid 69 and name HN))

(segid “PROT” and resid 68 and name HD%)

3.700
3.400
1.800 peak
12341
weight
0.10000E+01 volume
0.10495E+01 ppm1
7.708
ppm2
7.143

ASSI {12391}

((segid “PROT” and resid 56 and name HN))

((segid “PROT” and resid 34 and name HB2))

3.700
3.400
1.800 peak
12391
weight
0.10000E+01 volume
0.10296E+01 ppm1
9.134
ppm2
2.567

ASSI {12471}

((segid “PROT” and resid 32 and name HN))

((segid “PROT” and resid 32 and name HE3))

3.700
3.400
1.800 peak
12471
weight
0.10000E+01 volume
0.94240E+00 ppm1
7.098
ppm2
7.314

ASSI {12481}

((segid “PROT” and resid 32 and name HN))

((segid “PROT” and resid 34 and name HB2))

3.700
3.400
1.800 peak
12481
weight
0.10000E+01 volume
0.97880E+00 ppm1
7.103
ppm2
2.572

ASSI {12511}

((segid “PROT” and resid 82 and name HN))

((segid “PROT” and resid 84 and name HB2))

3.900
3.800
1.600 peak
12511
weight
0.10000E+01 volume
0.71250E+00 ppm1
6.400
ppm2
2.689

ASSI {12581}

((segid “PROT” and resid 86 and name HN))

((segid “PROT” and resid 87 and name HB2))

3.700
3.400
1.800 peak
12581
weight
0.10000E+01 volume
0.93270E+00 ppm1
7.832
ppm2
2.045

ASSI {12601}

((segid “PROT” and resid 23 and name HN))

((segid “PROT” and resid 19 and name HB2))

3.700
3.400
1.800 peak
12601
weight
0.10000E+01 volume
0.90500E+00 ppm1
8.583
ppm2
1.394

ASSI {12631}

((segid “PROT” and resid 85 and name HN))

((segid “PROT” and resid 87 and name HB1))

3.700
3.400
1.800 peak
12631
weight
0.10000E+01 volume
0.90190E+00 ppm1
6.908
ppm2
2.174

ASSI {12681}

((segid “PROT” and resid 81 and name HN))

((segid “PROT” and resid 85 and name HN))

3.500
3.100
2.000 peak
12681
weight
0.10000E+01 volume
0.13641E+01 ppm1
7.032
ppm2
6.863

ASSI {12721}

((segid “PROT” and resid 97 and name HN))

(segid “PROT” and resid 96 and name HD%)

3.600
3.200
1.900 peak
12721
weight
0.10000E+01 volume
0.11781E+01 ppm1
7.964
ppm2
7.096

ASSI {12751}

((segid “PROT” and resid 107 and name HN))

((segid “PROT” and resid 108 and name HA))

3.700
3.400
1.800 peak
12751
weight
0.10000E+01 volume
0.93010E+00 ppm1
8.399
ppm2
4.217

ASSI {12801}

((segid “PROT” and resid 74 and name HN))

((segid “PROT” and resid 75 and name HG2))

3.600
3.200
1.900 peak
12801
weight
0.10000E+01 volume
0.10996E+01 ppm1
6.922
ppm2
2.202

ASSI {12811}

((segid “PROT” and resid 74 and name HN))

(segid “PROT” and resid 76 and name HB%)

3.700
3.400
1.800 peak
12811
weight
0.10000E+01 volume
0.93300E+00 ppm1
6.922
ppm2
1.505

ASSI {12831}

((segid “PROT” and resid 30 and name HN))

((segid “PROT” and resid 32 and name HE3))

3.800
3.600
1.700 peak
12831
weight
0.10000E+01 volume
0.82040E+00 ppm1
11.693
ppm2
7.371

ASSI {12841}

((segid “PROT” and resid 30 and name HN))

((segid “PROT” and resid 101 and name HB))

3.800
3.600
1.700 peak
12841
weight
0.10000E+01 volume
0.82760E+00 ppm1
11.697
ppm2
1.892

ASSI {12991}

((segid “PROT” and resid 96 and name HN))

((segid “PROT” and resid 89 and name HA))

3.900
3.800
1.600 peak
12991
weight
0.10000E+01 volume
0.74480E+00 ppm1
7.378
ppm2
5.068

ASSI {13051}

((segid “PROT” and resid 22 and name HN))

((segid “PROT” and resid 24 and name HE21))

3.400
2.900
2.100 peak
13051
weight
0.10000E+01 volume
0.17366E+01 ppm1
8.852
ppm2
7.062

ASSI {13261}

((segid “PROT” and resid 17 and name HN))

(segid “PROT” and resid 18 and name HD2%)

3.800
3.600
1.700 peak
13261
weight
0.10000E+01 volume
0.84610E+00 ppm1
8.070
ppm2
−0.192

ASSI {13301}

((segid “PROT” and resid 21 and name HN))

((segid “PROT” and resid 22 and name HB1))

3.200
2.600
2.300 peak
13301
weight
0.10000E+01 volume
0.21404E+01 ppm1
7.927
ppm2
2.069

ASSI {13401}

((segid “PROT” and resid 21 and name HN))

((segid “PROT” and resid 24 and name HG1))

3.800
3.600
1.700 peak
13401
weight
0.10000E+01 volume
0.89640E+00 ppm1
7.957
ppm2
2.829

ASSI {13511}

((segid “PROT” and resid 58 and name HN))

((segid “PROT” and resid 61 and name HG2))

2.900
2.100
2.100 peak
13511
weight
0.10000E+01 volume
0.44447E+01 ppm1
9.443
ppm2
2.259

OR {13511}

((segid “PROT” and resid 58 and name HN))

((segid “PROT” and resid 61 and name HB1))

ASSI {13791}

((segid “PROT” and resid 50 and name HN))

((segid “PROT” and resid 87 and name HB2))

3.800
3.600
1.700 peak
13791
weight
0.10000E+01 volume
0.77760E+00 ppm1
7.960
ppm2
2.038

ASSI {13931}

((segid “PROT” and resid 115 and name HN))

((segid “PROT” and resid 111 and name HG2))

3.500
3.100
2.000 peak
13931
weight
0.10000E+01 volume
0.12820E+01 ppm1
7.749
ppm2
1.285

ASSI {14011}

((segid “PROT” and resid 52 and name HN))

(segid “PROT” and resid 50 and name HD1%)

3.600
3.200
1.900 peak
14011
weight
0.10000E+01 volume
0.12035E+01 ppm1
8.422
ppm2
0.549

ASSI {14041}

((segid “PROT” and resid 99 and name HN))

(segid “PROT” and resid 34 and name HE%)

3.500
3.100
2.000 peak
14041
weight
0.10000E+01 volume
0.14222E+01 ppm1
8.189
ppm2
7.221

ASSI {12}

((segid “PROT” and resid 17 and name HA))

((segid “PROT” and resid 17 and name HB))

2.300
1.300
1.300 peak
12
weight
0.10000E+01 volume
0.64338E+01 ppm1
3.970
ppm2
4.285

ASSI {42}

(segid “PROT” and resid 14 and name HD2%)

((segid “PROT” and resid 17 and name HB))

2.800
2.000
2.000 peak
42
weight
0.10000E+01 volume
0.23074E+01 ppm1
0.832
ppm2
4.289

ASSI {72}

((segid “PROT” and resid 58 and name HA))

((segid “PROT” and resid 58 and name HB))

2.300
1.300
1.300 peak
72
weight
0.10000E+01 volume
0.68641E+01 ppm1
3.881
ppm2
4.117

ASSI {92}

((segid “PROT” and resid 25 and name HB))

((segid “PROT” and resid 25 and name HA))

2.700
1.800
1.800 peak
92
weight
0.10000E+01 volume
0.23933E+01 ppm1
2.440
ppm2
3.873

ASSI {102}

(segid “PROT” and resid 58 and name HG2%)

((segid “PROT” and resid 58 and name HA))

2.200
1.200
1.200 peak
102
weight
0.10000E+01 volume
0.90603E+01 ppm1
1.092
ppm2
3.879

ASSI {122}

((segid “PROT” and resid 20 and name HB1))

((segid “PROT” and resid 17 and name HA))

2.400
1.400
1.400 peak
122
weight
0.10000E+01 volume
0.59096E+01 ppm1
4.103
ppm2
3.964

ASSI {132}

((segid “PROT” and resid 61 and name HG2))

((segid “PROT” and resid 58 and name HA))

2.800
2.000
2.000 peak
132
weight
0.10000E+01 volume
0.23380E+01 ppm1
2.261
ppm2
3.883

ASSI {142}

(segid “PROT” and resid 17 and name HG2%)

((segid “PROT” and resid 17 and name HA))

2.100
1.100
1.100 peak
142
weight
0.10000E+01 volume
0.10421E+02 ppm1
1.179
ppm2
3.970

ASSI {172}

((segid “PROT” and resid 83 and name HB))

((segid “PROT” and resid 83 and name HA))

2.200
1.200
1.200 peak
172
weight
0.10000E+01 volume
0.96793E+01 ppm1
4.238
ppm2
3.876

ASSI {182}

((segid “PROT” and resid 86 and name HB1))

((segid “PROT” and resid 83 and name HA))

2.800
2.000
2.000 peak
182
weight
0.10000E+01 volume
0.23242E+01 ppm1
1.777
ppm2
3.898

ASSI {232}

((segid “PROT” and resid 70 and name HA))

((segid “PROT” and resid 70 and name HB1))

2.300
1.300
1.300 peak
232
weight
0.10000E+01 volume
0.74409E+01 ppm1
4.807
ppm2
4.232

ASSI {242}

((segid “PROT” and resid 70 and name HA))

((segid “PROT” and resid 70 and name HB2))

2.400
1.400
1.400 peak
242
weight
0.10000E+01 volume
0.57670E+01 ppm1
4.803
ppm2
3.793

ASSI {252}

((segid “PROT” and resid 70 and name HB1))

((segid “PROT” and resid 70 and name HB2))

1.800
0.800
0.800 peak
252
weight
0.10000E+01 volume
0.26334E+02 ppm1
4.233
ppm2
3.789

ASSI {272}

(segid “PROT” and resid 69 and name HG2%)

((segid “PROT” and resid 70 and name HB2))

2.700
1.800
1.800 peak
272
weight
0.10000E+01 volume
0.27129E+01 ppm1
0.861
ppm2
3.787

ASSI {292}

((segid “PROT” and resid 30 and name HB1))

((segid “PROT” and resid 98 and name HA))

2.800
2.000
2.000 peak
292
weight
0.10000E+01 volume
0.21823E+01 ppm1
4.352
ppm2
4.223

ASSI {302}

((segid “PROT” and resid 98 and name HB1))

((segid “PROT” and resid 98 and name HA))

2.700
1.800
1.800 peak
302
weight
0.10000E+01 volume
0.24715E+01 ppm1
3.396
ppm2
4.223

ASSI {342}

((segid “PROT” and resid 11 and name HB1))

((segid “PROT” and resid 11 and name HA))

2.200
1.200
1.200 peak
342
weight
0.10000E+01 volume
0.86937E+01 ppm1
2.382
ppm2
4.376

ASSI {362}

((segid “PROT” and resid 101 and name HB))

((segid “PROT” and resid 101 and name HA))

2.400
1.400
1.400 peak
362
weight
0.10000E+01 volume
0.53397E+01 ppm1
1.953
ppm2
3.694

ASSI {372}

((segid “PROT” and resid 101 and name HG11))

((segid “PROT” and resid 101 and name HA))

2.400
1.400
1.400 peak
372
weight
0.10000E+01 volume
0.50966E+01 ppm1
1.902
ppm2
3.693

ASSI {382}

((segid “PROT” and resid 14 and name HB1))

((segid “PROT” and resid 11 and name HA))

2.800
2.000
2.000 peak
382
weight
0.10000E+01 volume
0.20827E+01 ppm1
1.895
ppm2
4.377

ASSI {392}

((segid “PROT” and resid 101 and name HG12))

((segid “PROT” and resid 101 and name HA))

2.400
1.400
1.400 peak
392
weight
0.10000E+01 volume
0.47337E+01 ppm1
1.240
ppm2
3.693

ASSI {402}

(segid “PROT” and resid 101 and name HG2%)

((segid “PROT” and resid 101 and name HA))

2.200
1.200
1.200 peak
402
weight
0.10000E+01 volume
0.91301E+01 ppm1
1.026
ppm2
3.696

ASSI {422}

((segid “PROT” and resid 33 and name HB2))

((segid “PROT” and resid 33 and name HA))

2.900
2.100
2.100 peak
422
weight
0.10000E+01 volume
0.17116E+01 ppm1
−0.429
ppm2
3.992

ASSI {432}

((segid “PROT” and resid 44 and name HB2))

((segid “PROT” and resid 44 and name HA))

2.600
1.700
1.700 peak
432
weight
0.10000E+01 volume
0.33766E+01 ppm1
2.059
ppm2
4.551

ASSI {442}

((segid “PROT” and resid 110 and name HB))

((segid “PROT” and resid 110 and name HA))

2.300
1.300
1.300 peak
442
weight
0.10000E+01 volume
0.67160E+01 ppm1
1.794
ppm2
3.855

ASSI {452}

((segid “PROT” and resid 115 and name HB2))

((segid “PROT” and resid 110 and name HA))

2.700
1.800
1.800 peak
452
weight
0.10000E+01 volume
0.27910E+01 ppm1
1.609
ppm2
3.856

ASSI {462}

(segid “PROT” and resid 113 and name HB%)

((segid “PROT” and resid 110 and name HA))

2.300
1.300
1.300 peak
462
weight
0.10000E+01 volume
0.65923E+01 ppm1
1.410
ppm2
3.857

ASSI {472}

(segid “PROT” and resid 17 and name HG2%)

((segid “PROT” and resid 110 and name HA))

2.900
2.100
2.100 peak
472
weight
0.10000E+01 volume
0.18150E+01 ppm1
1.168
ppm2
3.856

ASSI {492}

(segid “PROT” and resid 110 and name HD1%)

((segid “PROT” and resid 110 and name HA))

2.500
1.600
1.600 peak
492
weight
0.10000E+01 volume
0.43046E+01 ppm1
0.568
ppm2
3.857

ASSI {502}

((segid “PROT” and resid 27 and name HA))

((segid “PROT” and resid 27 and name HB1))

2.100
1.100
1.100 peak
502
weight
0.10000E+01 volume
0.13211E+02 ppm1
4.487
ppm2
4.051

ASSI {522}

((segid “PROT” and resid 5 and name HA))

((segid “PROT” and resid 5 and name HB2))

2.200
1.200
1.200 peak
522
weight
0.10000E+01 volume
0.86878E+01 ppm1
4.471
ppm2
3.905

ASSI {542}

((segid “PROT” and resid 38 and name HB))

((segid “PROT” and resid 38 and name HA))

2.700
1.800
1.800 peak
542
weight
0.10000E+01 volume
0.26095E+01 ppm1
1.072
ppm2
3.492

ASSI {552}

(segid “PROT” and resid 38 and name HG1%)

((segid “PROT” and resid 38 and name HA))

2.100
1.100
1.100 peak
552
weight
0.10000E+01 volume
0.10687E+02 ppm1
0.496
ppm2
3.493

ASSI {572}

((segid “PROT” and resid 30 and name HA))

((segid “PROT” and resid 30 and name HB2))

2.900
2.100
2.100 peak
572
weight
0.10000E+01 volume
0.17806E+01 ppm1
4.854
ppm2
3.992

ASSI {582}

((segid “PROT” and resid 30 and name HB2))

((segid “PROT” and resid 30 and name HB1))

2.300
1.300
1.300 peak
582
weight
0.10000E+01 volume
0.65273E+01 ppm1
3.978
ppm2
4.346

ASSI {632}

((segid “PROT” and resid 37 and name HB1))

((segid “PROT” and resid 37 and name HA))

2.200
1.200
1.200 peak
632
weight
0.10000E+01 volume
0.90616E+01 ppm1
2.379
ppm2
4.272

ASSI {642}

((segid “PROT” and resid 8 and name HB1))

((segid “PROT” and resid 8 and name HA))

2.300
1.300
1.300 peak
642
weight
0.10000E+01 volume
0.70364E+01 ppm1
2.293
ppm2
4.460

ASSI {662}

((segid “PROT” and resid 37 and name HG1))

((segid “PROT” and resid 37 and name HA))

2.800
2.000
2.000 peak
662
weight
0.10000E+01 volume
0.21062E+01 ppm1
2.184
ppm2
4.272

ASSI {682}

((segid “PROT” and resid 49 and name HB))

((segid “PROT” and resid 49 and name HA))

2.300
1.300
1.300 peak
682
weight
0.10000E+01 volume
0.72941E+01 ppm1
1.931
ppm2
4.111

ASSI {702}

((segid “PROT” and resid 37 and name HB2))

((segid “PROT” and resid 37 and name HA))

2.600
1.700
1.700 peak
702
weight
0.10000E+01 volume
0.31708E+01 ppm1
1.702
ppm2
4.271

ASSI {712}

(segid “PROT” and resid 49 and name HG2%)

((segid “PROT” and resid 49 and name HA))

2.300
1.300
1.300 peak
712
weight
0.10000E+01 volume
0.71135E+01 ppm1
0.908
ppm2
4.109

ASSI {742}

((segid “PROT” and resid 60 and name HA))

((segid “PROT” and resid 60 and name HB1))

2.500
1.600
1.600 peak
742
weight
0.10000E+01 volume
0.38154E+01 ppm1
4.444
ppm2
4.248

ASSI {752}

((segid “PROT” and resid 60 and name HA))

((segid “PROT” and resid 60 and name HB2))

2.100
1.100
1.100 peak
752
weight
0.10000E+01 volume
0.11798E+02 ppm1
4.442
ppm2
4.065

ASSI {762}

((segid “PROT” and resid 41 and name HB))

((segid “PROT” and resid 41 and name HA))

1.800
0.800
0.800 peak
762
weight
0.10000E+01 volume
0.34478E+02 ppm1
4.331
ppm2
4.095

ASSI {772}

((segid “PROT” and resid 46 and name HB1))

((segid “PROT” and resid 46 and name HA))

2.700
1.800
1.800 peak
772
weight
0.10000E+01 volume
0.24573E+01 ppm1
2.762
ppm2
3.505

ASSI {782}

((segid “PROT” and resid 46 and name HB2))

((segid “PROT” and resid 46 and name HA))

2.900
2.100
2.100 peak
782
weight
0.10000E+01 volume
0.16661E+01 ppm1
2.431
ppm2
3.504

ASSI {842}

(segid “PROT” and resid 15 and name HD%)

((segid “PROT” and resid 15 and name HA))

2.800
2.000
2.000 peak
842
weight
0.10000E+01 volume
0.20619E+01 ppm1
7.104
ppm2
4.049

ASSI {852}

((segid “PROT” and resid 15 and name HB1))

((segid “PROT” and resid 15 and name HA))

2.500
1.600
1.600 peak
852
weight
0.10000E+01 volume
0.46305E+01 ppm1
3.250
ppm2
4.046

ASSI {862}

((segid “PROT” and resid 15 and name HB2))

((segid “PROT” and resid 15 and name HA))

2.600
1.700
1.700 peak
862
weight
0.10000E+01 volume
0.35482E+01 ppm1
3.085
ppm2
4.045

ASSI {912}

(segid “PROT” and resid 69 and name HG2%)

((segid “PROT” and resid 69 and name HA))

2.300
1.300
1.300 peak
912
weight
0.10000E+01 volume
0.63782E+01 ppm1
0.861
ppm2
4.123

ASSI {932}

((segid “PROT” and resid 85 and name HB2))

((segid “PROT” and resid 85 and name HA))

2.800
2.000
2.000 peak
932
weight
0.10000E+01 volume
0.20935E+01 ppm1
3.093
ppm2
4.513

ASSI {942}

(segid “PROT” and resid 107 and name HD%)

((segid “PROT” and resid 107 and name HA))

2.700
1.800
1.800 peak
942
weight
0.10000E+01 volume
0.28373E+01 ppm1
7.242
ppm2
3.855

ASSI {952}

((segid “PROT” and resid 108 and name HB1))

((segid “PROT” and resid 105 and name HA))

2.500
1.600
1.600 peak
952
weight
0.10000E+01 volume
0.41582E+01 ppm1
4.018
ppm2
4.352

ASSI {962}

((segid “PROT” and resid 108 and name HB1))

((segid “PROT” and resid 108 and name HA))

2.000
1.000
1.000 peak
962
weight
0.10000E+01 volume
0.16845E+02 ppm1
4.017
ppm2
4.236

ASSI {972}

((segid “PROT” and resid 96 and name HB1))

((segid “PROT” and resid 96 and name HA))

2.700
1.800
1.800 peak
972
weight
0.10000E+01 volume
0.28585E+01 ppm1
3.420
ppm2
3.825

ASSI {982}

((segid “PROT” and resid 107 and name HB1))

((segid “PROT” and resid 107 and name HA))

2.200
1.200
1.200 peak
982
weight
0.10000E+01 volume
0.83628E+01 ppm1
3.093
ppm2
3.855

ASSI {992}

((segid “PROT” and resid 96 and name HB2))

((segid “PROT” and resid 96 and name HA))

2.600
1.700
1.700 peak
992
weight
0.10000E+01 volume
0.34567E+01 ppm1
2.583
ppm2
3.825

ASSI {1002}

((segid “PROT” and resid 111 and name HB1))

((segid “PROT” and resid 108 and name HA))

2.800
2.000
2.000 peak
1002
weight
0.10000E+01 volume
0.21206E+01 ppm1
1.909
ppm2
4.234

ASSI {1012}

((segid “PROT” and resid 110 and name HB))

((segid “PROT” and resid 107 and name HA))

2.700
1.800
1.800 peak
1012
weight
0.10000E+01 volume
0.26266E+01 ppm1
1.801
ppm2
3.854

ASSI {1022}

((segid “PROT” and resid 111 and name HB2))

((segid “PROT” and resid 108 and name HA))

2.900
2.100
2.100 peak
1022
weight
0.10000E+01 volume
0.18539E+01 ppm1
1.786
ppm2
4.236

ASSI {1042}

((segid “PROT” and resid 110 and name HG11))

((segid “PROT” and resid 107 and name HA))

2.400
1.400
1.400 peak
1042
weight
0.10000E+01 volume
0.50798E+01 ppm1
1.154
ppm2
3.857

ASSI {1052}

(segid “PROT” and resid 110 and name HG2%)

((segid “PROT” and resid 107 and name HA))

2.800
2.000
2.000 peak
1052
weight
0.10000E+01 volume
0.22040E+01 ppm1
0.695
ppm2
3.855

ASSI {1062}

(segid “PROT” and resid 110 and name HD1%)

((segid “PROT” and resid 107 and name HA))

2.600
1.700
1.700 peak
1062
weight
0.10000E+01 volume
0.35344E+01 ppm1
0.569
ppm2
3.856

ASSI {1072}

(segid “PROT” and resid 105 and name HD%)

((segid “PROT” and resid 105 and name HA))

2.600
1.700
1.700 peak
1072
weight
0.10000E+01 volume
0.30484E+01 ppm1
7.234
ppm2
4.364

ASSI {1092}

(segid “PROT” and resid 88 and name HD%)

((segid “PROT” and resid 88 and name HA))

2.800
2.000
2.000 peak
1092
weight
0.10000E+01 volume
0.19898E+01 ppm1
6.977
ppm2
4.331

ASSI {1102}

((segid “PROT” and resid 105 and name HB1))

((segid “PROT” and resid 105 and name HA))

2.500
1.600
1.600 peak
1102
weight
0.10000E+01 volume
0.44197E+01 ppm1
3.172
ppm2
4.362

ASSI {1112}

((segid “PROT” and resid 105 and name HB2))

((segid “PROT” and resid 105 and name HA))

2.600
1.700
1.700 peak
1112
weight
0.10000E+01 volume
0.34973E+01 ppm1
3.103
ppm2
4.362

ASSI {1132}

(segid “PROT” and resid 95 and name HD%)

((segid “PROT” and resid 95 and name HA))

2.900
2.100
2.100 peak
1132
weight
0.10000E+01 volume
0.16794E+01 ppm1
6.869
ppm2
3.647

ASSI {1142}

((segid “PROT” and resid 20 and name HB1))

((segid “PROT” and resid 20 and name HA))

1.900
0.900
0.900 peak
1142
weight
0.10000E+01 volume
0.20468E+02 ppm1
4.099
ppm2
4.330

ASSI {1152}

((segid “PROT” and resid 98 and name HB2))

((segid “PROT” and resid 95 and name HA))

2.900
2.100
2.100 peak
1152
weight
0.10000E+01 volume
0.15905E+01 ppm1
3.054
ppm2
3.651

ASSI {1162}

((segid “PROT” and resid 95 and name HB1))

((segid “PROT” and resid 95 and name HA))

2.800
2.000
2.000 peak
1162
weight
0.10000E+01 volume
0.21842E+01 ppm1
2.947
ppm2
3.649

ASSI {1192}

(segid “PROT” and resid 74 and name HD%)

((segid “PROT” and resid 74 and name HA))

2.900
2.100
2.100 peak
1192
weight
0.10000E+01 volume
0.17594E+01 ppm1
6.440
ppm2
3.805

ASSI {1202}

((segid “PROT” and resid 74 and name HB1))

((segid “PROT” and resid 74 and name HA))

2.700
1.800
1.800 peak
1202
weight
0.10000E+01 volume
0.25521E+01 ppm1
3.000
ppm2
3.810

ASSI {1212}

((segid “PROT” and resid 62 and name HD1))

((segid “PROT” and resid 59 and name HA))

2.800
2.000
2.000 peak
1212
weight
0.10000E+01 volume
0.20013E+01 ppm1
2.581
ppm2
4.327

ASSI {1222}

((segid “PROT” and resid 74 and name HB2))

((segid “PROT” and resid 74 and name HA))

2.700
1.800
1.800 peak
1222
weight
0.10000E+01 volume
0.25019E+01 ppm1
2.428
ppm2
3.801

ASSI {1232}

(segid “PROT” and resid 47 and name HD%)

((segid “PROT” and resid 47 and name HA))

2.800
2.000
2.000 peak
1232
weight
0.10000E+01 volume
0.19922E+01 ppm1
7.410
ppm2
4.152

ASSI {1242}

(segid “PROT” and resid 106 and name HD%)

((segid “PROT” and resid 106 and name HA))

2.700
1.800
1.800 peak
1242
weight
0.10000E+01 volume
0.28829E+01 ppm1
6.951
ppm2
4.002

ASSI {1252}

((segid “PROT” and resid 32 and name HB1))

((segid “PROT” and resid 32 and name HA))

2.500
1.600
1.600 peak
1252
weight
0.10000E+01 volume
0.43254E+01 ppm1
3.639
ppm2
4.422

ASSI {1262}

((segid “PROT” and resid 32 and name HB2))

((segid “PROT” and resid 32 and name HA))

2.500
1.600
1.600 peak
1262
weight
0.10000E+01 volume
0.45345E+01 ppm1
3.408
ppm2
4.424

ASSI {1272}

((segid “PROT” and resid 106 and name HB1))

((segid “PROT” and resid 106 and name HA))

2.600
1.700
1.700 peak
1272
weight
0.10000E+01 volume
0.30595E+01 ppm1
3.360
ppm2
3.998

ASSI {1282}

((segid “PROT” and resid 47 and name HB1))

((segid “PROT” and resid 47 and name HA))

2.600
1.700
1.700 peak
1282
weight
0.10000E+01 volume
0.34928E+01 ppm1
3.244
ppm2
4.144

ASSI {1292}

((segid “PROT” and resid 106 and name HB2))

((segid “PROT” and resid 106 and name HA))

2.400
1.400
1.400 peak
1292
weight
0.10000E+01 volume
0.47428E+01 ppm1
3.136
ppm2
4.000

ASSI {1302}

((segid “PROT” and resid 35 and name HG1))

((segid “PROT” and resid 32 and name HA))

2.500
1.600
1.600 peak
1302
weight
0.10000E+01 volume
0.37666E+01 ppm1
2.896
ppm2
4.423

ASSI {1312}

((segid “PROT” and resid 47 and name HB2))

((segid “PROT” and resid 47 and name HA))

2.700
1.800
1.800 peak
1312
weight
0.10000E+01 volume
0.27409E+01 ppm1
2.846
ppm2
4.145

ASSI {1322}

((segid “PROT” and resid 59 and name HG1))

((segid “PROT” and resid 59 and name HA))

2.800
2.000
2.000 peak
1322
weight
0.10000E+01 volume
0.20732E+01 ppm1
2.663
ppm2
4.338

ASSI {1342}

((segid “PROT” and resid 59 and name HB2))

((segid “PROT” and resid 59 and name HA))

2.900
2.100
2.100 peak
1342
weight
0.10000E+01 volume
0.16833E+01 ppm1
1.928
ppm2
4.332

ASSI {1362}

((segid “PROT” and resid 58 and name HG2%)

((segid “PROT” and resid 59 and name HA))

2.900
2.100
2.100 peak
1362
weight
0.10000E+01 volume
0.17814E+01 ppm1
1.110
ppm2
4.338

ASSI {1402}

((segid “PROT” and resid 57 and name HE2))

((segid “PROT” and resid 57 and name HA))

2.500
1.600
1.600 peak
1402
weight
0.10000E+01 volume
0.37335E+01 ppm1
2.082
ppm2
3.909

ASSI {1422}

((segid “PROT” and resid 115 and name HB2))

((segid “PROT” and resid 116 and name HA))

2.500
2.500
2.000 peak
1422
weight
0.10000E+01 volume
0.40056E+01 ppm1
1.620
ppm2
4.238

ASSI {1452}

((segid “PROT” and resid 57 and name HB2))

((segid “PROT” and resid 57 and name HA))

2.800
2.000
2.000 peak
1452
weight
0.10000E+01 volume
0.21470E+01 ppm1
1.117
ppm2
3.907

ASSI {1462}

((segid “PROT” and resid 57 and name HD2))

((segid “PROT” and resid 57 and name HA))

2.600
1.700
1.700 peak
1462
weight
0.10000E+01 volume
0.31356E+01 ppm1
0.915
ppm2
3.902

ASSI {1472}

((segid “PROT” and resid 67 and name HD%)

((segid “PROT” and resid 67 and name HA))

2.800
2.000
2.000 peak
1472
weight
0.10000E+01 volume
0.21386E+01 ppm1
6.321
ppm2
4.108

ASSI {1482}

((segid “PROT” and resid 67 and name HB1))

((segid “PROT” and resid 67 and name HA))

2.300
1.300
1.300 peak
1482
weight
0.10000E+01 volume
0.60720E+01 ppm1
3.005
ppm2
4.099

ASSI {1492}

((segid “PROT” and resid 116 and name HB))

((segid “PROT” and resid 116 and name HA))

2.100
1.100
1.100 peak
1492
weight
0.10000E+01 volume
0.10649E+02 ppm1
1.851
ppm2
4.267

ASSI {1512}

((segid “PROT” and resid 19 and name HG1))

((segid “PROT” and resid 19 and name HA))

2.400
1.400
1.400 peak
1512
weight
0.10000E+01 volume
0.53544E+01 ppm1
1.309
ppm2
3.719

ASSI {1522}

((segid “PROT” and resid 63 and name HD2%)

((segid “PROT” and resid 19 and name HA))

2.700
1.800
1.800 peak
1522
weight
0.10000E+01 volume
0.24664E+01 ppm1
1.088
ppm2
3.720

ASSI {1542}

((segid “PROT” and resid 63 and name HD1%)

((segid “PROT” and resid 19 and name HA))

2.200
1.200
1.200 peak
1542
weight
0.10000E+01 volume
0.78864E+01 ppm1
0.917
ppm2
3.720

ASSI {1552}

((segid “PROT” and resid 116 and name HG2%)

((segid “PROT” and resid 116 and name HA))

2.200
1.200
1.200 peak
1552
weight
0.10000E+01 volume
0.85343E+01 ppm1
0.860
ppm2
4.275

ASSI {1582}

((segid “PROT” and resid 107 and name HB1))

((segid “PROT” and resid 104 and name HA))

2.400
1.400
1.400 peak
1582
weight
0.10000E+01 volume
0.52143E+01 ppm1
3.089
ppm2
4.111

ASSI {1602}

((segid “PROT” and resid 103 and name HG1))

((segid “PROT” and resid 103 and name HA))

2.700
1.800
1.800 peak
1602
weight
0.10000E+01 volume
0.23739E+01 ppm1
2.039
ppm2
3.221

ASSI {1612}

((segid “PROT” and resid 104 and name HB1))

((segid “PROT” and resid 104 and name HA))

1.900
0.900
0.900 peak
1612
weight
0.10000E+01 volume
0.22561E+02 ppm1
1.962
ppm2
4.102

ASSI {1632}

((segid “PROT” and resid 103 and name HB1))

((segid “PROT” and resid 103 and name HA))

2.700
1.800
1.800 peak
1632
weight
0.10000E+01 volume
0.24604E+01 ppm1
1.783
ppm2
3.225

ASSI {1682}

((segid “PROT” and resid 103 and name HB2))

((segid “PROT” and resid 103 and name HA))

2.600
1.700
1.700 peak
1682
weight
0.10000E+01 volume
0.35179E+01 ppm1
1.332
ppm2
3.221

ASSI {1702}

((segid “PROT” and resid 116 and name HG12))

((segid “PROT” and resid 111 and name HA))

2.800
2.000
2.000 peak
1702
weight
0.10000E+01 volume
0.20569E+01 ppm1
0.976
ppm2
4.097

ASSI {1742}

((segid “PROT” and resid 61 and name HG2))

((segid “PROT” and resid 61 and name HA))

2.000
1.000
1.000 peak
1742
weight
0.10000E+01 volume
0.14343E+02 ppm1
2.268
ppm2
4.079

ASSI {1752}

((segid “PROT” and resid 111 and name HB1))

((segid “PROT” and resid 111 and name HA))

1.900
1.900
2.600 peak
1752
weight
0.10000E+01 volume
0.22665E+02 ppm1
1.915
ppm2
4.078

ASSI {1792}

((segid “PROT” and resid 29 and name HG2))

((segid “PROT” and resid 29 and name HA))

2.200
1.200
1.200 peak
1792
weight
0.10000E+01 volume
0.81264E+01 ppm1
2.431
ppm2
4.224

ASSI {1812}

((segid “PROT” and resid 29 and name HB1))

((segid “PROT” and resid 29 and name HA))

1.900
0.900
0.900 peak
1812
weight
0.10000E+01 volume
0.21970E+02 ppm1
2.139
ppm2
4.238

ASSI {1922}

((segid “PROT” and resid 82 and name HD%)

((segid “PROT” and resid 82 and name HA))

2.500
1.600
1.600 peak
1922
weight
0.10000E+01 volume
0.42297E+01 ppm1
6.693
ppm2
4.214

ASSI {1932}

((segid “PROT” and resid 82 and name HB1))

((segid “PROT” and resid 82 and name HA))

2.500
1.600
1.600 peak
1932
weight
0.10000E+01 volume
0.37394E+01 ppm1
3.128
ppm2
4.216

ASSI {1952}

((segid “PROT” and resid 86 and name HG1))

((segid “PROT” and resid 86 and name HA))

2.700
1.800
1.800 peak
1952
weight
0.10000E+01 volume
0.28775E+01 ppm1
1.344
ppm2
4.264

ASSI {1962}

((segid “PROT” and resid 86 and name HG2))

((segid “PROT” and resid 86 and name HA))

2.700
1.800
1.800 peak
1962
weight
0.10000E+01 volume
0.29223E+01 ppm1
0.165
ppm2
4.263

ASSI {2022}

((segid “PROT” and resid 28 and name HB2))

((segid “PROT” and resid 28 and name HA))

2.600
1.700
1.700 peak
2022
weight
0.10000E+01 volume
0.30612E+01 ppm1
2.817
ppm2
4.021

ASSI {2032}

((segid “PROT” and resid 13 and name HB1))

((segid “PROT” and resid 13 and name HA))

2.000
1.000
1.000 peak
2032
weight
0.10000E+01 volume
0.14730E+02 ppm1
2.191
ppm2
4.217

ASSI {2042}

((segid “PROT” and resid 86 and name HB1))

((segid “PROT” and resid 86 and name HA))

2.500
1.600
1.600 peak
2042
weight
0.10000E+01 volume
0.45267E+01 ppm1
1.810
ppm2
4.265

ASSI {2052}

((segid “PROT” and resid 14 and name HG))

((segid “PROT” and resid 14 and name HA))

2.800
2.000
2.000 peak
2052
weight
0.10000E+01 volume
0.19350E+01 ppm1
1.426
ppm2
4.090

ASSI {2112}

((segid “PROT” and resid 87 and name HG2))

((segid “PROT” and resid 87 and name HA))

2.200
1.200
1.200 peak
2112
weight
0.10000E+01 volume
0.95163E+01 ppm1
2.235
ppm2
4.334

ASSI {2132}

((segid “PROT” and resid 80 and name HB1))

((segid “PROT” and resid 80 and name HA))

2.400
1.400
1.400 peak
2132
weight
0.10000E+01 volume
0.55458E+01 ppm1
2.013
ppm2
4.098

ASSI {2142}

((segid “PROT” and resid 68 and name HD%)

((segid “PROT” and resid 68 and name HA))

2.900
2.100
2.100 peak
2142
weight
0.10000E+01 volume
0.18798E+01 ppm1
7.208
ppm2
4.583

ASSI {2152}

((segid “PROT” and resid 21 and name HB))

((segid “PROT” and resid 18 and name HA))

2.700
1.800
1.800 peak
2152
weight
0.10000E+01 volume
0.26066E+01 ppm1
1.954
ppm2
3.312

ASSI {2162}

((segid “PROT” and resid 73 and name HB2))

((segid “PROT” and resid 73 and name HA))

2.400
1.400
1.400 peak
2162
weight
0.10000E+01 volume
0.47318E+01 ppm1
1.919
ppm2
4.261

ASSI {2172}

((segid “PROT” and resid 18 and name HG))

((segid “PROT” and resid 18 and name HA))

3.000
2.200
2.200 peak
2172
weight
0.10000E+01 volume
0.15478E+01 ppm1
1.708
ppm2
3.315

ASSI {2182}

((segid “PROT” and resid 81 and name HB))

((segid “PROT” and resid 78 and name HA))

2.900
2.100
2.100 peak
2182
weight
0.10000E+01 volume
0.16328E+01 ppm1
1.471
ppm2
3.416

ASSI {2192}

((segid “PROT” and resid 59 and name HE%)

((segid “PROT” and resid 78 and name HA))

2.800
2.000
2.000 peak
2192
weight
0.10000E+01 volume
0.19929E+01 ppm1
1.311
ppm2
3.422

ASSI {2212}

((segid “PROT” and resid 78 and name HB1))

((segid “PROT” and resid 78 and name HA))

2.600
1.700
1.700 peak
2212
weight
0.10000E+01 volume
0.36430E+01 ppm1
0.739
ppm2
3.417

ASSI {2242}

((segid “PROT” and resid 18 and name HD1%)

((segid “PROT” and resid 18 and name HA))

2.700
1.800
1.800 peak
2242
weight
0.10000E+01 volume
0.24789E+01 ppm1
0.511
ppm2
3.318

ASSI {2282}

((segid “PROT” and resid 77 and name HB1))

((segid “PROT” and resid 77 and name HA))

2.500
1.600
1.600 peak
2282
weight
0.10000E+01 volume
0.45855E+01 ppm1
2.749
ppm2
4.395

ASSI {2292}

((segid “PROT” and resid 80 and name HB2))

((segid “PROT” and resid 77 and name HA))

2.700
1.800
1.800 peak
2292
weight
0.10000E+01 volume
0.25994E+01 ppm1
1.942
ppm2
4.393

ASSI {2302}

((segid “PROT” and resid 50 and name HG11))

((segid “PROT” and resid 50 and name HA))

2.900
2.100
2.100 peak
2302
weight
0.10000E+01 volume
0.16293E+01 ppm1
0.837
ppm2
3.951

ASSI {2312}

((segid “PROT” and resid 50 and name HD1%)

((segid “PROT” and resid 50 and name HA))

2.100
1.100
1.100 peak
2312
weight
0.10000E+01 volume
0.10702E+02 ppm1
0.582
ppm2
3.952

ASSI {2342}

((segid “PROT” and resid 92 and name HG2))

((segid “PROT” and resid 92 and name HA))

2.300
1.300
1.300 peak
2342
weight
0.10000E+01 volume
0.72564E+01 ppm1
2.257
ppm2
4.253

ASSI {2352}

((segid “PROT” and resid 92 and name HB1))

((segid “PROT” and resid 92 and name HA))

2.200
1.200
1.200 peak
2352
weight
0.10000E+01 volume
0.82085E+01 ppm1
2.103
ppm2
4.253

ASSI {2362}

((segid “PROT” and resid 92 and name HB2))

((segid “PROT” and resid 92 and name HA))

2.300
1.300
1.300 peak
2362
weight
0.10000E+01 volume
0.76333E+01 ppm1
2.023
ppm2
4.252

ASSI {2372}

((segid “PROT” and resid 51 and name HB2))

((segid “PROT” and resid 51 and name HA))

2.200
1.200
1.200 peak
2372
weight
0.10000E+01 volume
0.93999E+01 ppm1
1.212
ppm2
3.878

ASSI {2402}

((segid “PROT” and resid 109 and name HB2))

((segid “PROT” and resid 109 and name HA))

2.500
1.600
1.600 peak
2402
weight
0.10000E+01 volume
0.37867E+01 ppm1
1.586
ppm2
4.072

ASSI {2412}

((segid “PROT” and resid 109 and name HD1))

((segid “PROT” and resid 109 and name HA))

2.200
1.200
1.200 peak
2412
weight
0.10000E+01 volume
0.98857E+01 ppm1
1.421
ppm2
4.069

ASSI {2422}

((segid “PROT” and resid 109 and name HG1))

((segid “PROT” and resid 109 and name HA))

2.700
1.800
1.800 peak
2422
weight
0.10000E+01 volume
0.29134E+01 ppm1
0.852
ppm2
4.074

ASSI {2432}

((segid “PROT” and resid 105 and name HB1))

((segid “PROT” and resid 102 and name HA))

2.600
1.700
1.700 peak
2432
weight
0.10000E+01 volume
0.31410E+01 ppm1
3.172
ppm2
3.721

ASSI {2442}

((segid “PROT” and resid 105 and name HB2))

((segid “PROT” and resid 102 and name HA))

2.600
1.700
1.700 peak
2442
weight
0.10000E+01 volume
0.34157E+01 ppm1
3.110
ppm2
3.725

ASSI {2452}

((segid “PROT” and resid 66 and name HD1))

((segid “PROT” and resid 66 and name HA))

2.600
1.700
1.700 peak
2452
weight
0.10000E+01 volume
0.34111E+01 ppm1
3.102
ppm2
4.444

ASSI {2462}

((segid “PROT” and resid 66 and name HB1))

((segid “PROT” and resid 66 and name HA))

2.500
1.600
1.600 peak
2462
weight
0.10000E+01 volume
0.45998E+01 ppm1
2.125
ppm2
4.442

ASSI {2472}

((segid “PROT” and resid 102 and name HG))

((segid “PROT” and resid 102 and name HA))

2.900
2.100
2.100 peak
2472
weight
0.10000E+01 volume
0.15660E+01 ppm1
1.598
ppm2
3.722

ASSI {2492}

((segid “PROT” and resid 102 and name HB2))

((segid “PROT” and resid 102 and name HA))

2.600
1.700
1.700 peak
2492
weight
0.10000E+01 volume
0.29926E+01 ppm1
1.266
ppm2
3.725

ASSI {2502}

(segid “PROT” and resid 101 and name HG2%)

((segid “PROT” and resid 102 and name HA))

2.900
2.100
2.100 peak
2502
weight
0.10000E+01 volume
0.16802E+01 ppm1
1.035
ppm2
3.725

ASSI {2512}

(segid “PROT” and resid 102 and name HD2%)

((segid “PROT” and resid 102 and name HA))

2.200
1.200
1.200 peak
2512
weight
0.10000E+01 volume
0.92912E+01 ppm1
0.765
ppm2
3.722

ASSI {2522}

((segid “PROT” and resid 42 and name HB1))

((segid “PROT” and resid 42 and name HA))

2.500
1.600
1.600 peak
2522
weight
0.10000E+01 volume
0.43700E+01 ppm1
2.218
ppm2
4.498

ASSI {2582}

((segid “PROT” and resid 6 and name HB1))

((segid “PROT” and resid 6 and name HA))

2.300
1.300
1.300 peak
2582
weight
0.10000E+01 volume
0.76268E+01 ppm1
1.885
ppm2
4.371

ASSI {2592}

((segid “PROT” and resid 6 and name HB2))

((segid “PROT” and resid 6 and name HA))

2.300
1.300
1.300 peak
2592
weight
0.10000E+01 volume
0.76524E+01 ppm1
1.790
ppm2
4.373

ASSI {2622}

(segid “PROT” and resid 34 and name HD%)

((segid “PROT” and resid 34 and name HA))

2.700
1.800
1.800 peak
2622
weight
0.10000E+01 volume
0.27444E+01 ppm1
7.182
ppm2
5.002

ASSI {2632}

((segid “PROT” and resid 34 and name HB1))

((segid “PROT” and resid 34 and name HA))

2.700
1.800
1.800 peak
2632
weight
0.10000E+01 volume
0.28879E+01 ppm1
3.515
ppm2
5.002

ASSI {2642}

((segid “PROT” and resid 15 and name HB1))

((segid “PROT” and resid 12 and name HA))

2.600
1.700
1.700 peak
2642
weight
0.10000E+01 volume
0.32274E+01 ppm1
3.248
ppm2
4.707

ASSI {2662}

((segid “PROT” and resid 15 and name HB2))

((segid “PROT” and resid 12 and name HA))

2.900
2.100
2.100 peak
2662
weight
0.10000E+01 volume
0.16345E+01 ppm1
3.089
ppm2
4.717

ASSI {2702}

((segid “PROT” and resid 103 and name HB2))

((segid “PROT” and resid 100 and name HA))

2.900
2.100
2.100 peak
2702
weight
0.10000E+01 volume
0.16134E+01 ppm1
1.345
ppm2
4.362

ASSI {2712}

((segid “PROT” and resid 34 and name HZ))

((segid “PROT” and resid 99 and name HA))

2.800
2.000
2.000 peak
2712
weight
0.10000E+01 volume
0.22850E+01 ppm1
7.294
ppm2
3.915

ASSI {2742}

((segid “PROT” and resid 115 and name HB2))

((segid “PROT” and resid 115 and name HA))

2.200
1.200
1.200 peak
2742
weight
0.10000E+01 volume
0.98559E+01 ppm1
1.608
ppm2
4.256

ASSI {2772}

(segid “PROT” and resid 82 and name HD%)

((segid “PROT” and resid 99 and name HA))

2.900
2.100
2.100 peak
2772
weight
0.10000E+01 volume
0.16551E+01 ppm1
6.698
ppm2
3.908

ASSI {2782}

((segid “PROT” and resid 84 and name HB1))

((segid “PROT” and resid 84 and name HA))

2.600
1.700
1.700 peak
2782
weight
0.10000E+01 volume
0.32197E+01 ppm1
3.027
ppm2
4.340

ASSI {2792}

((segid “PROT” and resid 84 and name HB2))

((segid “PROT” and resid 84 and name HA))

2.700
1.800
1.800 peak
2792
weight
0.10000E+01 volume
0.29245E+01 ppm1
2.710
ppm2
4.343

ASSI {2802}

((segid “PROT” and resid 87 and name HB1))

((segid “PROT” and resid 84 and name HA))

2.800
2.000
2.000 peak
2802
weight
0.10000E+01 volume
0.21085E+01 ppm1
2.231
ppm2
4.341

ASSI {2832}

((segid “PROT” and resid 79 and name HB2))

((segid “PROT” and resid 76 and name HA))

2.800
2.000
2.000 peak
2832
weight
0.10000E+01 volume
0.23028E+01 ppm1
2.109
ppm2
4.118

ASSI {2862}

(segid “PROT” and resid 52 and name HD%)

((segid “PROT” and resid 52 and name HA))

2.800
2.000
2.000 peak
2862
weight
0.10000E+01 volume
0.23174E+01 ppm1
7.277
ppm2
5.037

ASSI {2892}

((segid “PROT” and resid 53 and name HD1))

((segid “PROT” and resid 52 and name HA))

2.400
1.400
1.400 peak
2892
weight
0.10000E+01 volume
0.55449E+01 ppm1
3.654
ppm2
5.038

ASSI {2902}

((segid “PROT” and resid 53 and name HD2))

((segid “PROT” and resid 52 and name HA))

2.400
1.400
1.400 peak
2902
weight
0.10000E+01 volume
0.48228E+01 ppm1
3.442
ppm2
5.036

ASSI {2912}

((segid “PROT” and resid 52 and name HB1))

((segid “PROT” and resid 52 and name HA))

2.600
1.700
1.700 peak
2912
weight
0.10000E+01 volume
0.33008E+01 ppm1
3.088
ppm2
5.040

ASSI {2922}

((segid “PROT” and resid 52 and name HB2))

((segid “PROT” and resid 52 and name HA))

2.700
1.800
1.800 peak
2922
weight
0.10000E+01 volume
0.25314E+01 ppm1
2.964
ppm2
5.037

ASSI {2952}

(segid “PROT” and resid 34 and name HD%)

((segid “PROT” and resid 31 and name HA))

2.600
1.700
1.700 peak
2952
weight
0.10000E+01 volume
0.33249E+01 ppm1
7.187
ppm2
4.441

ASSI {2962}

((segid “PROT” and resid 55 and name HB1))

((segid “PROT” and resid 55 and name HA))

2.400
1.400
1.400 peak
2962
weight
0.10000E+01 volume
0.52960E+01 ppm1
2.405
ppm2
4.780

ASSI {2992}

(segid “PROT” and resid 102 and name HD1%)

((segid “PROT” and resid 31 and name HA))

2.300
1.300
1.300 peak
2992
weight
0.10000E+01 volume
0.69041E+01 ppm1
0.763
ppm2
4.440

ASSI {3012}

((segid “PROT” and resid 11 and name HD1))

((segid “PROT” and resid 10 and name HA))

2.100
1.100
1.100 peak
3012
weight
0.10000E+01 volume
0.11211E+02 ppm1
3.909
ppm2
4.917

ASSI {3052}

((segid “PROT” and resid 90 and name HD1))

((segid “PROT” and resid 89 and name HA))

2.500
1.600
1.600 peak
3052
weight
0.10000E+01 volume
0.37580E+01 ppm1
4.115
ppm2
5.088

ASSI {3062}

((segid “PROT” and resid 90 and name HD2))

((segid “PROT” and resid 89 and name HA))

2.600
1.700
1.700 peak
3062
weight
0.10000E+01 volume
0.34612E+01 ppm1
3.940
ppm2
5.091

ASSI {3072}

((segid “PROT” and resid 89 and name HB1))

((segid “PROT” and resid 89 and name HA))

2.800
2.000
2.000 peak
3072
weight
0.10000E+01 volume
0.19657E+01 ppm1
3.111
ppm2
5.078

ASSI {3082}

((segid “PROT” and resid 89 and name HB2))

((segid “PROT” and resid 89 and name HA))

2.900
2.100
2.100 peak
3082
weight
0.10000E+01 volume
0.16124E+01 ppm1
2.904
ppm2
5.088

ASSI {3092}

((segid “PROT” and resid 11 and name HA))

((segid “PROT” and resid 11 and name HD1))

2.800
2.000
2.000 peak
3092
weight
0.10000E+01 volume
0.19160E+01 ppm1
4.370
ppm2
3.904

ASSI {3102}

((segid “PROT” and resid 8 and name HG1))

((segid “PROT” and resid 8 and name HD1))

2.100
1.100
1.100 peak
3102
weight
0.10000E+01 volume
0.11827E+02 ppm1
2.074
ppm2
3.882

ASSI {3112}

((segid “PROT” and resid 36 and name HA))

((segid “PROT” and resid 37 and name HD1))

2.700
1.800
1.800 peak
3112
weight
0.10000E+01 volume
0.28261E+01 ppm1
4.872
ppm2
3.704

ASSI {3122}

((segid “PROT” and resid 7 and name HA))

((segid “PROT” and resid 8 and name HD1))

2.300
1.300
1.300 peak
3122
weight
0.10000E+01 volume
0.76265E+01 ppm1
4.585
ppm2
3.865

ASSI {3132}

((segid “PROT” and resid 7 and name HA))

((segid “PROT” and resid 8 and name HD2))

2.300
1.300
1.300 peak
3132
weight
0.10000E+01 volume
0.66114E+01 ppm1
4.587
ppm2
3.716

ASSI {3142}

((segid “PROT” and resid 8 and name HD2))

((segid “PROT” and resid 8 and name HD1))

1.800
0.800
0.800 peak
3142
weight
0.10000E+01 volume
0.26186E+02 ppm1
3.720
ppm2
3.860

ASSI {3152}

((segid “PROT” and resid 37 and name HB1))

((segid “PROT” and resid 37 and name HD1))

2.700
1.800
1.800 peak
3152
weight
0.10000E+01 volume
0.28240E+01 ppm1
2.371
ppm2
3.695

ASSI {3162}

((segid “PROT” and resid 8 and name HB1))

((segid “PROT” and resid 8 and name HD1))

2.900
2.100
2.100 peak
3162
weight
0.10000E+01 volume
0.17476E+01 ppm1
2.298
ppm2
3.866

ASSI {3172}

((segid “PROT” and resid 53 and name HG1))

((segid “PROT” and resid 53 and name HD1))

2.400
1.400
1.400 peak
3172
weight
0.10000E+01 volume
0.53813E+01 ppm1
2.286
ppm2
3.674

ASSI {3182}

((segid “PROT” and resid 37 and name HG1))

((segid “PROT” and resid 37 and name HD1))

2.300
1.300
1.300 peak
3182
weight
0.10000E+01 volume
0.67841E+01 ppm1
2.181
ppm2
3.700

ASSI {3192}

((segid “PROT” and resid 8 and name HG1))

((segid “PROT” and resid 8 and name HD2))

2.200
1.200
1.200 peak
3192
weight
0.10000E+01 volume
0.10002E+02 ppm1
2.053
ppm2
3.717

ASSI {3212}

((segid “PROT” and resid 37 and name HB2))

((segid “PROT” and resid 37 and name HD1))

2.500
1.600
1.600 peak
3212
weight
0.10000E+01 volume
0.40424E+01 ppm1
1.710
ppm2
3.686

ASSI {3262}

((segid “PROT” and resid 43 and name HA))

((segid “PROT” and resid 44 and name HD2))

2.400
1.400
1.400 peak
3262
weight
0.10000E+01 volume
0.56600E+01 ppm1
4.992
ppm2
3.570

ASSI {3282}

((segid “PROT” and resid 90 and name HD2))

((segid “PROT” and resid 90 and name HD1))

2.500
1.600
1.600 peak
3282
weight
0.10000E+01 volume
0.38203E+01 ppm1
3.937
ppm2
4.103

ASSI {3292}

((segid “PROT” and resid 44 and name HD1))

((segid “PROT” and resid 44 and name HD2))

2.100
1.100
1.100 peak
3292
weight
0.10000E+01 volume
0.11588E+02 ppm1
3.826
ppm2
3.570

ASSI {3302}

((segid “PROT” and resid 53 and name HD1))

((segid “PROT” and resid 53 and name HD2))

2.100
1.100
1.100 peak
3302
weight
0.10000E+01 volume
0.11080E+02 ppm1
3.654
ppm2
3.447

ASSI {3332}

((segid “PROT” and resid 53 and name HG1))

((segid “PROT” and resid 53 and name HD2))

2.600
1.700
1.700 peak
3332
weight
0.10000E+01 volume
0.34260E+01 ppm1
2.280
ppm2
3.443

ASSI {3342}

((segid “PROT” and resid 44 and name HG1))

((segid “PROT” and resid 44 and name HD1))

2.500
1.600
1.600 peak
3342
weight
0.10000E+01 volume
0.38679E+01 ppm1
2.211
ppm2
3.827

ASSI {3352}

((segid “PROT” and resid 44 and name HG1))

((segid “PROT” and resid 44 and name HD2))

2.500
1.600
1.600 peak
3352
weight
0.10000E+01 volume
0.38481E+01 ppm1
2.209
ppm2
3.573

ASSI {3362}

((segid “PROT” and resid 90 and name HB2))

((segid “PROT” and resid 90 and name HD1))

2.800
2.000
2.000 peak
3362
weight
0.10000E+01 volume
0.20486E+01 ppm1
2.199
ppm2
4.116

ASSI {3372}

((segid “PROT” and resid 90 and name HB2))

((segid “PROT” and resid 90 and name HD2))

2.700
1.800
1.800 peak
3372
weight
0.10000E+01 volume
0.25162E+01 ppm1
2.199
ppm2
3.945

ASSI {3382}

((segid “PROT” and resid 44 and name HB2))

((segid “PROT” and resid 44 and name HD2))

2.500
1.600
1.600 peak
3382
weight
0.10000E+01 volume
0.45799E+01 ppm1
2.077
ppm2
3.574

ASSI {3392}

((segid “PROT” and resid 53 and name HG2))

((segid “PROT” and resid 53 and name HD2))

2.700
1.800
1.800 peak
3392
weight
0.10000E+01 volume
0.26881E+01 ppm1
1.943
ppm2
3.442

ASSI {3412}

((segid “PROT” and resid 33 and name HD1))

((segid “PROT” and resid 33 and name HD2))

2.500
1.600
1.600 peak
3412
weight
0.10000E+01 volume
0.46632E+01 ppm1
2.268
ppm2
1.576

ASSI {3432}

((segid “PROT” and resid 44 and name HD1))

((segid “PROT” and resid 43 and name HA))

2.400
1.400
1.400 peak
3432
weight
0.10000E+01 volume
0.53974E+01 ppm1
3.826
ppm2
4.987

ASSI {3462}

((segid “PROT” and resid 114 and name HA1))

((segid “PROT” and resid 114 and name HA2))

2.100
1.100
1.100 peak
3462
weight
0.10000E+01 volume
0.10591E+02 ppm1
4.258
ppm2
4.070

ASSI {3492}

((segid “PROT” and resid 37 and name HA))

((segid “PROT” and resid 55 and name HB1))

2.900
2.100
2.100 peak
3492
weight
0.10000E+01 volume
0.16441E+01 ppm1
4.278
ppm2
2.404

ASSI {3512}

((segid “PROT” and resid 57 and name HE2))

((segid “PROT” and resid 57 and name HE1))

2.300
1.300
1.300 peak
3512
weight
0.10000E+01 volume
0.74338E+01 ppm1
2.077
ppm2
2.615

ASSI {3522}

((segid “PROT” and resid 57 and name HD1))

((segid “PROT” and resid 57 and name HE1))

2.800
2.000
2.000 peak
3522
weight
0.10000E+01 volume
0.20286E+01 ppm1
1.759
ppm2
2.624

ASSI {3552}

((segid “PROT” and resid 57 and name HD2))

((segid “PROT” and resid 57 and name HE1))

2.900
2.100
2.100 peak
3552
weight
0.10000E+01 volume
0.16708E+01 ppm1
0.917
ppm2
2.626

ASSI {3572}

(segid “PROT” and resid 68 and name HD%)

((segid “PROT” and resid 73 and name HB2))

2.900
2.100
2.100 peak
3572
weight
0.10000E+01 volume
0.16761E+01 ppm1
7.210
ppm2
1.912

ASSI {3582}

(segid “PROT” and resid 68 and name HD%)

((segid “PROT” and resid 73 and name HB1))

2.800
2.000
2.000 peak
3582
weight
0.10000E+01 volume
0.21142E+01 ppm1
7.199
ppm2
2.025

ASSI {3612}

((segid “PROT” and resid 73 and name HA))

((segid “PROT” and resid 73 and name HB1))

2.600
1.700
1.700 peak
3612
weight
0.10000E+01 volume
0.31935E+01 ppm1
4.261
ppm2
2.026

ASSI {3632}

((segid “PROT” and resid 73 and name HB1))

((segid “PROT” and resid 73 and name HB2))

2.200
1.200
1.200 peak
3632
weight
0.10000E+01 volume
0.94680E+01 ppm1
2.031
ppm2
1.912

ASSI {3652}

((segid “PROT” and resid 73 and name HG))

((segid “PROT” and resid 73 and name HB1))

2.400
1.400
1.400 peak
3652
weight
0.10000E+01 volume
0.56300E+01 ppm1
1.804
ppm2
2.035

ASSI {3662}

((segid “PROT” and resid 73 and name HG))

((segid “PROT” and resid 73 and name HB2))

2.500
1.600
1.600 peak
3662
weight
0.10000E+01 volume
0.38407E+01 ppm1
1.805
ppm2
1.924

ASSI {3702}

((segid “PROT” and resid 9 and name HA))

((segid “PROT” and resid 9 and name HD1))

2.600
1.700
1.700 peak
3702
weight
0.10000E+01 volume
0.35675E+01 ppm1
4.368
ppm2
3.223

ASSI {3752}

((segid “PROT” and resid 80 and name HA))

((segid “PROT” and resid 80 and name HD2))

2.400
1.400
1.400 peak
3752
weight
0.10000E+01 volume
0.48838E+01 ppm1
4.096
ppm2
3.319

ASSI {3762}

((segid “PROT” and resid 80 and name HA))

((segid “PROT” and resid 80 and name HD1))

2.800
2.000
2.000 peak
3762
weight
0.10000E+01 volume
0.20750E+01 ppm1
4.096
ppm2
3.401

ASSI {3772}

((segid “PROT” and resid 80 and name HB1))

((segid “PROT” and resid 80 and name HD1))

2.700
1.800
1.800 peak
3772
weight
0.10000E+01 volume
0.25765E+01 ppm1
2.006
ppm2
3.398

ASSI {3782}

((segid “PROT” and resid 80 and name HB1))

((segid “PROT” and resid 80 and name HD2))

2.700
1.800
1.800 peak
3782
weight
0.10000E+01 volume
0.27643E+01 ppm1
2.008
ppm2
3.325

ASSI {3792}

((segid “PROT” and resid 80 and name HG1))

((segid “PROT” and resid 80 and name HD1))

2.300
1.300
1.300 peak
3792
weight
0.10000E+01 volume
0.65114E+01 ppm1
1.786
ppm2
3.404

ASSI {3802}

((segid “PROT” and resid 80 and name HG1))

((segid “PROT” and resid 80 and name HD2))

2.400
1.400
1.400 peak
3802
weight
0.10000E+01 volume
0.57598E+01 ppm1
1.784
ppm2
3.325

ASSI {3822}

((segid “PROT” and resid 110 and name HB))

((segid “PROT” and resid 115 and name HB2))

2.400
1.400
1.400 peak
3822
weight
0.10000E+01 volume
0.52191E+01 ppm1
1.784
ppm2
1.605

ASSI {3842}

(segid “PROT” and resid 115 and name HD1%)

((segid “PROT” and resid 115 and name HB2))

2.100
1.100
1.100 peak
3842
weight
0.10000E+01 volume
0.10686E+02 ppm1
0.759
ppm2
1.614

ASSI {3902}

((segid “PROT” and resid 51 and name HA))

((segid “PROT” and resid 51 and name HD1))

2.500
1.600
1.600 peak
3902
weight
0.10000E+01 volume
0.38455E+01 ppm1
3.878
ppm2
3.021

ASSI {3912}

((segid “PROT” and resid 51 and name HG1))

((segid “PROT” and resid 51 and name HD1))

2.200
1.200
1.200 peak
3912
weight
0.10000E+01 volume
0.82005E+01 ppm1
1.353
ppm2
3.022

ASSI {3922}

((segid “PROT” and resid 51 and name HG2))

((segid “PROT” and resid 51 and name HD1))

2.200
1.200
1.200 peak
3922
weight
0.10000E+01 volume
0.97970E+01 ppm1
1.200
ppm2
3.022

ASSI {3972}

((segid “PROT” and resid 109 and name HA))

((segid “PROT” and resid 109 and name HE2))

2.800
2.000
2.000 peak
3972
weight
0.10000E+01 volume
0.19750E+01 ppm1
4.072
ppm2
2.476

ASSI {3982}

((segid “PROT” and resid 109 and name HE1))

((segid “PROT” and resid 109 and name HE2))

1.900
0.900
0.900 peak
3982
weight
0.10000E+01 volume
0.18921E+02 ppm1
2.617
ppm2
2.486

ASSI {4002}

((segid “PROT” and resid 63 and name HB2))

((segid “PROT” and resid 63 and name HB1))

2.400
1.400
1.400 peak
4002
weight
0.10000E+01 volume
0.52005E+01 ppm1
1.969
ppm2
2.354

ASSI {4012}

((segid “PROT” and resid 63 and name HG))

((segid “PROT” and resid 63 and name HB1))

2.700
1.800
1.800 peak
4012
weight
0.10000E+01 volume
0.29071E+01 ppm1
1.854
ppm2
2.356

ASSI {4022}

((segid “PROT” and resid 63 and name HG))

((segid “PROT” and resid 63 and name HB2))

2.900
2.100
2.100 peak
4022
weight
0.10000E+01 volume
0.17630E+01 ppm1
1.851
ppm2
1.979

ASSI {4032}

((segid “PROT” and resid 109 and name HD1))

((segid “PROT” and resid 109 and name HE1))

2.500
1.600
1.600 peak
4032
weight
0.10000E+01 volume
0.45997E+01 ppm1
1.422
ppm2
2.620

ASSI {4042}

((segid “PROT” and resid 109 and name HD1))

((segid “PROT” and resid 109 and name HE2))

2.400
1.400
1.400 peak
4042
weight
0.10000E+01 volume
0.47654E+01 ppm1
1.422
ppm2
2.475

ASSI {4092}

((segid “PROT” and resid 109 and name HG1))

((segid “PROT” and resid 109 and name HE2))

2.700
1.800
1.800 peak
4092
weight
0.10000E+01 volume
0.27075E+01 ppm1
0.852
ppm2
2.483

ASSI {4102}

((segid “PROT” and resid 109 and name HG1))

((segid “PROT” and resid 109 and name HE1))

2.600
1.700
1.700 peak
4102
weight
0.10000E+01 volume
0.31579E+01 ppm1
0.846
ppm2
2.624

ASSI {4202}

((segid “PROT” and resid 104 and name HG2))

((segid “PROT” and resid 104 and name HE1))

2.100
1.100
1.100 peak
4202
weight
0.10000E+01 volume
0.12880E+02 ppm1
1.452
ppm2
3.036

ASSI {4312}

(segid “PROT” and resid 82 and name HE%)

((segid “PROT” and resid 102 and name HB1))

2.900
2.100
2.100 peak
4312
weight
0.10000E+01 volume
0.16565E+01 ppm1
6.485
ppm2
1.468

ASSI {4322}

((segid “PROT” and resid 22 and name HA))

((segid “PROT” and resid 22 and name HB2))

2.700
1.800
1.800 peak
4322
weight
0.10000E+01 volume
0.27856E+01 ppm1
4.153
ppm2
1.731

ASSI {4342}

((segid “PROT” and resid 102 and name HA))

((segid “PROT” and resid 102 and name HB1))

2.700
1.800
1.800 peak
4342
weight
0.10000E+01 volume
0.24930E+01 ppm1
3.720
ppm2
1.476

ASSI {4352}

((segid “PROT” and resid 22 and name HB1))

((segid “PROT” and resid 22 and name HB2))

2.300
1.300
1.300 peak
4352
weight
0.10000E+01 volume
0.66173E+01 ppm1
2.133
ppm2
1.733

ASSI {4372}

((segid “PROT” and resid 102 and name HG))

((segid “PROT” and resid 102 and name HB2))

2.700
1.800
1.800 peak
4372
weight
0.10000E+01 volume
0.24653E+01 ppm1
1.593
ppm2
1.264

ASSI {4382}

((segid “PROT” and resid 102 and name HB1))

((segid “PROT” and resid 102 and name HB2))

2.300
1.300
1.300 peak
4382
weight
0.10000E+01 volume
0.76368E+01 ppm1
1.471
ppm2
1.265

ASSI {4432}

(segid “PROT” and resid 102 and name HD2%)

((segid “PROT” and resid 102 and name HB1))

2.300
1.300
1.300 peak
4432
weight
0.10000E+01 volume
0.60665E+01 ppm1
0.763
ppm2
1.471

ASSI {4452}

((segid “PROT” and resid 10 and name HA))

((segid “PROT” and resid 10 and name HB1))

2.500
1.600
1.600 peak
4452
weight
0.10000E+01 volume
0.40905E+01 ppm1
4.918
ppm2
2.800

ASSI {4462}

((segid “PROT” and resid 117 and name HA))

((segid “PROT” and resid 117 and name HB1))

2.600
1.700
1.700 peak
4462
weight
0.10000E+01 volume
0.33594E+01 ppm1
4.604
ppm2
2.737

ASSI {4472}

((segid “PROT” and resid 117 and name HA))

((segid “PROT” and resid 117 and name HB2))

2.900
2.100
2.100 peak
4472
weight
0.10000E+01 volume
0.17695E+01 ppm1
4.604
ppm2
2.577

ASSI {4482}

((segid “PROT” and resid 11 and name HD1))

((segid “PROT” and resid 10 and name HB2))

2.600
1.700
1.700 peak
4482
weight
0.10000E+01 volume
0.35230E+01 ppm1
3.901
ppm2
2.734

ASSI {4492}

((segid “PROT” and resid 117 and name HB1))

((segid “PROT” and resid 117 and name HB2))

1.800
0.800
0.800 peak
4492
weight
0.10000E+01 volume
0.26744E+02 ppm1
2.728
ppm2
2.582

ASSI {4512}

((segid “PROT” and resid 111 and name HB1))

((segid “PROT” and resid 111 and name HE1))

2.500
1.600
1.600 peak
4512
weight
0.10000E+01 volume
0.44685E+01 ppm1
1.914
ppm2
2.943

ASSI {4532}

((segid “PROT” and resid 35 and name HA))

((segid “PROT” and resid 56 and name HB1))

2.800
2.000
2.000 peak
4532
weight
0.10000E+01 volume
0.23547E+01 ppm1
4.338
ppm2
2.108

ASSI {4542}

((segid “PROT” and resid 35 and name HA))

((segid “PROT” and resid 56 and name HB2))

2.800
2.000
2.000 peak
4542
weight
0.10000E+01 volume
0.20197E+01 ppm1
4.339
ppm2
1.457

ASSI {4592}

((segid “PROT” and resid 56 and name HB1))

((segid “PROT” and resid 56 and name HB2))

2.600
1.700
1.700 peak
4592
weight
0.10000E+01 volume
0.36040E+01 ppm1
2.107
ppm2
1.443

ASSI {4602}

((segid “PROT” and resid 14 and name HB1))

((segid “PROT” and resid 14 and name HB2))

2.200
1.200
1.200 peak
4602
weight
0.10000E+01 volume
0.84236E+01 ppm1
1.892
ppm2
1.594

ASSI {4702}

(segid “PROT” and resid 14 and name HD1%)

((segid “PROT” and resid 14 and name HB1))

2.200
1.200
1.200 peak
4702
weight
0.10000E+01 volume
0.81373E+01 ppm1
0.844
ppm2
1.888

ASSI {4712}

(segid “PROT” and resid 14 and name HD2%)

((segid “PROT” and resid 14 and name HB2))

2.200
1.200
1.200 peak
4712
weight
0.10000E+01 volume
0.84093E+01 ppm1
0.842
ppm2
1.595

ASSI {4752}

(segid “PROT” and resid 88 and name HD%)

((segid “PROT” and resid 88 and name HB1))

2.800
2.000
2.000 peak
4752
weight
0.10000E+01 volume
0.23178E+01 ppm1
6.968
ppm2
2.964

ASSI {4762}

((segid “PROT” and resid 12 and name HA))

((segid “PROT” and resid 12 and name HB1))

2.400
1.400
1.400 peak
4762
weight
0.10000E+01 volume
0.54235E+01 ppm1
4.724
ppm2
2.848

ASSI {4772}

((segid “PROT” and resid 88 and name HA))

((segid “PROT” and resid 88 and name HB1))

2.600
1.700
1.700 peak
4772
weight
0.10000E+01 volume
0.29527E+01 ppm1
4.328
ppm2
2.958

ASSI {4782}

(segid “PROT” and resid 67 and name HD%)

((segid “PROT” and resid 67 and name HB1))

2.800
2.000
2.000 peak
4782
weight
0.10000E+01 volume
0.21224E+01 ppm1
6.328
ppm2
3.002

ASSI {4792}

(segid “PROT” and resid 67 and name HD%)

((segid “PROT” and resid 67 and name HB2))

2.900
2.100
2.100 peak
4792
weight
0.10000E+01 volume
0.16139E+01 ppm1
6.323
ppm2
2.095

ASSI {4812}

((segid “PROT” and resid 67 and name HA))

((segid “PROT” and resid 67 and name HB2))

2.700
1.800
1.800 peak
4812
weight
0.10000E+01 volume
0.23919E+01 ppm1
4.100
ppm2
2.095

ASSI {4832}

((segid “PROT” and resid 67 and name HB2))

((segid “PROT” and resid 67 and name HB1))

2.400
1.400
1.400 peak
4832
weight
0.10000E+01 volume
0.59989E+01 ppm1
2.093
ppm2
3.004

ASSI {4842}

(segid “PROT” and resid 96 and name HD%)

((segid “PROT” and resid 96 and name HB2))

3.000
2.200
2.200 peak
4842
weight
0.10000E+01 volume
0.13526E+01 ppm1
7.152
ppm2
2.580

ASSI {4882}

((segid “PROT” and resid 96 and name HB1))

((segid “PROT” and resid 96 and name HB2))

2.400
1.400
1.400 peak
4882
weight
0.10000E+01 volume
0.48230E+01 ppm1
3.422
ppm2
2.580

ASSI {4922}

(segid “PROT” and resid 59 and name HE%)

((segid “PROT” and resid 78 and name HB1))

2.800
2.000
2.000 peak
4922
weight
0.10000E+01 volume
0.22267E+01 ppm1
1.310
ppm2
0.747

ASSI {4942}

((segid “PROT” and resid 78 and name HB1))

((segid “PROT” and resid 78 and name HB2))

2.100
1.100
1.100 peak
4942
weight
0.10000E+01 volume
0.11151E+02 ppm1
0.741
ppm2
0.466

ASSI {5002}

(segid “PROT” and resid 74 and name HD%)

((segid “PROT” and resid 74 and name HB1))

2.800
2.000
2.000 peak
5002
weight
0.10000E+01 volume
0.21667E+01 ppm1
6.439
ppm2
3.002

ASSI {5012}

(segid “PROT” and resid 74 and name HD%)

((segid “PROT” and resid 74 and name HB2))

2.800
2.000
2.000 peak
5012
weight
0.10000E+01 volume
0.19346E+01 ppm1
6.429
ppm2
2.428

ASSI {5092}

((segid “PROT” and resid 74 and name HB1))

((segid “PROT” and resid 74 and name HB2))

2.400
1.400
1.400 peak
5092
weight
0.10000E+01 volume
0.52357E+01 ppm1
2.997
ppm2
2.425

ASSI {5102}

((segid “PROT” and resid 46 and name HB1))

((segid “PROT” and resid 46 and name HB2))

2.500
1.600
1.600 peak
5102
weight
0.10000E+01 volume
0.39310E+01 ppm1
2.759
ppm2
2.426

ASSI {5132}

((segid “PROT” and resid 18 and name HB1))

((segid “PROT” and resid 18 and name HB2))

2.500
1.600
1.600 peak
5132
weight
0.10000E+01 volume
0.40166E+01 ppm1
1.562
ppm2
0.344

ASSI {5172}

((segid “PROT” and resid 116 and name HG12))

((segid “PROT” and resid 116 and name HB))

2.800
2.000
2.000 peak
5172
weight
0.10000E+01 volume
0.21986E+01 ppm1
0.966
ppm2
1.847

ASSI {5182}

(segid “PROT” and resid 116 and name HG2%)

((segid “PROT” and resid 116 and name HB))

2.100
1.100
1.100 peak
5182
weight
0.10000E+01 volume
0.12445E+02 ppm1
0.861
ppm2
1.847

ASSI {5192}

(segid “PROT” and resid 18 and name HD1%)

((segid “PROT” and resid 74 and name HB1))

3.000
2.200
2.200 peak
5192
weight
0.10000E+01 volume
0.15029E+01 ppm1
0.513
ppm2
3.005

ASSI {5262}

(segid “PROT” and resid 34 and name HD%)

((segid “PROT” and resid 34 and name HB1))

2.900
2.100
2.100 peak
5262
weight
0.10000E+01 volume
0.18411E+01 ppm1
7.188
ppm2
3.521

ASSI {5272}

(segid “PROT” and resid 34 and name HD%)

((segid “PROT” and resid 34 and name HB2))

2.800
2.000
2.000 peak
5272
weight
0.10000E+01 volume
0.19384E+01 ppm1
7.190
ppm2
2.628

ASSI {5292}

((segid “PROT” and resid 34 and name HA))

((segid “PROT” and resid 34 and name HB2))

2.800
2.000
2.000 peak
5292
weight
0.10000E+01 volume
0.19990E+01 ppm1
4.999
ppm2
2.642

ASSI {5312}

((segid “PROT” and resid 34 and name HB1))

((segid “PROT” and resid 34 and name HB2))

2.500
1.600
1.600 peak
5312
weight
0.10000E+01 volume
0.39383E+01 ppm1
3.516
ppm2
2.634

ASSI {5332}

(segid “PROT” and resid 56 and name HD1%)

((segid “PROT” and resid 34 and name HB1))

2.900
2.100
2.100 peak
5332
weight
0.10000E+01 volume
0.16847E+01 ppm1
0.978
ppm2
3.522

ASSI {5352}

(segid “PROT” and resid 102 and name HD2%)

((segid “PROT” and resid 105 and name HB1))

2.800
2.000
2.000 peak
5352
weight
0.10000E+01 volume
0.21496E+01 ppm1
0.768
ppm2
3.140

ASSI {5372}

((segid “PROT” and resid 98 and name HA))

((segid “PROT” and resid 101 and name HB))

2.600
1.700
1.700 peak
5372
weight
0.10000E+01 volume
0.34216E+01 ppm1
4.223
ppm2
1.942

ASSI {5412}

(segid “PROT” and resid 106 and name HD%)

((segid “PROT” and resid 106 and name HB1))

2.800
2.000
2.000 peak
5412
weight
0.10000E+01 volume
0.23568E+01 ppm1
6.952
ppm2
3.355

ASSI {5422}

(segid “PROT” and resid 106 and name HD%)

((segid “PROT” and resid 106 and name HB2))

2.700
1.800
1.800 peak
5422
weight
0.10000E+01 volume
0.27113E+01 ppm1
6.948
ppm2
3.135

ASSI {5432}

((segid “PROT” and resid 100 and name HA))

((segid “PROT” and resid 100 and name HB2))

2.300
1.300
1.300 peak
5432
weight
0.10000E+01 volume
0.75634E+01 ppm1
4.370
ppm2
2.851

ASSI {5442}

((segid “PROT” and resid 100 and name HA))

((segid “PROT” and resid 100 and name HB1))

2.300
1.300
1.300 peak
5442
weight
0.10000E+01 volume
0.77384E+01 ppm1
4.368
ppm2
2.916

ASSI {5452}

((segid “PROT” and resid 97 and name HA))

((segid “PROT” and resid 100 and name HB1))

2.600
1.700
1.700 peak
5452
weight
0.10000E+01 volume
0.33747E+01 ppm1
4.235
ppm2
2.901

ASSI {5462}

((segid “PROT” and resid 97 and name HA))

((segid “PROT” and resid 100 and name HB2))

2.500
1.600
1.600 peak
5462
weight
0.10000E+01 volume
0.37542E+01 ppm1
4.236
ppm2
2.848

ASSI {5502}

((segid “PROT” and resid 80 and name HD1))

((segid “PROT” and resid 52 and name HB2))

2.900
2.100
2.100 peak
5502
weight
0.10000E+01 volume
0.18956E+01 ppm1
3.411
ppm2
2.955

ASSI {5512}

((segid “PROT” and resid 106 and name HB1))

((segid “PROT” and resid 106 and name HB2))

2.300
1.300
1.300 peak
5512
weight
0.10000E+01 volume
0.76377E+01 ppm1
3.354
ppm2
3.134

ASSI {5522}

((segid “PROT” and resid 80 and name HD2))

((segid “PROT” and resid 52 and name HB2))

3.000
2.200
2.200 peak
5522
weight
0.10000E+01 volume
0.15004E+01 ppm1
3.331
ppm2
2.955

ASSI {5542}

((segid “PROT” and resid 95 and name HB2))

((segid “PROT” and resid 95 and name HB1))

2.400
1.400
1.400 peak
5542
weight
0.10000E+01 volume
0.54751E+01 ppm1
2.639
ppm2
2.953

ASSI {5572}

(segid “PROT” and resid 52 and name HD%)

((segid “PROT” and resid 52 and name HB2))

2.700
1.800
1.800 peak
5572
weight
0.10000E+01 volume
0.25372E+01 ppm1
7.280
ppm2
2.968

ASSI {5582}

(segid “PROT” and resid 52 and name HD%)

((segid “PROT” and resid 52 and name HB1))

2.500
1.600
1.600 peak
5582
weight
0.10000E+01 volume
0.40623E+01 ppm1
7.278
ppm2
3.094

ASSI {5592}

(segid “PROT” and resid 15 and name HD%)

((segid “PROT” and resid 15 and name HB2))

2.800
2.000
2.000 peak
5592
weight
0.10000E+01 volume
0.22258E+01 ppm1
7.107
ppm2
3.091

ASSI {5602}

(segid “PROT” and resid 15 and name HD%)

((segid “PROT” and resid 15 and name HB1))

2.800
2.000
2.000 peak
5602
weight
0.10000E+01 volume
0.20171E+01 ppm1
7.104
ppm2
3.242

ASSI {5662}

((segid “PROT” and resid 15 and name HB1))

((segid “PROT” and resid 15 and name HB2))

2.200
1.200
1.200 peak
5662
weight
0.10000E+01 volume
0.10177E+02 ppm1
3.237
ppm2
3.094

ASSI {5722}

(segid “PROT” and resid 82 and name HD%)

((segid “PROT” and resid 82 and name HB1))

2.700
1.800
1.800 peak
5722
weight
0.10000E+01 volume
0.25453E+01 ppm1
6.693
ppm2
3.141

ASSI {5732}

(segid “PROT” and resid 82 and name HD%)

((segid “PROT” and resid 82 and name HB2))

2.800
2.000
2.000 peak
5732
weight
0.10000E+01 volume
0.21571E+01 ppm1
6.691
ppm2
3.009

ASSI {5772}

((segid “PROT” and resid 84 and name HB2))

((segid “PROT” and resid 84 and name HB1))

2.300
1.300
1.300 peak
5772
weight
0.10000E+01 volume
0.65685E+01 ppm1
2.715
ppm2
3.014

ASSI {5852}

((segid “PROT” and resid 92 and name HA))

((segid “PROT” and resid 92 and name HG1))

2.400
1.400
1.400 peak
5852
weight
0.10000E+01 volume
0.57224E+01 ppm1
4.255
ppm2
2.387

ASSI {5882}

((segid “PROT” and resid 103 and name HA))

((segid “PROT” and resid 103 and name HG2))

2.700
1.800
1.800 peak
5882
weight
0.10000E+01 volume
0.24953E+01 ppm1
3.225
ppm2
1.964

ASSI {5922}

((segid “PROT” and resid 110 and name HG11))

((segid “PROT” and resid 110 and name HB))

2.600
1.700
1.700 peak
5922
weight
0.10000E+01 volume
0.29669E+01 ppm1
1.151
ppm2
1.796

ASSI {5932}

((segid “PROT” and resid 110 and name HG12))

((segid “PROT” and resid 110 and name HB))

2.700
1.800
1.800 peak
5932
weight
0.10000E+01 volume
0.28889E+01 ppm1
1.092
ppm2
1.795

ASSI {5992}

((segid “PROT” and resid 47 and name HB2))

((segid “PROT” and resid 47 and name HB1))

2.300
1.300
1.300 peak
5992
weight
0.10000E+01 volume
0.69282E+01 ppm1
2.844
ppm2
3.243

ASSI {6002}

((segid “PROT” and resid 42 and name HA))

((segid “PROT” and resid 42 and name HG1))

2.500
1.600
1.600 peak
6002
weight
0.10000E+01 volume
0.40649E+01 ppm1
4.505
ppm2
2.362

ASSI {6022}

((segid “PROT” and resid 87 and name HA))

((segid “PROT” and resid 87 and name HG1))

2.600
1.700
1.700 peak
6022
weight
0.10000E+01 volume
0.35044E+01 ppm1
4.342
ppm2
2.440

ASSI {6052}

(segid “PROT” and resid 83 and name HG2%)

((segid “PROT” and resid 87 and name HG1))

2.900
2.100
2.100 peak
6052
weight
0.10000E+01 volume
0.17805E+01 ppm1
1.341
ppm2
2.456

ASSI {6072}

((segid “PROT” and resid 68 and name HA))

((segid “PROT” and resid 68 and name HB2))

2.900
2.100
2.100 peak
6072
weight
0.10000E+01 volume
0.17045E+01 ppm1
4.576
ppm2
2.958

ASSI {6082}

((segid “PROT” and resid 94 and name HA))

((segid “PROT” and resid 94 and name HG1))

2.200
1.200
1.200 peak
6082
weight
0.10000E+01 volume
0.84120E+01 ppm1
4.252
ppm2
2.257

ASSI {6092}

((segid “PROT” and resid 61 and name HA))

((segid “PROT” and resid 61 and name HG1))

2.500
1.600
1.600 peak
6092
weight
0.10000E+01 volume
0.40902E+01 ppm1
4.086
ppm2
2.414

ASSI {6112}

((segid “PROT” and resid 112 and name HA))

((segid “PROT” and resid 112 and name HG1))

2.600
1.700
1.700 peak
6112
weight
0.10000E+01 volume
0.34812E+01 ppm1
4.024
ppm2
2.394

ASSI {6122}

((segid “PROT” and resid 112 and name HA))

((segid “PROT” and resid 112 and name HG2))

2.600
1.700
1.700 peak
6122
weight
0.10000E+01 volume
0.35539E+01 ppm1
4.024
ppm2
2.252

ASSI {6132}

((segid “PROT” and resid 68 and name HB1))

((segid “PROT” and resid 68 and name HB2))

2.400
1.400
1.400 peak
6132
weight
0.10000E+01 volume
0.51026E+01 ppm1
3.099
ppm2
2.959

ASSI {6152}

((segid “PROT” and resid 74 and name HB2))

((sesid “PROT” and resid 68 and name HB1))

2.800
2.000
2.000 peak
6152
weight
0.10000E+01 volume
0.19665E+01 ppm1
2.416
ppm2
3.093

ASSI {6162}

((segid “PROT” and resid 61 and name HB2))

((segid “PROT” and resid 61 and name HG1))

1.800
0.800
0.800 peak
6162
weight
0.10000E+01 volume
0.28485E+02 ppm1
2.116
ppm2
2.409

ASSI {6212}

((segid “PROT” and resid 36 and name HA))

((segid “PROT” and resid 36 and name HG1))

2.800
2.000
2.000 peak
6212
weight
0.10000E+01 volume
0.23202E+01 ppm1
4.870
ppm2
2.207

ASSI {6222}

((segid “PROT” and resid 7 and name HA))

((sepid “PROT” and resid 7 and name HG1))

2.800
2.000
2.000 peak
6222
weight
0.10000E+01 volume
0.19256E+01 ppm1
4.584
ppm2
2.309

ASSI {6232}

((segid “PROT” and resid 108 and name HA))

((segid “PROT” and resid 112 and name HG1))

2.400
1.400
1.400 peak
6232
weight
0.10000E+01 volume
0.59666E+01 ppm1
4.231
ppm2
2.438

ASSI {6242}

((segid “PROT” and resid 8 and name HD2))

((segid “PROT” and resid 7 and name HG1))

2.900
2.100
2.100 peak
6242
weight
0.10000E+01 volume
0.17750E+01 ppm1
3.735
ppm2
2.302

ASSI {6252}

((segid “PROT” and resid 37 and name HD1))

((segid “PROT” and resid 36 and name HG1))

2.700
1.800
1.800 peak
6252
weight
0.10000E+01 volume
0.27081E+01 ppm1
3.706
ppm2
2.205

ASSI {6262}

((segid “PROT” and resid 7 and name HB2))

((segid “PROT” and resid 7 and name HG1))

2.200
1.200
1.200 peak
6262
weight
0.10000E+01 volume
0.10332E+02 ppm1
1.946
ppm2
2.303

ASSI {6272}

((segid “PROT” and resid 36 and name HB1))

((segid “PROT” and resid 36 and name HG1))

2.100
1.100
1.100 peak
6272
weight
0.10000E+01 volume
0.12608E+02 ppm1
1.808
ppm2
2.210

ASSI {6282}

((segid “PROT” and resid 24 and name HA))

((segid “PROT” and resid 24 and name HG1))

2.500
1.600
1.600 peak
6282
weight
0.10000E+01 volume
0.40773E+01 ppm1
4.220
ppm2
2.889

ASSI {6292}

((segid “PROT” and resid 24 and name HA))

((segid “PROT” and resid 24 and name HG2))

2.300
1.300
1.300 peak
6292
weight
0.10000E+01 volume
0.62451E+01 ppm1
4.222
ppm2
2.498

ASSI {6302}

((segid “PROT” and resid 79 and name HA))

((segid “PROT” and resid 79 and name HG1))

2.400
1.400
1.400 peak
6302
weight
0.10000E+01 volume
0.53286E+01 ppm1
3.858
ppm2
2.467

ASSI {6322}

((segid “PROT” and resid 24 and name HG2))

((segid “PROT” and resid 24 and name HG1))

1.900
0.900
0.900 peak
6322
weight
0.10000E+01 volume
0.19215E+02 ppm1
2.505
ppm2
2.890

ASSI {6332}

(segid “PROT” and resid 83 and name HG2%)

((segid “PROT” and resid 79 and name HG1))

2.800
2.000
2.000 peak
6332
weight
0.10000E+01 volume
0.22432E+01 ppm1
1.343
ppm2
2.481

ASSI {6372}

((segid “PROT” and resid 13 and name HA))

((segid “PROT” and resid 13 and name HG1))

2.500
1.600
1.600 peak
6372
weight
0.10000E+01 volume
0.38637E+01 ppm1
4.222
ppm2
2.535

ASSI {6392}

((segid “PROT” and resid 23 and name HA))

((segid “PROT” and resid 23 and name HG1))

2.500
1.600
1.600 peak
6392
weight
0.10000E+01 volume
0.39163E+01 ppm1
4.065
ppm2
2.594

ASSI {6402}

((segid “PROT” and resid 23 and name HA))

((segid “PROT” and resid 23 and name HG2))

2.500
1.600
1.600 peak
6402
weight
0.10000E+01 volume
0.41947E+01 ppm1
4.065
ppm2
2.484

ASSI {6412}

((segid “PROT” and resid 10 and name HB1))

((segid “PROT” and resid 13 and name HG1))

3.000
2.200
2.200 peak
6412
weight
0.10000E+01 volume
0.15094E+01 ppm1
2.806
ppm2
2.528

ASSI {6422}

((segid “PROT” and resid 10 and name HB1))

((segid “PROT” and resid 13 and name HG2))

2.800
2.000
2.000 peak
6422
weight
0.10000E+01 volume
0.20457E+01 ppm1
2.797
ppm2
2.417

ASSI {6432}

((segid “PROT” and resid 23 and name HB1))

((segid “PROT” and resid 23 and name HG1))

2.100
1.100
1.100 peak
6432
weight
0.10000E+01 volume
0.10562E+02 ppm1
2.372
ppm2
2.598

ASSI {6442}

((segid “PROT” and resid 23 and name HB2))

((segid “PROT” and resid 23 and name HG1))

2.300
1.300
1.300 peak
6442
weight
0.10000E+01 volume
0.70727E+01 ppm1
2.270
ppm2
2.591

ASSI {6472}

(segid “PROT” and resid 49 and name HG1%)

((segid “PROT” and resid 49 and name HB))

2.300
1.300
1.300 peak
6472
weight
0.10000E+01 volume
0.67655E+01 ppm1
0.964
ppm2
1.928

ASSI {6492}

((segid “PROT” and resid 60 and name HA))

((segid “PROT” and resid 59 and name HB2))

2.400
2.400
2.100 peak
6492
weight
0.10000E+01 volume
0.56526E+01 ppm1
4.451
ppm2
1.936

ASSI {6582}

((segid “PROT” and resid 75 and name HB1))

((segid “PROT” and resid 75 and name HB2))

2.100
1.100
1.100 peak
6582
weight
0.10000E+01 volume
0.12724E+02 ppm1
2.964
ppm2
2.649

ASSI {6602}

((segid “PROT” and resid 112 and name HG2))

((segid “PROT” and resid 111 and name HB1))

2.400
1.400
1.400 peak
6602
weight
0.10000E+01 volume
0.55476E+01 ppm1
2.218
ppm2
1.930

ASSI {6622}

(segid “PROT” and resid 75 and name HE%)

((segid “PROT” and resid 75 and name HB2))

2.600
1.700
1.700 peak
6622
weight
0.10000E+01 volume
0.29895E+01 ppm1
2.095
ppm2
2.645

ASSI {6702}

((segid “PROT” and resid 53 and name HA))

((segid “PROT” and resid 53 and name HB1))

2.200
1.200
1.200 peak
6702
weight
0.10000E+01 volume
0.84112E+01 ppm1
4.123
ppm2
2.249

ASSI {6722}

((segid “PROT” and resid 16 and name HB2))

((segid “PROT” and resid 19 and name HB1))

2.600
1.700
1.700 peak
6722
weight
0.10000E+01 volume
0.32944E+01 ppm1
3.944
ppm2
1.738

ASSI {6732}

((segid “PROT” and resid 16 and name HB2))

((segid “PROT” and resid 19 and name HB2))

2.800
2.000
2.000 peak
6732
weight
0.10000E+01 volume
0.19396E+01 ppm1
3.944
ppm2
1.404

ASSI {6742}

((segid “PROT” and resid 11 and name HD1))

((segid “PROT” and resid 11 and name HB1))

2.500
1.600
1.600 peak
6742
weight
0.10000E+01 volume
0.38499E+01 ppm1
3.937
ppm2
2.367

ASSI {6802}

((segid “PROT” and resid 19 and name HD1))

((segid “PROT” and resid 19 and name HB2))

2.700
1.800
1.800 peak
6802
weight
0.10000E+01 volume
0.24759E+01 ppm1
1.636
ppm2
1.405

ASSI {6822}

((segid “PROT” and resid 104 and name HG1))

((segid “PROT” and resid 104 and name HB1))

2.100
1.100
1.100 peak
6822
weight
0.10000E+01 volume
0.11956E+02 ppm1
1.557
ppm2
1.957

ASSI {6832}

((segid “PROT” and resid 14 and name HG))

((segid “PROT” and resid 8 and name HB2))

2.200
1.200
1.200 peak
6832
weight
0.10000E+01 volume
0.10296E+02 ppm1
1.456
ppm2
1.895

ASSI {6842}

((segid “PROT” and resid 19 and name HB2))

((segid “PROT” and resid 19 and name HB1))

2.100
1.100
1.100 peak
6842
weight
0.10000E+01 volume
0.10486E+02 ppm1
1.412
ppm2
1.745

ASSI {6852}

((segid “PROT” and resid 111 and name HG2))

((segid “PROT” and resid 111 and name HB1))

2.400
1.400
1.400 peak
6852
weight
0.10000E+01 volume
0.49775E+01 ppm1
1.346
ppm2
1.886

ASSI {6862}

((segid “PROT” and resid 19 and name HG1))

((segid “PROT” and resid 19 and name HB1))

2.200
1.200
1.200 peak
6862
weight
0.10000E+01 volume
0.90954E+01 ppm1
1.337
ppm2
1.761

ASSI {6872}

(segid “PROT” and resid 63 and name HD1%)

((segid “PROT” and resid 19 and name HB2))

2.600
1.700
1.700 peak
6872
weight
0.10000E+01 volume
0.32948E+01 ppm1
0.920
ppm2
1.410

ASSI {6902}

((segid “PROT” and resid 11 and name HA))

((segid “PROT” and resid 11 and name HB2))

2.000
1.000
1.000 peak
6902
weight
0.10000E+01 volume
0.13888E+02 ppm1
4.376
ppm2
2.086

ASSI {6912}

((segid “PROT” and resid 70 and name HB1))

((segid “PROT” and resid 8 and name HB2))

2.400
2.400
2.100 peak
6912
weight
0.10000E+01 volume
0.52516E+01 ppm1
4.239
ppm2
1.913

ASSI {6952}

((segid “PROT” and resid 8 and name HD2))

((segid “PROT” and resid 8 and name HB1))

2.600
1.700
1.700 peak
6952
weight
0.10000E+01 volume
0.29567E+01 ppm1
3.713
ppm2
2.281

ASSI {6962}

((segid “PROT” and resid 19 and name HA))

((segid “PROT” and resid 19 and name HB1))

2.500
1.600
1.600 peak
6962
weight
0.10000E+01 volume
0.38082E+01 ppm1
3.713
ppm2
1.728

ASSI {6972}

((segid “PROT” and resid 101 and name HA))

((segid “PROT” and resid 104 and name HB1))

2.600
1.700
1.700 peak
6972
weight
0.10000E+01 volume
0.30264E+01 ppm1
3.697
ppm2
1.968

ASSI {6992}

((segid “PROT” and resid 107 and name HB1))

((segid “PROT” and resid 104 and name HB1))

3.000
2.200
2.200 peak
6992
weight
0.10000E+01 volume
0.15093E+01 ppm1
3.092
ppm2
1.960

ASSI {7002}

((segid “PROT” and resid 104 and name HE1))

((segid “PROT” and resid 104 and name HB1))

2.600
1.700
1.700 peak
7002
weight
0.10000E+01 volume
0.33778E+01 ppm1
3.034
ppm2
1.925

ASSI {7012}

((segid “PROT” and resid 28 and name HB2))

((segid “PROT” and resid 28 and name HB1))

2.400
1.400
1.400 peak
7012
weight
0.10000E+01 volume
0.48156E+01 ppm1
2.819
ppm2
3.020

ASSI {7042}

((segid “PROT” and resid 19 and name HG1))

((segid “PROT” and resid 19 and name HB2))

2.300
1.300
1.300 peak
7042
weight
0.10000E+01 volume
0.66324E+01 ppm1
1.309
ppm2
1.420

ASSI {7052}

(segid “PROT” and resid 63 and name HD1%)

((segid “PROT” and resid 19 and name HB1))

2.800
2.000
2.000 peak
7052
weight
0.10000E+01 volume
0.21494E+01 ppm1
0.915
ppm2
1.742

ASSI {7062}

(segid “PROT” and resid 14 and name HD1%)

((segid “PROT” and resid 8 and name HB2))

2.400
1.400
1.400 peak
7062
weight
0.10000E+01 volume
0.52317E+01 ppm1
0.836
ppm2
1.906

ASSI {7152}

((segid “PROT” and resid 37 and name HB1))

((segid “PROT” and resid 37 and name HB2))

2.100
1.100
1.100 peak
7152
weight
0.10000E+01 volume
0.11186E+02 ppm1
2.376
ppm2
1.703

ASSI {7162}

((segid “PROT” and resid 8 and name HB1))

((segid “PROT” and resid 8 and name HB2))

1.900
0.900
0.900 peak
7162
weight
0.10000E+01 volume
0.19399E+02 ppm1
2.291
ppm2
1.917

ASSI {7202}

((segid “PROT” and resid 57 and name HG1))

((segid “PROT” and resid 37 and name HB1))

2.800
2.000
2.000 peak
7202
weight
0.10000E+01 volume
0.23225E+01 ppm1
1.533
ppm2
2.381

ASSI {7212}

((segid “PROT” and resid 14 and name HG))

((segid “PROT” and resid 8 and name HB1))

2.800
2.000
2.000 peak
7212
weight
0.10000E+01 volume
0.21068E+01 ppm1
1.460
ppm2
2.341

ASSI {7232}

((segid “PROT” and resid 44 and name HA))

((segid “PROT” and resid 44 and name HB1))

2.300
1.300
1.300 peak
7232
weight
0.10000E+01 volume
0.61173E+01 ppm1
4.550
ppm2
2.417

ASSI {7252}

((segid “PROT” and resid 44 and name HD1))

((segid “PROT” and resid 44 and name HB2))

3.000
2.200
2.200 peak
7252
weight
0.10000E+01 volume
0.15117E+01 ppm1
3.843
ppm2
2.051

ASSI {7262}

((segid “PROT” and resid 91 and name HG1))

((segid “PROT” and resid 91 and name HB1))

2.400
1.400
1.400 peak
7262
weight
0.10000E+01 volume
0.59619E+01 ppm1
1.990
ppm2
1.628

ASSI {7302}

((segid “PROT” and resid 109 and name HG1))

((segid “PROT” and resid 109 and name HB2))

2.600
1.700
1.700 peak
7302
weight
0.10000E+01 volume
0.36664E+01 ppm1
0.853
ppm2
1.586

ASSI {7312}

((segid “PROT” and resid 36 and name HA))

((segid “PROT” and resid 36 and name HB1))

2.900
2.100
2.100 peak
7312
weight
0.10000E+01 volume
0.17361E+01 ppm1
4.873
ppm2
2.145

ASSI {7322}

((segid “PROT” and resid 36 and name HA))

((segid “PROT” and resid 36 and name HB2))

2.900
2.100
2.100 peak
7322
weight
0.10000E+01 volume
0.18767E+01 ppm1
4.866
ppm2
1.802

ASSI {7332}

((segid “PROT” and resid 69 and name HA))

((segid “PROT” and resid 69 and name HB))

2.100
1.100
1.100 peak
7332
weight
0.10000E+01 volume
0.11082E+02 ppm1
4.121
ppm2
2.350

ASSI {7342}

((segid “PROT” and resid 36 and name HG1))

((segid “PROT” and resid 36 and name HB2))

2.000
1.000
1.000 peak
7342
weight
0.10000E+01 volume
0.14522E+02 ppm1
2.193
ppm2
1.800

ASSI {7352}

((segid “PROT” and resid 36 and name HB2))

((segid “PROT” and resid 36 and name HB1))

2.000
1.000
1.000 peak
7352
weight
0.10000E+01 volume
0.13927E+02 ppm1
1.804
ppm2
2.149

ASSI {7392}

((segid “PROT” and resid 54 and name HG1))

((segid “PROT” and resid 54 and name HB2))

2.900
2.100
2.100 peak
7392
weight
0.10000E+01 volume
0.16439E+01 ppm1
2.747
ppm2
1.390

ASSI {7402}

((segid “PROT” and resid 54 and name HG1))

((segid “PROT” and resid 54 and name HB1))

2.900
2.100
2.100 peak
7402
weight
0.10000E+01 volume
0.16583E+01 ppm1
2.739
ppm2
2.035

ASSI {7412}

((segid “PROT” and resid 90 and name HB1))

((segid “PROT” and resid 90 and name HB2))

2.100
1.100
1.100 peak
7412
weight
0.10000E+01 volume
0.12123E+02 ppm1
2.347
ppm2
2.182

ASSI {7422}

((segid “PROT” and resid 54 and name HB1))

((segid “PROT” and resid 54 and name HB2))

2.600
1.700
1.700 peak
7422
weight
0.10000E+01 volume
0.35394E+01 ppm1
2.028
ppm2
1.380

ASSI {7452}

((segid “PROT” and resid 42 and name HA))

((segid “PROT” and resid 42 and name HB2))

2.600
1.700
1.700 peak
7452
weight
0.10000E+01 volume
0.33452E+01 ppm1
4.508
ppm2
2.075

ASSI {7462}

((segid “PROT” and resid 9 and name HA))

((segid “PROT” and resid 9 and name HB1))

2.300
1.300
1.300 peak
7462
weight
0.10000E+01 volume
0.64998E+01 ppm1
4.364
ppm2
1.873

ASSI {7492}

((segid “PROT” and resid 81 and name HA))

((segid “PROT” and resid 81 and name HB))

2.700
1.800
1.800 peak
7492
weight
0.10000E+01 volume
0.25831E+01 ppm1
3.126
ppm2
1.465

ASSI {7502}

((segid “PROT” and resid 54 and name HG1))

((segid “PROT” and resid 54 and name HG2))

2.600
1.700
1.700 peak
7502
weight
0.10000E+01 volume
0.36087E+01 ppm1
2.746
ppm2
1.897

ASSI {7532}

(segid “PROT” and resid 81 and name HG1%)

((segid “PROT” and resid 54 and name HG2))

2.800
2.000
2.000 peak
7532
weight
0.10000E+01 volume
0.21318E+01 ppm1
0.508
ppm2
1.898

ASSI {7602}

((segid “PROT” and resid 51 and name HD1))

((segid “PROT” and resid 51 and name HB2))

2.700
1.800
1.800 peak
7602
weight
0.10000E+01 volume
0.27404E+01 ppm1
3.022
ppm2
1.212

ASSI {7612}

((segid “PROT” and resid 57 and name HE2))

((segid “PROT” and resid 57 and name HB2))

2.600
1.700
1.700 peak
7612
weight
0.10000E+01 volume
0.31496E+01 ppm1
2.081
ppm2
1.144

ASSI {7632}

((segid “PROT” and resid 51 and name HB2))

((segid “PROT” and resid 51 and name HB1))

1.900
0.900
0.900 peak
7632
weight
0.10000E+01 volume
0.23953E+02 ppm1
1.213
ppm2
1.384

ASSI {7652}

((segid “PROT” and resid 87 and name HA))

((segid “PROT” and resid 87 and name HB1))

2.200
1.200
1.200 peak
7652
weight
0.10000E+01 volume
0.80014E+01 ppm1
4.343
ppm2
2.226

ASSI {7662}

((segid “PROT” and resid 87 and name HA))

((segid “PROT” and resid 87 and name HB2))

2.200
1.200
1.200 peak
7662
weight
0.10000E+01 volume
0.87899E+01 ppm1
4.341
ppm2
2.060

ASSI {7682}

((segid “PROT” and resid 87 and name HG2))

((segid “PROT” and resid 87 and name HB2))

1.700
0.700
0.700 peak
7682
weight
0.10000E+01 volume
0.37037E+02 ppm1
2.240
ppm2
2.075

ASSI {7692}

(segid “PROT” and resid 113 and name HB%)

((segid “PROT” and resid 112 and name HB1))

2.500
1.600
1.600 peak
7692
weight
0.10000E+01 volume
0.37285E+01 ppm1
1.414
ppm2
2.097

ASSI {7702}

((segid “PROT” and resid 33 and name HB1))

((segid “PROT” and resid 33 and name HB2))

3.000
2.200
2.200 peak
7702
weight
0.10000E+01 volume
0.15063E+01 ppm1
1.078
ppm2
−0.431

ASSI {7712}

(segid “PROT” and resid 49 and name HG2%)

((segid “PROT” and resid 87 and name HB2))

2.900
2.100
2.100 peak
7712
weight
0.10000E+01 volume
0.15587E+01 ppm1
0.905
ppm2
2.080

ASSI {7762}

((segid “PROT” and resid 104 and name HA))

((segid “PROT” and resid 103 and name HG2))

2.200
1.200
1.200 peak
7762
weight
0.10000E+01 volume
0.86935E+01 ppm1
4.098
ppm2
1.957

ASSI {7772}

((segid “PROT” and resid 112 and name HA))

((segid “PROT” and resid 112 and name HB1))

2.000
1.000
1.000 peak
7772
weight
0.10000E+01 volume
0.14908E+02 ppm1
4.024
ppm2
2.107

ASSI {7832}

((segid “PROT” and resid 103 and name HG2))

((segid “PROT” and resid 103 and name HB2))

2.500
1.600
1.600 peak
7832
weight
0.10000E+01 volume
0.43617E+01 ppm1
1.952
ppm2
1.324

ASSI {7842}

((segid “PROT” and resid 103 and name HB1))

((segid “PROT” and resid 103 and name HB2))

2.100
1.100
1.100 peak
7842
weight
0.10000E+01 volume
0.10363E+02 ppm1
1.792
ppm2
1.333

ASSI {7902}

((segid “PROT” and resid 7 and name HA))

((segid “PROT” and resid 7 and name HB1))

2.700
1.800
1.800 peak
7902
weight
0.10000E+01 volume
0.24043E+01 ppm1
4.586
ppm2
2.070

ASSI {7912}

((segid “PROT” and resid 7 and name HA))

((segid “PROT” and resid 7 and name HB2))

2.800
2.000
2.000 peak
7912
weight
0.10000E+01 volume
0.21766E+01 ppm1
4.585
ppm2
1.943

ASSI {7942}

((segid “PROT” and resid 24 and name HA))

((segid “PROT” and resid 24 and name HB1))

2.600
1.700
1.700 peak
7942
weight
0.10000E+01 volume
0.31104E+01 ppm1
4.221
ppm2
2.495

ASSI {7972}

((segid “PROT” and resid 8 and name HD2))

((segid “PROT” and resid 7 and name HB1))

2.900
2.100
2.100 peak
7972
weight
0.10000E+01 volume
0.17393E+01 ppm1
3.717
ppm2
2.078

ASSI {7992}

((segid “PROT” and resid 111 and name HE1))

((segid “PROT” and resid 111 and name HD1))

2.100
1.100
1.100 peak
7992
weight
0.10000E+01 volume
0.13020E+02 ppm1
2.959
ppm2
1.646

ASSI {8002}

((segid “PROT” and resid 24 and name HG1))

((segid “PROT” and resid 24 and name HB1))

2.500
1.600
1.600 peak
8002
weight
0.10000E+01 volume
0.39707E+01 ppm1
2.890
ppm2
2.505

ASSI {8022}

((segid “PROT” and resid 24 and name HG2))

((segid “PROT” and resid 24 and name HB2))

2.200
1.200
1.200 peak
8022
weight
0.10000E+01 volume
0.10130E+02 ppm1
2.510
ppm2
2.415

ASSI {8042}

((segid “PROT” and resid 24 and name HB2))

((segid “PROT” and resid 24 and name HB1))

2.400
1.400
1.400 peak
8042
weight
0.10000E+01 volume
0.59198E+01 ppm1
2.416
ppm2
2.519

ASSI {8052}

((segid “PROT” and resid 112 and name HG1))

((segid “PROT” and resid 112 and name HB1))

1.800
0.800
0.800 peak
8052
weight
0.10000E+01 volume
0.25596E+02 ppm1
2.396
ppm2
2.120

ASSI {8082}

((segid “PROT” and resid 111 and name HG2))

((segid “PROT” and resid 111 and name HD1))

2.000
1.000
1.000 peak
8082
weight
0.10000E+01 volume
0.17175E+02 ppm1
1.323
ppm2
1.639

ASSI {8092}

(segid “PROT” and resid 63 and name HD1%)

((segid “PROT” and resid 19 and name HD1))

2.700
1.800
1.800 peak
8092
weight
0.10000E+01 volume
0.28800E+01 ppm1
0.916
ppm2
1.647

ASSI {8112}

((segid “PROT” and resid 64 and name HA))

((segid “PROT” and resid 64 and name HD1))

2.600
1.700
1.700 peak
8112
weight
0.10000E+01 volume
0.36099E+01 ppm1
4.372
ppm2
1.788

ASSI {8142}

((segid “PROT” and resid 80 and name HD1))

((segid “PROT” and resid 80 and name HB2))

2.900
2.100
2.100 peak
8142
weight
0.10000E+01 volume
0.16213E+01 ppm1
3.407
ppm2
1.957

ASSI {8172}

((segid “PROT” and resid 61 and name HG2))

((segid “PROT” and resid 57 and name HE2))

1.700
1.700
2.800 peak
8172
weight
0.10000E+01 volume
0.41822E+02 ppm1
2.258
ppm2
2.109

ASSI {8192}

((segid “PROT” and resid 101 and name HG11))

((segid “PROT” and resid 101 and name HG12))

2.100
1.100
1.100 peak
8192
weight
0.10000E+01 volume
0.11529E+02 ppm1
1.893
ppm2
1.242

ASSI {8252}

((segid “PROT” and resid 104 and name HA))

((segid “PROT” and resid 104 and name HD1))

2.300
1.300
1.300 peak
8252
weight
0.10000E+01 volume
0.66354E+01 ppm1
4.101
ppm2
1.755

ASSI {8272}

((segid “PROT” and resid 104 and name HE1))

((segid “PROT” and resid 104 and name HD1))

1.800
0.800
0.800 peak
8272
weight
0.10000E+01 volume
0.33570E+02 ppm1
3.023
ppm2
1.747

ASSI {8282}

((segid “PROT” and resid 57 and name HE2))

((segid “PROT” and resid 57 and name HD2))

2.800
2.000
2.000 peak
8282
weight
0.10000E+01 volume
0.22756E+01 ppm1
2.085
ppm2
0.913

ASSI {8292}

((segid “PROT” and resid 104 and name HB1))

((segid “PROT” and resid 104 and name HD1))

2.000
1.000
1.000 peak
8292
weight
0.10000E+01 volume
0.18472E+02 ppm1
1.961
ppm2
1.747

ASSI {8312}

((segid “PROT” and resid 104 and name HG1))

((segid “PROT” and resid 104 and name HD1))

1.700
1.700
2.800 peak
8312
weight
0.10000E+01 volume
0.40675E+02 ppm1
1.554
ppm2
1.741

ASSI {8322}

((segid “PROT” and resid 104 and name HG2))

((segid “PROT” and resid 104 and name HD1))

1.600
1.600
2.900 peak
8322
weight
0.10000E+01 volume
0.59831E+02 ppm1
1.468
ppm2
1.706

ASSI {8332}

((segid “PROT” and resid 57 and name HD2))

((segid “PROT” and resid 57 and name HD1))

2.600
1.700
1.700 peak
8332
weight
0.10000E+01 volume
0.35657E+01 ppm1
0.915
ppm2
1.760

ASSI {8342}

((segid “PROT” and resid 61 and name HA))

((segid “PROT” and resid 61 and name HB1))

2.300
1.300
1.300 peak
8342
weight
0.10000E+01 volume
0.77843E+01 ppm1
4.093
ppm2
2.248

ASSI {8352}

((segid “PROT” and resid 79 and name HA))

((segid “PROT” and resid 79 and name HB1))

2.300
1.300
1.300 peak
8352
weight
0.10000E+01 volume
0.66007E+01 ppm1
3.864
ppm2
2.222

ASSI {8362}

((segid “PROT” and resid 79 and name HA))

((segid “PROT” and resid 79 and name HB2))

2.300
1.300
1.300 peak
8362
weight
0.10000E+01 volume
0.61698E+01 ppm1
3.862
ppm2
2.112

ASSI {8372}

((segid “PROT” and resid 94 and name HA))

((segid “PROT” and resid 94 and name HB1))

1.900
0.900
0.900 peak
8372
weight
0.10000E+01 volume
0.24388E+02 ppm1
4.244
ppm2
2.144

ASSI {8382}

((segid “PROT” and resid 10 and name HB1))

((segid “PROT” and resid 13 and name HB1))

2.600
1.700
1.700 peak
8382
weight
0.10000E+01 volume
0.29895E+01 ppm1
2.798
ppm2
2.191

ASSI {8392}

((segid “PROT” and resid 13 and name HG1))

((segid “PROT” and resid 13 and name HB1))

2.000
1.000
1.000 peak
8392
weight
0.10000E+01 volume
0.13858E+02 ppm1
2.536
ppm2
2.194

ASSI {8402}

((segid “PROT” and resid 13 and name HG2))

((segid “PROT” and resid 13 and name HB1))

1.800
0.800
0.800 peak
8402
weight
0.10000E+01 volume
0.32827E+02 ppm1
2.431
ppm2
2.183

ASSI {8472}

((segid “PROT” and resid 106 and name HB2))

((segid “PROT” and resid 21 and name HG11))

2.400
2.400
2.100 peak
8472
weight
0.10000E+01 volume
0.49094E+01 ppm1
3.161
ppm2
1.823

ASSI {8482}

((segid “PROT” and resid 21 and name HB))

((segid “PROT” and resid 21 and name HG11))

2.000
1.000
1.000 peak
8482
weight
0.10000E+01 volume
0.13836E+02 ppm1
1.954
ppm2
1.787

ASSI {8512}

((segid “PROT” and resid 21 and name HG12))

((segid “PROT” and resid 21 and name HG11))

2.100
1.100
1.100 peak
8512
weight
0.10000E+01 volume
0.11436E+02 ppm1
1.070
ppm2
1.790

ASSI {8542}

((segid “PROT” and resid 20 and name HA))

((segid “PROT” and resid 23 and name HB1))

2.600
1.700
1.700 peak
8542
weight
0.10000E+01 volume
0.33979E+01 ppm1
4.328
ppm2
2.370

ASSI {8552}

((segid “PROT” and resid 20 and name HA))

((segid “PROT” and resid 23 and name HB2))

2.600
1.700
1.700 peak
8552
weight
0.10000E+01 volume
0.34588E+01 ppm1
4.325
ppm2
2.260

ASSI {8562}

((segid “PROT” and resid 23 and name HA))

((segid “PROT” and resid 23 and name HB1))

2.300
1.300
1.300 peak
8562
weight
0.10000E+01 volume
0.72048E+01 ppm1
4.066
ppm2
2.368

ASSI {8592}

((segid “PROT” and resid 23 and name HG2))

((segid “PROT” and resid 23 and name HB1))

2.300
1.300
1.300 peak
8592
weight
0.10000E+01 volume
0.65153E+01 ppm1
2.490
ppm2
2.359

ASSI {8602}

((segid “PROT” and resid 23 and name HB1))

((segid “PROT” and resid 23 and name HB2))

1.900
0.900
0.900 peak
8602
weight
0.10000E+01 volume
0.20845E+02 ppm1
2.371
ppm2
2.263

ASSI {8652}

((segid “PROT” and resid 53 and name HA))

((segid “PROT” and resid 53 and name HG2))

2.800
2.000
2.000 peak
8652
weight
0.10000E+01 volume
0.23066E+01 ppm1
4.123
ppm2
1.937

ASSI {8682}

((segid “PROT” and resid 32 and name HB1))

((segid “PROT” and resid 32 and name HB2))

2.400
1.400
1.400 peak
8682
weight
0.10000E+01 volume
0.48514E+01 ppm1
3.640
ppm2
3.407

ASSI {8712}

((segid “PROT” and resid 53 and name HG1))

((segid “PROT” and resid 53 and name HG2))

2.000
1.000
1.000 peak
8712
weight
0.10000E+01 volume
0.17544E+02 ppm1
2.274
ppm2
1.953

ASSI {8752}

((segid “PROT” and resid 44 and name HA))

((segid “PROT” and resid 44 and name HG2))

2.600
1.700
1.700 peak
8752
weight
0.10000E+01 volume
0.31327E+01 ppm1
4.552
ppm2
2.078

ASSI {8762}

((segid “PROT” and resid 44 and name HA))

((segid “PROT” and resid 44 and name HG1))

2.900
2.100
2.100 peak
8762
weight
0.10000E+01 volume
0.18869E+01 ppm1
4.546
ppm2
2.204

ASSI {8772}

((segid “PROT” and resid 66 and name HA))

((segid “PROT” and resid 66 and name HG1))

2.600
1.700
1.700 peak
8772
weight
0.10000E+01 volume
0.35462E+01 ppm1
4.442
ppm2
1.614

ASSI {8792}

((segid “PROT” and resid 44 and name HD2))

((segid “PROT” and resid 44 and name HG2))

2.600
1.700
1.700 peak
8792
weight
0.10000E+01 volume
0.37158E+01 ppm1
3.569
ppm2
2.086

ASSI {8812}

((segid “PROT” and resid 66 and name HD1))

((segid “PROT” and resid 66 and name HG1))

2.500
1.600
1.600 peak
8812
weight
0.10000E+01 volume
0.43300E+01 ppm1
3.103
ppm2
1.614

ASSI {8822}

((segid “PROT” and resid 66 and name HB1))

((segid “PROT” and resid 66 and name HG2))

2.300
1.300
1.300 peak
8822
weight
0.10000E+01 volume
0.67305E+01 ppm1
2.133
ppm2
1.573

ASSI {8832}

((segid “PROT” and resid 66 and name HB2))

((segid “PROT” and resid 66 and name HG2))

2.400
1.400
1.400 peak
8832
weight
0.10000E+01 volume
0.56248E+01 ppm1
2.050
ppm2
1.575

ASSI {8862}

((segid “PROT” and resid 78 and name HB2))

((segid “PROT” and resid 78 and name HG))

2.400
1.400
1.400 peak
8862
weight
0.10000E+01 volume
0.56132E+01 ppm1
0.474
ppm2
0.694

ASSI {8892}

((segid “PROT” and resid 10 and name HA))

((segid “PROT” and resid 11 and name HG1))

2.900
2.100
2.100 peak
8892
weight
0.10000E+01 volume
0.15699E+01 ppm1
4.919
ppm2
2.106

ASSI {8902}

((segid “PROT” and resid 8 and name HA))

((segid “PROT” and resid 8 and name HG1))

2.500
1.600
1.600 peak
8902
weight
0.10000E+01 volume
0.38281E+01 ppm1
4.463
ppm2
2.061

ASSI {8912}

((segid “PROT” and resid 11 and name HA))

((segid “PROT” and resid 11 and name HG1))

2.500
1.600
1.600 peak
8912
weight
0.10000E+01 volume
0.41483E+01 ppm1
4.376
ppm2
2.096

ASSI {8932}

((segid “PROT” and resid 11 and name HD1))

((segid “PROT” and resid 11 and name HG1))

2.000
1.000
1.000 peak
8932
weight
0.10000E+01 volume
0.15330E+02 ppm1
3.902
ppm2
2.097

ASSI {8962}

((segid “PROT” and resid 91 and name HA))

((segid “PROT” and resid 91 and name HG2))

2.800
2.000
2.000 peak
8962
weight
0.10000E+01 volume
0.19450E+01 ppm1
2.589
ppm2
1.708

ASSI {8972}

((segid “PROT” and resid 11 and name HB1))

((segid “PROT” and resid 11 and name HG1))

2.000
1.000
1.000 peak
8972
weight
0.10000E+01 volume
0.17135E+02 ppm1
2.382
ppm2
2.098

ASSI {8982}

((segid “PROT” and resid 8 and name HB1))

((segid “PROT” and resid 8 and name HG1))

1.800
0.800
0.800 peak
8982
weight
0.10000E+01 volume
0.27927E+02 ppm1
2.290
ppm2
2.056

ASSI {8992}

((segid “PROT” and resid 8 and name HB2))

((segid “PROT” and resid 8 and name HG1))

2.100
1.100
1.100 peak
8992
weight
0.10000E+01 volume
0.11694E+02 ppm1
1.923
ppm2
2.056

ASSI {9002}

((segid “PROT” and resid 91 and name HG2))

((segid “PROT” and resid 91 and name HG1))

2.000
1.000
1.000 peak
9002
weight
0.10000E+01 volume
0.16829E+02 ppm1
1.710
ppm2
1.994

ASSI {9022}

(segid “PROT” and resid 73 and name HD1%)

((segid “PROT” and resid 73 and name HG))

2.100
1.100
1.100 peak
9022
weight
0.10000E+01 volume
0.10664E+02 ppm1
0.971
ppm2
1.797

ASSI {9032}

(segid “PROT” and resid 73 and name HD2%)

((segid “PROT” and resid 73 and name HG))

2.100
1.100
1.100 peak
9032
weight
0.10000E+01 volume
0.10796E+02 ppm1
0.932
ppm2
1.808

ASSI {9042}

(segid “PROT” and resid 14 and name HD2%)

((segid “PROT” and resid 8 and name HG1))

2.800
2.000
2.000 peak
9042
weight
0.10000E+01 volume
0.20174E+01 ppm1
0.832
ppm2
2.058

ASSI {9062}

((segid “PROT” and resid 9 and name HA))

((segid “PROT” and resid 9 and name HG1))

2.500
1.600
1.600 peak
9062
weight
0.10000E+01 volume
0.42875E+01 ppm1
4.362
ppm2
1.682

ASSI {9072}

((segid “PROT” and resid 115 and name HA))

((segid “PROT” and resid 115 and name HG))

2.700
1.800
1.800 peak
9072
weight
0.10000E+01 volume
0.26718E+01 ppm1
4.257
ppm2
1.567

ASSI {9092}

((segid “PROT” and resid 9 and name HD1))

((segid “PROT” and resid 9 and name HG1))

2.300
1.300
1.300 peak
9092
weight
0.10000E+01 volume
0.71572E+01 ppm1
3.224
ppm2
1.693

ASSI {9122}

((segid “PROT” and resid 22 and name HB1))

((segid “PROT” and resid 22 and name HG))

2.300
1.300
1.300 peak
9122
weight
0.10000E+01 volume
0.64668E+01 ppm1
2.122
ppm2
1.784

ASSI {9132}

((segid “PROT” and resid 80 and name HB1))

((segid “PROT” and resid 80 and name HG1))

1.900
0.900
0.900 peak
9132
weight
0.10000E+01 volume
0.21048E+02 ppm1
2.009
ppm2
1.780

ASSI {9142}

((segid “PROT” and resid 9 and name HB1))

((segid “PROT” and resid 9 and name HG1))

1.900
0.900
0.900 peak
9142
weight
0.10000E+01 volume
0.23404E+02 ppm1
1.864
ppm2
1.689

ASSI {9152}

((segid “PROT” and resid 37 and name HB2))

((segid “PROT” and resid 37 and name HG1))

2.500
1.600
1.600 peak
9152
weight
0.10000E+01 volume
0.37817E+01 ppm1
1.704
ppm2
2.175

ASSI {9172}

(segid “PROT” and resid 115 and name HD1%)

((segid “PROT” and resid 115 and name HG))

2.000
1.000
1.000 peak
9172
weight
0.10000E+01 volume
0.15406E+02 ppm1
0.766
ppm2
1.571

ASSI {9192}

(segid “PROT” and resid 110 and name HG2%)

((segid “PROT” and resid 115 and name HG))

2.900
2.100
2.100 peak
9192
weight
0.10000E+01 volume
0.16502E+01 ppm1
0.684
ppm2
1.556

ASSI {9202}

(segid “PROT” and resid 15 and name HE%)

(segid “PROT” and resid 63 and name HD1%)

2.600
1.700
1.700 peak
9202
weight
0.10000E+01 volume
0.29945E+01 ppm1
6.925
ppm2
0.919

ASSI {9212}

((segid “PROT” and resid 35 and name HA))

(segid “PROT” and resid 56 and name HD1%)

2.700
1.800
1.800 peak
9212
weight
0.10000E+01 volume
0.25843E+01 ppm1
4.340
ppm2
0.976

ASSI {9222}

((segid “PROT” and resid 116 and name HA))

((segid “PROT” and resid 116 and name HG11))

2.800
2.000
2.000 peak
9222
weight
0.10000E+01 volume
0.19299E+01 ppm1
4.274
ppm2
1.350

ASSI {9232}

((segid “PROT” and resid 116 and name HA))

((segid “PROT” and resid 116 and name HG12))

2.700
1.800
1.800 peak
9232
weight
0.10000E+01 volume
0.25639E+01 ppm1
4.273
ppm2
0.964

ASSI {9242}

((segid “PROT” and resid 56 and name HA))

(segid “PROT” and resid 56 and name HD1%)

2.600
1.700
1.700 peak
9242
weight
0.10000E+01 volume
0.30591E+01 ppm1
4.078
ppm2
0.966

ASSI {9272}

((segid “PROT” and resid 26 and name HA))

(segid “PROT” and resid 56 and name HD1%)

2.500
1.600
1.600 peak
9272
weight
0.10000E+01 volume
0.37902E+01 ppm1
3.935
ppm2
0.976

ASSI {9352}

((segid “PROT” and resid 34 and name HB2))

(segid “PROT” and resid 56 and name HD1%)

2.700
1.800
1.800 peak
9352
weight
0.10000E+01 volume
0.23627E+01 ppm1
2.636
ppm2
0.979

ASSI {9382}

(segid “PROT” and resid 35 and name HE%)

(segid “PROT” and resid 56 and name HD1%)

2.700
1.800
1.800 peak
9382
weight
0.10000E+01 volume
0.24784E+01 ppm1
2.218
ppm2
0.976

ASSI {9392}

((segid “PROT” and resid 112 and name HB1))

((segid “PROT” and resid 109 and name HD1))

2.700
1.800
1.800 peak
9392
weight
0.10000E+01 volume
0.25178E+01 ppm1
2.113
ppm2
1.417

ASSI {9402}

((segid “PROT” and resid 56 and name HB1))

(segid “PROT” and resid 56 and name HD1%)

2.500
1.600
1.600 peak
9402
weight
0.10000E+01 volume
0.42717E+01 ppm1
2.108
ppm2
0.974

ASSI {9422}

((segid “PROT” and resid 116 and name HB))

((segid “PROT” and resid 116 and name HG11))

2.400
1.400
1.400 peak
9422
weight
0.10000E+01 volume
0.48995E+01 ppm1
1.853
ppm2
1.353

ASSI {9442}

((segid “PROT” and resid 56 and name HG))

(segid “PROT” and resid 56 and name HD1%)

2.100
1.100
1.100 peak
9442
weight
0.10000E+01 volume
0.12057E+02 ppm1
1.763
ppm2
0.967

ASSI {9462}

((segid “PROT” and resid 56 and name HB2))

(segid “PROT” and resid 56 and name HD1%)

2.500
1.600
1.600 peak
9462
weight
0.10000E+01 volume
0.42508E+01 ppm1
1.450
ppm2
0.967

ASSI {9482}

((segid “PROT” and resid 116 and name HG11))

((segid “PROT” and resid 116 and name HG12))

1.900
0.900
0.900 peak
9482
weight
0.10000E+01 volume
0.19352E+02 ppm1
1.347
ppm2
0.964

ASSI {9492}

((segid “PROT” and resid 51 and name HB2))

((segid “PROT” and resid 51 and name HG1))

1.900
0.900
0.900 peak
9492
weight
0.10000E+01 volume
0.20832E+02 ppm1
1.212
ppm2
1.350

ASSI {9512}

(segid “PROT” and resid 63 and name HD2%)

(segid “PROT” and resid 63 and name HD1%)

1.900
0.900
0.900 peak
9512
weight
0.10000E+01 volume
0.20111E+02 ppm1
1.080
ppm2
0.919

ASSI {9542}

(segid “PROT” and resid 14 and name HD1%)

((segid “PROT” and resid 14 and name HG))

2.000
1.000
1.000 peak
9542
weight
0.10000E+01 volume
0.14691E+02 ppm1
0.846
ppm2
1.439

ASSI {9582}

((segid “PROT” and resid 34 and name HZ))

((segid “PROT” and resid 85 and name HB1))

2.700
1.800
1.800 peak
9582
weight
0.10000E+01 volume
0.27166E+01 ppm1
7.291
ppm2
3.407

ASSI {9592}

((segid “PROT” and resid 34 and name HZ))

((segid “PROT” and resid 85 and name HB2))

2.900
2.100
2.100 peak
9592
weight
0.10000E+01 volume
0.18097E+01 ppm1
7.295
ppm2
3.062

ASSI {9602}

(segid “PROT” and resid 82 and name HE%)

((segid “PROT” and resid 102 and name HG))

2.800
2.000
2.000 peak
9602
weight
0.10000E+01 volume
0.23143E+01 ppm1
6.462
ppm2
1.600

ASSI {9612}

((segid “PROT” and resid 85 and name HA))

((segid “PROT” and resid 85 and name HB1))

2.700
1.800
1.800 peak
9612
weight
0.10000E+01 volume
0.25087E+01 ppm1
4.515
ppm2
3.415

ASSI {9642}

((segid “PROT” and resid 98 and name HA))

((segid “PROT” and resid 98 and name HB2))

2.700
1.800
1.800 peak
9642
weight
0.10000E+01 volume
0.24656E+01 ppm1
4.220
ppm2
3.078

ASSI {9652}

((segid “PROT” and resid 85 and name HB1))

((segid “PROT” and resid 85 and name HB2))

2.200
1.200
1.200 peak
9652
weight
0.10000E+01 volume
0.83966E+01 ppm1
3.413
ppm2
3.084

ASSI {9692}

(segid “PROT” and resid 25 and name HG2%)

((segid “PROT” and resid 102 and name HG))

2.700
1.800
1.800 peak
9692
weight
0.10000E+01 volume
0.26216E+01 ppm1
1.068
ppm2
1.577

ASSI {9712}

((segid “PROT” and resid 60 and name HB1))

(segid “PROT” and resid 22 and name HD1%)

2.300
1.300
1.300 peak
9712
weight
0.10000E+01 volume
0.75192E+01 ppm1
4.243
ppm2
1.108

ASSI {9732}

((segid “PROT” and resid 60 and name HB2))

(segid “PROT” and resid 22 and name HD1%)

2.600
1.700
1.700 peak
9732
weight
0.10000E+01 volume
0.32675E+01 ppm1
4.068
ppm2
1.106

ASSI {9742}

((segid “PROT” and resid 110 and name HA))

((segid “PROT” and resid 110 and name HG11))

2.300
2.300
2.200 peak
9742
weight
0.10000E+01 volume
0.76467E+01 ppm1
3.864
ppm2
1.164

ASSI {9752}

((segid “PROT” and resid 22 and name HB1))

(segid “PROT” and resid 22 and name HD1%)

2.300
1.300
1.300 peak
9752
weight
0.10000E+01 volume
0.68112E+01 ppm1
2.133
ppm2
1.110

ASSI {9762}

((segid “PROT” and resid 22 and name HG))

(segid “PROT” and resid 22 and name HD1%)

2.100
1.100
1.100 peak
9762
weight
0.10000E+01 volume
0.12147E+02 ppm1
1.796
ppm2
1.106

ASSI {9832}

((segid “PROT” and resid 78 and name HA))

(segid “PROT” and resid 78 and name HD1%)

2.500
1.600
1.600 peak
9832
weight
0.10000E+01 volume
0.38272E+01 ppm1
3.413
ppm2
0.094

ASSI {9842}

(segid “PROT” and resid 25 and name HG1%)

(segid “PROT” and resid 78 and name HD1%)

2.400
1.400
1.400 peak
9842
weight
0.10000E+01 volume
0.54518E+01 ppm1
1.247
ppm2
0.094

ASSI {9852}

(segid “PROT” and resid 25 and name HG2%)

(segid “PROT” and resid 78 and name HD1%)

2.300
1.300
1.300 peak
9852
weight
0.10000E+01 volume
0.77910E+01 ppm1
1.063
ppm2
0.094

ASSI {9862}

((segid “PROT” and resid 78 and name HG))

(segid “PROT” and resid 78 and name HD1%)

2.100
1.100
1.100 peak
9862
weight
0.10000E+01 volume
0.12211E+02 ppm1
0.695
ppm2
0.096

ASSI {9872}

((segid “PROT” and resid 78 and name HB1))

(segid “PROT” and resid 78 and name HD1%)

2.300
1.300
1.300 peak
9872
weight
0.10000E+01 volume
0.76579E+01 ppm1
0.746
ppm2
0.098

ASSI {9882}

(segid “PROT” and resid 78 and name HD2%)

(segid “PROT” and resid 78 and name HD1%)

1.900
0.900
0.900 peak
9882
weight
0.10000E+01 volume
0.23626E+02 ppm1
0.198
ppm2
0.092

ASSI {9892}

(segid “PROT” and resid 68 and name HD%)

(segid “PROT” and resid 73 and name HD1%)

3.000
2.200
2.200 peak
9892
weight
0.10000E+01 volume
0.15029E+01 ppm1
7.197
ppm2
0.975

ASSI {9922}

((segid “PROT” and resid 68 and name HA))

(segid “PROT” and resid 73 and name HD1%)

2.700
1.800
1.800 peak
9922
weight
0.10000E+01 volume
0.24042E+01 ppm1
4.579
ppm2
0.973

ASSI {9932)

((segid “PROT” and resid 11 and name HA))

(segid “PROT” and resid 14 and name HD1%)

2.900
2.100
2.100 peak
9932
weight
0.10000E+01 volume
0.17985E+01 ppm1
4.374
ppm2
0.853

ASSI {9942}

((segid “PROT” and resid 73 and name HA))

(segid “PROT” and resid 73 and name HD1%)

2.600
1.700
1.700 peak
9942
weight
0.10000E+01 volume
0.35846E+01 ppm1
4.253
ppm2
0.976

ASSI {9962}

((segid “PROT” and resid 14 and name HA))

(segid “PROT” and resid 14 and name HD1%)

2.400
1.400
1.400 peak
9962
weight
0.10000E+01 volume
0.48248E+01 ppm1
4.104
ppm2
0.849

ASSI {9972}

((segid “PROT” and resid 70 and name HB2))

(segid “PROT” and resid 73 and name HD1%)

2.800
2.000
2.000 peak
9972
weight
0.10000E+01 volume
0.22200E+01 ppm1
3.786
ppm2
0.978

ASSI {9992}

((segid “PROT” and resid 73 and name HB1))

(segid “PROT” and resid 73 and name HD1%)

2.300
1.300
1.300 peak
9992
weight
0.10000E+01 volume
0.72852E+01 ppm1
2.029
ppm2
0.973

ASSI {10002}

((segid “PROT” and resid 73 and name HB2))

(segid “PROT” and resid 73 and name HD1%)

2.300
1.300
1.300 peak
10002
weight
0.10000E+01 volume
0.72588E+01 ppm1
1.916
ppm2
0.972

ASSI {10052}

((segid “PROT” and resid 14 and name HB2))

(segid “PROT” and resid 14 and name HD1%)

2.200
1.200
1.200 peak
10052
weight
0.10000E+01 volume
0.93159E+01 ppm1
1.590
ppm2
0.845

ASSI {10062}

((segid “PROT” and resid 33 and name HD2))

((segid “PROT” and resid 33 and name HG1))

2.900
2.100
2.100 peak
10062
weight
0.10000E+01 volume
0.15987E+01 ppm1
1.574
ppm2
0.274

ASSI {10072}

((segid “PROT” and resid 33 and name HD2))

((segid “PROT” and resid 33 and name HG2))

2.900
2.100
2.100 peak
10072
weight
0.10000E+01 volume
0.15869E+01 ppm1
1.572
ppm2
−0.867

ASSI {10132}

((segid “PROT” and resid 33 and name HG2))

((segid “PROT” and resid 33 and name HG1))

2.500
1.600
1.600 peak
10132
weight
0.10000E+01 volume
0.43453E+01 ppm1
−0.869
ppm2
0.275

ASSI {10182}

(segid “PROT” and resid 74 and name HD%)

(segid “PROT” and resid 18 and name HD1%)

2.800
2.000
2.000 peak
10182
weight
0.10000E+01 volume
0.23158E+01 ppm1
6.436
ppm2
0.515

ASSI {10192}

((segid “PROT” and resid 63 and name HA))

(segid “PROT” and resid 63 and name HD2%)

2.300
1.300
1.300 peak
10192
weight
0.10000E+01 volume
0.61524E+01 ppm1
4.722
ppm2
1.076

ASSI {10252}

((segid “PROT” and resid 15 and name HA))

(segid “PROT” and resid 18 and name HD1%)

2.500
1.600
1.600 peak
10252
weight
0.10000E+01 volume
0.38191E+01 ppm1
4.060
ppm2
0.514

ASSI {10262}

((segid “PROT” and resid 110 and name HA))

(segid “PROT” and resid 115 and name HD1%)

2.500
1.600
1.600 peak
10262
weight
0.10000E+01 volume
0.43512E+01 ppm1
3.859
ppm2
0.753

ASSI {10292}

((segid “PROT” and resid 68 and name HB1))

(segid “PROT” and resid 18 and name HD1%)

2.600
1.700
1.700 peak
10292
weight
0.10000E+01 volume
0.32587E+01 ppm1
3.105
ppm2
0.509

ASSI {10302}

((segid “PROT” and resid 66 and name HD2))

((segid “PROT” and resid 66 and name HB2))

3.000
2.200
2.200 peak
10302
weight
0.10000E+01 volume
0.15198E+01 ppm1
3.068
ppm2
2.051

ASSI {10312}

((segid “PROT” and resid 68 and name HB2))

(segid “PROT” and resid 18 and name HD1%)

2.400
1.400
1.400 peak
10312
weight
0.10000E+01 volume
0.47243E+01 ppm1
2.967
ppm2
0.515

ASSI {10322}

((segid “PROT” and resid 74 and name HB2))

(segid “PROT” and resid 18 and name HD1%)

2.700
1.800
1.800 peak
10322
weight
0.10000E+01 volume
0.25991E+01 ppm1
2.427
ppm2
0.515

ASSI {10332}

((segid “PROT” and resid 63 and name HB1))

(segid “PROT” and resid 63 and name HD2%)

2.600
1.700
1.700 peak
10332
weight
0.10000E+01 volume
0.35188E+01 ppm1
2.354
ppm2
1.078

ASSI {10342}

((segid “PROT” and resid 66 and name HB1))

((segid “PROT” and resid 66 and name HB2))

2.200
1.200
1.200 peak
10342
weight
0.10000E+01 volume
0.86683E+01 ppm1
2.141
ppm2
2.046

ASSI {10382}

((segid “PROT” and resid 8 and name HB2))

(segid “PROT” and resid 115 and name HD1%)

2.600
1.700
1.700 peak
10382
weight
0.10000E+01 volume
0.34114E+01 ppm1
1.908
ppm2
0.758

ASSI {10392}

((segid “PROT” and resid 14 and name HB1))

(segid “PROT” and resid 18 and name HD1%)

2.900
2.100
2.100 peak
10392
weight
0.10000E+01 volume
0.18010E+01 ppm1
1.884
ppm2
0.515

ASSI {10402}

((segid “PROT” and resid 63 and name HG))

(segid “PROT” and resid 63 and name HD2%)

2.200
1.200
1.200 peak
10402
weight
0.10000E+01 volume
0.88532E+01 ppm1
1.852
ppm2
1.078

ASSI {10412}

((segid “PROT” and resid 56 and name HG))

(segid “PROT” and resid 102 and name HD1%)

2.100
2.100
2.400 peak
10412
weight
0.10000E+01 volume
0.10879E+02 ppm1
1.766
ppm2
0.757

ASSI {10422}

((segid “PROT” and resid 18 and name HG))

(segid “PROT” and resid 18 and name HD1%)

2.400
1.400
1.400 peak
10422
weight
0.10000E+01 volume
0.59544E+01 ppm1
1.702
ppm2
0.514

ASSI {10432}

((segid “PROT” and resid 66 and name HG1))

((segid “PROT” and resid 66 and name HB2))

2.500
1.600
1.600 peak
10432
weight
0.10000E+01 volume
0.41346E+01 ppm1
1.600
ppm2
2.049

ASSI {10442}

((segid “PROT” and resid 66 and name HG1))

((segid “PROT” and resid 66 and name HB1))

2.500
1.600
1.600 peak
10442
weight
0.10000E+01 volume
0.41383E+01 ppm1
1.601
ppm2
2.130

ASSI {10452}

((segid “PROT” and resid 18 and name HB1))

(segid “PROT” and resid 63 and name HD2%)

2.500
1.600
1.600 peak
10452
weight
0.10000E+01 volume
0.43181E+01 ppm1
1.557
ppm2
1.078

ASSI {10462}

((segid “PROT” and resid 18 and name HB1))

(segid “PROT” and resid 18 and name HD1%)

2.400
1.400
1.400 peak
10462
weight
0.10000E+01 volume
0.55398E+01 ppm1
1.554
ppm2
0.514

ASSI {10482}

((segid “PROT” and resid 86 and name HG1))

((segid “PROT” and resid 86 and name HG2))

2.300
1.300
1.300 peak
10482
weight
0.10000E+01 volume
0.61301E+01 ppm1
1.341
ppm2
0.166

ASSI {10492}

(segid “PROT” and resid 17 and name HG2%)

(segid “PROT” and resid 115 and name HD1%)

2.200
1.200
1.200 peak
10492
weight
0.10000E+01 volume
0.99350E+01 ppm1
1.178
ppm2
0.748

ASSI {10522}

(segid “PROT” and resid 14 and name HD2%)

(segid “PROT” and resid 18 and name HD1%)

2.200
1.200
1.200 peak
10522
weight
0.10000E+01 volume
0.78947E+01 ppm1
0.826
ppm2
0.513

ASSI {10532}

(segid “PROT” and resid 110 and name HD1%)

(segid “PROT” and resid 115 and name HD1%)

2.600
2.600
1.900 peak
10532
weight
0.10000E+01 volume
0.34067E+01 ppm1
0.568
ppm2
0.761

ASSI {10542}

(segid “PROT” and resid 18 and name HD1%)

(segid “PROT” and resid 63 and name HD2%)

2.400
1.400
1.400 peak
10542
weight
0.10000E+01 volume
0.48392E+01 ppm1
0.516
ppm2
1.079

ASSI {10552}

((segid “PROT” and resid 18 and name HB2))

(segid “PROT” and resid 63 and name HD2%)

2.700
1.800
1.800 peak
10552
weight
0.10000E+01 volume
0.25611E+01 ppm1
0.343
ppm2
1.079

ASSI {10562}

((segid “PROT” and resid 18 and name HB2))

(segid “PROT” and resid 18 and name HD1%)

2.500
1.600
1.600 peak
10562
weight
0.10000E+01 volume
0.41021E+01 ppm1
0.346
ppm2
0.517

ASSI {10592}

(segid “PROT” and resid 18 and name HD2%)

(segid “PROT” and resid 115 and name HD1%)

2.300
1.300
1.300 peak
10592
weight
0.10000E+01 volume
0.64278E+01 ppm1
−0.160
ppm2
0.749

ASSI {10632}

(segid “PROT” and resid 82 and name HE%)

(segid “PROT” and resid 102 and name HD1%)

2.400
1.400
1.400 peak
10632
weight
0.10000E+01 volume
0.49504E+01 ppm1
6.476
ppm2
0.761

ASSI {10662}

((segid “PROT” and resid 104 and name HA))

((segid “PROT” and resid 104 and name HG1))

2.300
1.300
1.300 peak
10662
weight
0.10000E+01 volume
0.62943E+01 ppm1
4.103
ppm2
1.550

ASSI {10672}

((segid “PROT” and resid 104 and name HA))

((segid “PROT” and resid 104 and name HG2))

2.300
1.300
1.300 peak
10672
weight
0.10000E+01 volume
0.73311E+01 ppm1
4.097
ppm2
1.453

ASSI {10682}

((segid “PROT” and resid 104 and name HE1))

((segid “PROT” and resid 104 and name HG1))

2.100
1.100
1.100 peak
10682
weight
0.10000E+01 volume
0.11157E+02 ppm1
3.028
ppm2
1.569

ASSI {10702}

((segid “PROT” and resid 111 and name HE1))

((segid “PROT” and resid 111 and name HG1))

2.600
1.700
1.700 peak
10702
weight
0.10000E+01 volume
0.33124E+01 ppm1
2.934
ppm2
1.450

ASSI {10762}

((segid “PROT” and resid 102 and name HB1))

(segid “PROT” and resid 102 and name HD1%)

2.300
1.300
1.300 peak
10762
weight
0.10000E+01 volume
0.66432E+01 ppm1
1.468
ppm2
0.764

ASSI {10772}

((segid “PROT” and resid 102 and name HB2))

(segid “PROT” and resid 102 and name HD1%)

2.300
1.300
1.300 peak
10772
weight
0.10000E+01 volume
0.71507E+01 ppm1
1.261
ppm2
0.761

ASSI {10782}

(segid “PROT” and resid 25 and name HG2%)

(segid “PROT” and resid 102 and name HD1%)

2.100
1.100
1.100 peak
10782
weight
0.10000E+01 volume
0.10874E+02 ppm1
1.072
ppm2
0.760

ASSI {10792}

(segid “PROT” and resid 116 and name HG2%)

((segid “PROT” and resid 111 and name HG1))

2.700
1.800
1.800 peak
10792
weight
0.10000E+01 volume
0.28695E+01 ppm1
0.835
ppm2
1.453

ASSI {10802}

((segid “PROT” and resid 64 and name HA))

((segid “PROT” and resid 64 and name HG1))

2.500
1.600
1.600 peak
10802
weight
0.10000E+01 volume
0.42177E+01 ppm1
4.377
ppm2
1.650

ASSI {10862}

((segid “PROT” and resid 16 and name HB2))

((segid “PROT” and resid 19 and name HG1))

2.900
2.100
2.100 peak
10862
weight
0.10000E+01 volume
0.17444E+01 ppm1
3.940
ppm2
1.316

ASSI {10902}

(segid “PROT” and resid 14 and name HD2%)

(segid “PROT” and resid 18 and name HG)

2.700
1.800
1.800 peak
10902
weight
0.10000E+01 volume
0.24419E+01 ppm1
0.833
ppm2
1.690

ASSI {10932}

((segid “PROT” and resid 81 and name HB))

(segid “PROT” and resid 78 and name HD2%)

2.600
1.700
1.700 peak
10932
weight
0.10000E+01 volume
0.30227E+01 ppm1
1.467
ppm2
0.196

ASSI {10942}

(segid “PROT” and resid 59 and name HE%)

(segid “PROT” and resid 78 and name HD2%)

2.400
1.400
1.400 peak
10942
weight
0.10000E+01 volume
0.59847E+01 ppm1
1.310
ppm2
0.194

ASSI {10952}

((segid “PROT” and resid 50 and name HB))

((segid “PROT” and resid 50 and name HG12))

2.400
1.400
1.400 peak
10952
weight
0.10000E+01 volume
0.59613E+01 ppm1
1.249
ppm2
0.193

ASSI {10992}

((segid “PROT” and resid 50 and name HG12))

((segid “PROT” and resid 50 and name HG11))

2.500
1.600
1.600 peak
10992
weight
0.10000E+01 volume
0.39414E+01 ppm1
0.185
ppm2
0.827

ASSI {11052}

((segid “PROT” and resid 25 and name HA))

(segid “PROT” and resid 102 and name HD2%)

2.500
1.600
1.600 peak
11052
weight
0.10000E+01 volume
0.41975E+01 ppm1
3.869
ppm2
0.766

ASSI {11072}

((segid “PROT” and resid 78 and name HA))

(segid “PROT” and resid 78 and name HD2%)

2.200
1.200
1.200 peak
11072
weight
0.10000E+01 volume
0.82572E+01 ppm1
3.416
ppm2
0.198

ASSI {11082}

((segid “PROT” and resid 105 and name HB2))

(segid “PROT” and resid 102 and name HD2%)

2.500
1.600
1.600 peak
11082
weight
0.10000E+01 volume
0.41341E+01 ppm1
3.101
ppm2
0.766

ASSI {11092}

((segid “PROT” and resid 28 and name HB1))

(segid “PROT” and resid 102 and name HD2%)

2.400
1.400
1.400 peak
11092
weight
0.10000E+01 volume
0.49393E+01 ppm1
3.023
ppm2
0.767

ASSI {11102}

((segid “PROT” and resid 28 and name HB2))

(segid “PROT” and resid 102 and name HD2%)

2.600
1.700
1.700 peak
11102
weight
0.10000E+01 volume
0.32553E+01 ppm1
2.819
ppm2
0.763

ASSI {11112}

((segid “PROT” and resid 102 and name HB2))

(segid “PROT” and resid 102 and name HD2%)

2.200
1.200
1.200 peak
11112
weight
0.10000E+01 volume
0.80020E+01 ppm1
1.257
ppm2
0.766

ASSI {11132}

(segid “PROT” and resid 25 and name HG2%)

(segid “PROT” and resid 78 and name HD2%)

2.200
1.200
1.200 peak
11132
weight
0.10000E+01 volume
0.84055E+01 ppm1
1.062
ppm2
0.196

ASSI {11142}

((segid “PROT” and resid 78 and name HG))

(segid “PROT” and resid 78 and name HD2%)

2.000
1.000
1.000 peak
11142
weight
0.10000E+01 volume
0.17074E+02 ppm1
0.691
ppm2
0.194

ASSI {11152}

((segid “PROT” and resid 78 and name HB2))

(segid “PROT” and resid 78 and name HD2%)

2.300
1.300
1.300 peak
11152
weight
0.10000E+01 volume
0.74312E+01 ppm1
0.500
ppm2
0.195

ASSI {11182}

((segid “PROT” and resid 22 and name HA))

(segid “PROT” and resid 22 and name HD2%)

2.100
1.100
1.100 peak
11182
weight
0.10000E+01 volume
0.11230E+02 ppm1
4.153
ppm2
1.051

ASSI {11192}

((segid “PROT” and resid 56 and name HA))

(segid “PROT” and resid 22 and name HD2%)

2.600
1.700
1.700 peak
11192
weight
0.10000E+01 volume
0.30625E+01 ppm1
4.068
ppm2
1.051

ASSI {11202}

((segid “PROT” and resid 25 and name HB))

(segid “PROT” and resid 22 and name HD2%)

2.700
1.800
1.800 peak
11202
weight
0.10000E+01 volume
0.24545E+01 ppm1
2.446
ppm2
1.047

ASSI {11212}

((segid “PROT” and resid 22 and name HB1))

(segid “PROT” and resid 22 and name HD2%)

2.400
1.400
1.400 peak
11212
weight
0.10000E+01 volume
0.56798E+01 ppm1
2.136
ppm2
1.050

ASSI {11222}

((segid “PROT” and resid 59 and name HB2))

(segid “PROT” and resid 22 and name HD2%)

2.500
1.600
1.600 peak
11222
weight
0.10000E+01 volume
0.41435E+01 ppm1
1.915
ppm2
1.051

ASSI {11232}

((segid “PROT” and resid 22 and name HG))

(segid “PROT” and resid 22 and name HD2%)

2.200
1.200
1.200 peak
11232
weight
0.10000E+01 volume
0.99228E+01 ppm1
1.793
ppm2
1.049

ASSI {11242}

(segid “PROT” and resid 59 and name HE%)

(segid “PROT” and resid 22 and name HD2%)

2.300
1.300
1.300 peak
11242
weight
0.10000E+01 volume
0.61801E+01 ppm1
1.309
ppm2
1.049

ASSI {11272}

(segid “PROT” and resid 78 and name HD2%)

(segid “PROT” and resid 22 and name HD2%)

2.700
1.800
1.800 peak
11272
weight
0.10000E+01 volume
0.28974E+01 ppm1
0.196
ppm2
1.049

ASSI {11282}

(segid “PROT” and resid 78 and name HD1%)

(segid “PROT” and resid 22 and name HD2%)

2.900
2.100
2.100 peak
11282
weight
0.10000E+01 volume
0.18093E+01 ppm1
0.095
ppm2
1.049

ASSI {11302}

((segid “PROT” and resid 73 and name HA))

(segid “PROT” and resid 73 and name HD2%)

2.000
1.000
1.000 peak
11302
weight
0.10000E+01 volume
0.13997E+02 ppm1
4.260
ppm2
0.928

ASSI {11312}

((segid “PROT” and resid 73 and name HB1))

(segid “PROT” and resid 73 and name HD2%)

2.400
1.400
1.400 peak
11312
weight
0.10000E+01 volume
0.52914E+01 ppm1
2.029
ppm2
0.928

ASSI {11322}

((segid “PROT” and resid 73 and name HB2))

(segid “PROT” and resid 73 and name HD2%)

2.300
1.300
1.300 peak
11322
weight
0.10000E+01 volume
0.73295E+01 ppm1
1.916
ppm2
0.924

ASSI {11342}

(segid “PROT” and resid 17 and name HG2%)

(segid “PROT” and resid 115 and name HD2%)

2.300
1.300
1.300 peak
11342
weight
0.10000E+01 volume
0.73274E+01 ppm1
1.178
ppm2
0.784

ASSI {11352}

((segid “PROT” and resid 115 and name HA))

(segid “PROT” and resid 115 and name HD2%)

2.000
1.000
1.000 peak
11352
weight
0.10000E+01 volume
0.13990E+02 ppm1
4.258
ppm2
0.783

ASSI {11362}

((segid “PROT” and resid 14 and name HA))

(segid “PROT” and resid 14 and name HD2%)

2.000
1.000
1.000 peak
11362
weight
0.10000E+01 volume
0.17448E+02 ppm1
4.086
ppm2
0.830

ASSI {11382}

((segid “PROT” and resid 14 and name HB1))

(segid “PROT” and resid 14 and name HD2%)

2.100
1.100
1.100 peak
11382
weight
0.10000E+01 volume
0.10938E+02 ppm1
1.899
ppm2
0.824

ASSI {11412}

((segid “PROT” and resid 14 and name HG))

(segid “PROT” and resid 14 and name HD2%)

2.200
1.200
1.200 peak
11412
weight
0.10000E+01 volume
0.93323E+01 ppm1
1.426
ppm2
0.838

ASSI {11432}

(segid “PROT” and resid 18 and name HD2%)

(segid “PROT” and resid 14 and name HD2%)

2.200
1.200
1.200 peak
11432
weight
0.10000E+01 volume
0.99743E+01 ppm1
−0.160
ppm2
0.822

ASSI {11462}

(segid “PROT” and resid 106 and name HD%)

(segid “PROT” and resid 25 and name HG1%)

2.600
1.700
1.700 peak
11462
weight
0.10000E+01 volume
0.32864E+01 ppm1
6.951
ppm2
1.244

ASSI {11472}

((segid “PROT” and resid 22 and name HA))

(segid “PROT” and resid 25 and name HG1%)

2.600
1.700
1.700 peak
11472
weight
0.10000E+01 volume
0.33649E+01 ppm1
4.154
ppm2
1.248

ASSI {11482}

((segid “PROT” and resid 106 and name HA))

(segid “PROT” and resid 25 and name HG1%)

2.600
1.700
1.700 peak
11482
weight
0.10000E+01 volume
0.30836E+01 ppm1
4.000
ppm2
1.243

ASSI {11492}

((segid “PROT” and resid 25 and name HA))

(segid “PROT” and resid 25 and name HG1%)

2.200
1.200
1.200 peak
11492
weight
0.10000E+01 volume
0.89668E+01 ppm1
3.867
ppm2
1.246

ASSI {11502}

((segid “PROT” and resid 106 and name HB2))

(segid “PROT” and resid 25 and name HG1%)

2.800
2.000
2.000 peak
11502
weight
0.10000E+01 volume
0.20827E+01 ppm1
3.136
ppm2
1.245

ASSI {11532}

((segid “PROT” and resid 25 and name HB))

(segid “PROT” and resid 25 and name HG1%)

2.100
1.100
1.100 peak
11532
weight
0.10000E+01 volume
0.10379E+02 ppm1
2.445
ppm2
1.245

ASSI {11552}

((segid “PROT” and resid 102 and name HG))

(segid “PROT” and resid 25 and name HG1%)

2.900
2.100
2.100 peak
11552
weight
0.10000E+01 volume
0.15965E+01 ppm1
1.595
ppm2
1.239

ASSI {11562}

(segid “PROT” and resid 25 and name HG2%)

(segid “PROT” and resid 25 and name HG1%)

1.900
0.900
0.900 peak
11562
weight
0.10000E+01 volume
0.22735E+02 ppm1
1.069
ppm2
1.243

ASSI {11572}

(segid “PROT” and resid 102 and name HD2%)

(segid “PROT” and resid 25 and name HG1%)

2.400
1.400
1.400 peak
11572
weight
0.10000E+01 volume
0.56418E+01 ppm1
0.764
ppm2
1.242

ASSI {11592}

(segid “PROT” and resid 78 and name HD2%)

(segid “PROT” and resid 25 and name HG1%)

2.600
1.700
1.700 peak
11592
weight
0.10000E+01 volume
0.31395E+01 ppm1
0.196
ppm2
1.242

ASSI {11612}

((segid “PROT” and resid 41 and name HB))

(segid “PROT” and resid 41 and name HG2%)

1.900
0.900
0.900 peak
11612
weight
0.10000E+01 volume
0.22674E+02 ppm1
4.345
ppm2
1.320

ASSI {11632}

((segid “PROT” and resid 39 and name HB2))

(segid “PROT” and resid 41 and name HG2%)

2.800
2.000
2.000 peak
11632
weight
0.10000E+01 volume
0.20175E+01 ppm1
1.958
ppm2
1.319

ASSI {11642}

((segid “PROT” and resid 59 and name HB2))

(segid “PROT” and resid 56 and name HD2%)

2.700
1.800
1.800 peak
11642
weight
0.10000E+01 volume
0.27107E+01 ppm1
1.922
ppm2
0.680

ASSI {11662}

((segid “PROT” and resid 56 and name HG))

(segid “PROT” and resid 56 and name HD2%)

2.200
1.200
1.200 peak
11662
weight
0.10000E+01 volume
0.99064E+01 ppm1
1.764
ppm2
0.678

ASSI {11672}

((segid “PROT” and resid 39 and name HD2))

(segid “PROT” and resid 41 and name HG2%)

2.900
2.100
2.100 peak
11672
weight
0.10000E+01 volume
0.17126E+01 ppm1
1.680
ppm2
1.313

ASSI {11682}

((segid “PROT” and resid 56 and name HB2))

(segid “PROT” and resid 56 and name HD2%)

2.500
1.600
1.600 peak
11682
weight
0.10000E+01 volume
0.46505E+01 ppm1
1.451
ppm2
0.678

ASSI {11692}

(segid “PROT” and resid 78 and name HD2%)

(segid “PROT” and resid 56 and name HD2%)

2.300
1.300
1.300 peak
11692
weight
0.10000E+01 volume
0.78069E+01 ppm1
0.194
ppm2
0.677

ASSI {11702}

(segid “PROT” and resid 78 and name HD1%)

(segid “PROT” and resid 56 and name HD2%)

2.500
1.600
1.600 peak
11702
weight
0.10000E+01 volume
0.38946E+01 ppm1
0.097
ppm2
0.678

ASSI {11722}

((segid “PROT” and resid 54 and name HA))

(segid “PROT” and resid 81 and name HG1%)

2.800
2.000
2.000 peak
11722
weight
0.10000E+01 volume
0.19593E+01 ppm1
4.986
ppm2
0.503

ASSI {11732}

((segid “PROT” and resid 55 and name HA))

(segid “PROT” and resid 81 and name HG1%)

2.500
1.600
1.600 peak
11732
weight
0.10000E+01 volume
0.38747E+01 ppm1
4.778
ppm2
0.507

ASSI {11742}

((segid “PROT” and resid 83 and name HB))

(segid “PROT” and resid 83 and name HG2%)

1.900
0.900
0.900 peak
11742
weight
0.10000E+01 volume
0.21486E+02 ppm1
4.240
ppm2
1.343

ASSI {11752}

((segid “PROT” and resid 83 and name HA))

(segid “PROT” and resid 83 and name HG2%)

2.000
1.000
1.000 peak
11752
weight
0.10000E+01 volume
0.15158E+02 ppm1
3.894
ppm2
1.343

ASSI {11772}

((segid “PROT” and resid 78 and name HA))

(segid “PROT” and resid 81 and name HG1%)

2.300
1.300
1.300 peak
11772
weight
0.10000E+01 volume
0.69671E+01 ppm1
3.419
ppm2
0.509

ASSI {11782}

((segid “PROT” and resid 81 and name HA))

(segid “PROT” and resid 81 and name HG1%)

2.100
1.100
1.100 peak
11782
weight
0.10000E+01 volume
0.10502E+02 ppm1
3.127
ppm2
0.508

ASSI {11792}

((segid “PROT” and resid 54 and name HG1))

(segid “PROT” and resid 81 and name HG1%)

2.500
1.600
1.600 peak
11792
weight
0.10000E+01 volume
0.42195E+01 ppm1
2.741
ppm2
0.511

ASSI {11812}

((segid “PROT” and resid 25 and name HB))

(segid “PROT” and resid 25 and name HG2%)

2.100
1.100
1.100 peak
11812
weight
0.10000E+01 volume
0.10819E+02 ppm1
2.445
ppm2
1.073

ASSI {11832}

((segid “PROT” and resid 53 and name HG2))

(segid “PROT” and resid 38 and name HG1%)

2.000
2.000
2.500 peak
11832
weight
0.10000E+01 volume
0.15230E+02 ppm1
1.938
ppm2
0.498

ASSI {11852}

((segid “PROT” and resid 81 and name HB))

(segid “PROT” and resid 81 and name HG1%)

2.100
1.100
1.100 peak
11852
weight
0.10000E+01 volume
0.10363E+02 ppm1
1.466
ppm2
0.509

ASSI {11862}

((segid “PROT” and resid 38 and name HB))

(segid “PROT” and resid 38 and name HG1%)

2.100
1.100
1.100 peak
11862
weight
0.10000E+01 volume
0.12690E+02 ppm1
1.072
ppm2
0.496

ASSI {11872}

(segid “PROT” and resid 43 and name HB%)

(segid “PROT” and resid 38 and name HG1%)

2.600
1.700
1.700 peak
11872
weight
0.10000E+01 volume
0.32089E+01 ppm1
0.992
ppm2
0.499

ASSI {11882}

(segid “PROT” and resid 56 and name HD2%)

(segid “PROT” and resid 25 and name HG2%)

2.300
1.300
1.300 peak
11882
weight
0.10000E+01 volume
0.66325E+01 ppm1
0.678
ppm2
1.074

ASSI {11892}

(segid “PROT” and resid 56 and name HD2%)

(segid “PROT” and resid 81 and name HG1%)

2.300
1.300
1.300 peak
11892
weight
0.10000E+01 volume
0.73060E+01 ppm1
0.678
ppm2
0.508

ASSI {11912}

(segid “PROT” and resid 81 and name HG2%)

(segid “PROT” and resid 81 and name HG1%)

2.000
1.000
1.000 peak
11912
weight
0.10000E+01 volume
0.18518E+02 ppm1
0.157
ppm2
0.510

ASSI {11932}

(segid “PROT” and resid 38 and name HG2%)

(segid “PROT” and resid 38 and name HG1%)

2.000
1.000
1.000 peak
11932
weight
0.10000E+01 volume
0.17706E+02 ppm1
−0.011
ppm2
0.496

ASSI {11942}

(segid “PROT” and resid 82 and name HD%)

(segid “PROT” and resid 81 and name HG2%)

2.800
2.000
2.000 peak
11942
weight
0.10000E+01 volume
0.19816E+01 ppm1
6.692
ppm2
0.156

ASSI {11952}

(segid “PROT” and resid 82 and name HE%)

(segid “PROT” and resid 81 and name HG2%)

2.900
2.100
2.100 peak
11952
weight
0.10000E+01 volume
0.16984E+01 ppm1
6.489
ppm2
0.157

ASSI {11962}

((segid “PROT” and resid 54 and name HA))

(segid “PROT” and resid 58 and name HG2%)

2.900
2.100
2.100 peak
11962
weight
0.10000E+01 volume
0.16768E+01 ppm1
4.987
ppm2
1.099

ASSI {11972}

((segid “PROT” and resid 55 and name HA))

(segid “PROT” and resid 81 and name HG2%)

2.800
2.000
2.000 peak
11972
weight
0.10000E+01 volume
0.22875E+01 ppm1
4.780
ppm2
0.156

ASSI {11982}

((segid “PROT” and resid 58 and name HB))

(segid “PROT” and resid 58 and name HG2%)

1.900
0.900
0.900 peak
11982
weight
0.10000E+01 volume
0.18798E+02 ppm1
4.121
ppm2
1.097

ASSI {12002}

(segid “PROT” and resid 34 and name HD%)

(segid “PROT” and resid 81 and name HG2%)

2.500
1.600
1.600 peak
12002
weight
0.10000E+01 volume
0.41738E+01 ppm1
7.185
ppm2
0.155

ASSI {12012}

((segid “PROT” and resid 34 and name HB1))

(segid “PROT” and resid 81 and name HG2%)

2.500
1.600
1.600 peak
12012
weight
0.10000E+01 volume
0.44360E+01 ppm1
3.515
ppm2
0.155

ASSI {12022}

((segid “PROT” and resid 85 and name HB1))

(segid “PROT” and resid 81 and name HG2%)

2.800
2.000
2.000 peak
12022
weight
0.10000E+01 volume
0.20402E+01 ppm1
3.415
ppm2
0.152

ASSI {12032}

((segid “PROT” and resid 81 and name HA))

(segid “PROT” and resid 81 and name HG2%)

2.200
1.200
1.200 peak
12032
weight
0.10000E+01 volume
0.80317E+01 ppm1
3.128
ppm2
0.155

ASSI {12042}

((segid “PROT” and resid 34 and name HB2))

(segid “PROT” and resid 81 and name HG2%)

2.700
1.800
1.800 peak
12042
weight
0.10000E+01 volume
0.28427E+01 ppm1
2.638
ppm2
0.156

ASSI {12052}

((segid “PROT” and resid 57 and name HE1))

(segid “PROT” and resid 58 and name HG2%)

2.600
1.700
1.700 peak
12052
weight
0.10000E+01 volume
0.34800E+01 ppm1
2.612
ppm2
1.098

ASSI {12072}

((segid “PROT” and resid 81 and name HB))

(segid “PROT” and resid 81 and name HG2%)

2.100
1.100
1.100 peak
12072
weight
0.10000E+01 volume
0.10373E+02 ppm1
1.469
ppm2
0.156

ASSI {12082}

(segid “PROT” and resid 102 and name HD1%)

(segid “PROT” and resid 81 and name HG2%)

2.900
2.100
2.100 peak
12082
weight
0.10000E+01 volume
0.15611E+01 ppm1
0.755
ppm2
0.156

ASSI {12092}

(segid “PROT” and resid 56 and name HD2%)

(segid “PROT” and resid 81 and name HG2%)

2.700
1.800
1.800 peak
12092
weight
0.10000E+01 volume
0.28031E+01 ppm1
0.680
ppm2
0.154

ASSI {12122}

((segid “PROT” and resid 69 and name HA))

(segid “PROT” and resid 69 and name HG1%)

2.000
1.000
1.000 peak
12122
weight
0.10000E+01 volume
0.17855E+02 ppm1
4.119
ppm2
0.988

ASSI {12132}

((segid “PROT” and resid 38 and name HA))

(segid “PROT” and resid 38 and name HG2%)

2.300
1.300
1.300 peak
12132
weight
0.10000E+01 volume
0.66566E+01 ppm1
3.494
ppm2
−0.010

ASSI {12142}

((segid “PROT” and resid 69 and name HB))

(segid “PROT” and resid 69 and name HG1%)

2.000
1.000
1.000 peak
12142
weight
0.10000E+01 volume
0.18250E+02 ppm1
2.352
ppm2
0.990

ASSI {12172}

(segid “PROT” and resid 113 and name HB%)

(segid “PROT” and resid 17 and name HG2%)

2.100
1.100
1.100 peak
12172
weight
0.10000E+01 volume
0.10423E+02 ppm1
1.411
ppm2
1.175

ASSI {12182}

((segid “PROT” and resid 38 and name HB))

(segid “PROT” and resid 38 and name HG2%)

2.200
1.200
1.200 peak
12182
weight
0.10000E+01 volume
0.92232E+01 ppm1
1.072
ppm2
−0.010

ASSI {12192}

(segid “PROT” and resid 43 and name HB%)

(segid “PROT” and resid 38 and name HG2%)

2.100
1.100
1.100 peak
12192
weight
0.10000E+01 volume
0.10645E+02 ppm1
0.988
ppm2
−0.010

ASSI {12202}

(segid “PROT” and resid 21 and name HD1%)

(segid “PROT” and resid 17 and name HG2%)

2.100
1.100
1.100 peak
12202
weight
0.10000E+01 volume
0.11281E+02 ppm1
0.654
ppm2
1.179

ASSI {12222}

(segid “PROT” and resid 18 and name HD2%)

(segid “PROT” and resid 17 and name HG2%)

2.500
1.600
1.600 peak
12222
weight
0.10000E+01 volume
0.45180E+01 ppm1
−0.160
ppm2
1.179

ASSI {12232}

((segid “PROT” and resid 88 and name HA))

(segid “PROT” and resid 49 and name HG2%)

2.800
2.000
2.000 peak
12232
weight
0.10000E+01 volume
0.19275E+01 ppm1
4.335
ppm2
0.917

ASSI {12252}

((segid “PROT” and resid 49 and name HB))

(segid “PROT” and resid 49 and name HG2%)

2.100
1.100
1.100 peak
12252
weight
0.10000E+01 volume
0.11893E+02 ppm1
1.928
ppm2
0.910

ASSI {12262}

(segid “PROT” and resid 50 and name HD1%)

(segid “PROT” and resid 49 and name HG2%)

2.300
1.300
1.300 peak
12262
weight
0.10000E+01 volume
0.67910E+01 ppm1
0.581
ppm2
0.912

ASSI {12302}

((segid “PROT” and resid 43 and name HA))

(segid “PROT” and resid 43 and name HB%)

2.200
1.200
1.200 peak
12302
weight
0.10000E+01 volume
0.99216E+01 ppm1
4.988
ppm2
0.987

ASSI {12312}

((segid “PROT” and resid 44 and name HD1))

(segid “PROT” and resid 43 and name HB%)

2.900
2.100
2.100 peak
12312
weight
0.10000E+01 volume
0.17587E+01 ppm1
3.830
ppm2
0.988

ASSI {12322}

((segid “PROT” and resid 46 and name HB1))

(segid “PROT” and resid 43 and name HB%)

2.500
1.600
1.600 peak
12322
weight
0.10000E+01 volume
0.47081E+01 ppm1
2.762
ppm2
0.987

ASSI {12332}

((segid “PROT” and resid 46 and name HB2))

(segid “PROT” and resid 43 and name HB%)

2.500
1.600
1.600 peak
12332
weight
0.10000E+01 volume
0.40150E+01 ppm1
2.426
ppm2
0.984

ASSI {12342}

((segid “PROT” and resid 39 and name HG2))

(segid “PROT” and resid 43 and name HB%)

2.800
2.000
2.000 peak
12342
weight
0.10000E+01 volume
0.20520E+01 ppm1
1.443
ppm2
0.986

ASSI {12352}

(segid “PROT” and resid 41 and name HG2%)

(segid “PROT” and resid 43 and name HB%)

2.600
1.700
1.700 peak
12352
weight
0.10000E+01 volume
0.31831E+01 ppm1
1.342
ppm2
0.985

ASSI {12382}

(segid “PROT” and resid 34 and name HD%)

(segid “PROT” and resid 31 and name HB%)

2.800
2.000
2.000 peak
12382
weight
0.10000E+01 volume
0.21740E+01 ppm1
7.180
ppm2
1.761

ASSI {12402}

(segid “PROT” and resid 74 and name HD%)

(segid “PROT” and resid 18 and name HD2%)

2.700
1.800
1.800 peak
12402
weight
0.10000E+01 volume
0.27909E+01 ppm1
6.432
ppm2
−0.161

ASSI {12412}

((segid “PROT” and resid 31 and name HA))

(segid “PROT” and resid 31 and name HB%)

2.100
1.100
1.100 peak
12412
weight
0.10000E+01 volume
0.11588E+02 ppm1
4.438
ppm2
1.763

ASSI {12422}

((segid “PROT” and resid 14 and name HA))

(segid “PROT” and resid 18 and name HD2%)

2.500
1.600
1.600 peak
12422
weight
0.10000E+01 volume
0.46610E+01 ppm1
4.061
ppm2
−0.160

ASSI {12432}

((segid “PROT” and resid 26 and name HA))

(segid “PROT” and resid 31 and name HB%)

2.300
1.300
1.300 peak
12432
weight
0.10000E+01 volume
0.63967E+01 ppm1
3.932
ppm2
1.762

ASSI {12442}

((segid “PROT” and resid 18 and name HA))

(segid “PROT” and resid 18 and name HD2%)

2.100
1.100
1.100 peak
12442
weight
0.10000E+01 volume
0.11266E+02 ppm1
3.315
ppm2
−0.161

ASSI {12452}

((segid “PROT” and resid 28 and name HB1))

(segid “PROT” and resid 31 and name HB%)

2.800
2.000
2.000 peak
12452
weight
0.10000E+01 volume
0.21964E+01 ppm1
3.014
ppm2
1.761

ASSI {12462}

((segid “PROT” and resid 74 and name HB1))

(segid “PROT” and resid 18 and name HD2%)

2.700
1.800
1.800 peak
12462
weight
0.10000E+01 volume
0.27167E+01 ppm1
2.985
ppm2
−0.159

ASSI {12472}

((segid “PROT” and resid 35 and name HG1))

(segid “PROT” and resid 31 and name HB%)

2.900
2.100
2.100 peak
12472
weight
0.10000E+01 volume
0.18022E+01 ppm1
2.893
ppm2
1.761

ASSI {12482}

((segid “PROT” and resid 28 and name HB2))

(segid “PROT” and resid 31 and name HB%)

2.800
2.000
2.000 peak
12482
weight
0.10000E+01 volume
0.19169E+01 ppm1
2.827
ppm2
1.761

ASSI {12492}

((segid “PROT” and resid 74 and name HB2))

(segid “PROT” and resid 18 and name HD2%)

2.900
2.100
2.100 peak
12492
weight
0.10000E+01 volume
0.16460E+01 ppm1
2.426
ppm2
−0.159

ASSI {12502}

(segid “PROT” and resid 35 and name HE%)

(segid “PROT” and resid 31 and name HB%)

2.500
1.600
1.600 peak
12502
weight
0.10000E+01 volume
0.46210E+01 ppm1
2.220
ppm2
1.761

ASSI {12512}

((segid “PROT” and resid 14 and name HB1))

(segid “PROT” and resid 18 and name HD2%)

2.700
1.800
1.800 peak
12512
weight
0.10000E+01 volume
0.24259E+01 ppm1
1.907
ppm2
−0.160

ASSI {12522}

((segid “PROT” and resid 18 and name HG))

(segid “PROT” and resid 18 and name HD2%)

2.200
1.200
1.200 peak
12522
weight
0.10000E+01 volume
0.90471E+01 ppm1
1.706
ppm2
−0.160

ASSI {12532}

((segid “PROT” and resid 18 and name HB1))

(segid “PROT” and resid 18 and name HD2%)

2.400
1.400
1.400 peak
12532
weight
0.10000E+01 volume
0.47694E+01 ppm1
1.563
ppm2
−0.162

ASSI {12552}

(segid “PROT” and resid 63 and name HD2%)

(segid “PROT” and resid 18 and name HD2%)

2.900
2.100
2.100 peak
12552
weight
0.10000E+01 volume
0.18027E+01 ppm1
1.078
ppm2
−0.159

ASSI {12572}

(segid “PROT” and resid 56 and name HD1%)

(segid “PROT” and resid 31 and name HB%)

2.300
1.300
1.300 peak
12572
weight
0.10000E+01 volume
0.76065E+01 ppm1
0.978
ppm2
1.761

ASSI {12592}

(segid “PROT” and resid 102 and name HD1%)

(segid “PROT” and resid 31 and name HB%)

2.100
1.100
1.100 peak
12592
weight
0.10000E+01 volume
0.13169E+02 ppm1
0.763
ppm2
1.762

ASSI {12612}

(segid “PROT” and resid 21 and name HD1%)

(segid “PROT” and resid 18 and name HD2%)

2.500
1.600
1.600 peak
12612
weight
0.10000E+01 volume
0.39733E+01 ppm1
0.654
ppm2
−0.158

ASSI {12622}

(segid “PROT” and resid 18 and name HD1%)

(segid “PROT” and resid 18 and name HD2%)

2.000
1.000
1.000 peak
12622
weight
0.10000E+01 volume
0.15661E+02 ppm1
0.515
ppm2
−0.160

ASSI {12632}

((segid “PROT” and resid 18 and name HB2))

(segid “PROT” and resid 18 and name HD2%)

2.600
1.700
1.700 peak
12632
weight
0.10000E+01 volume
0.35201E+01 ppm1
0.341
ppm2
−0.159

ASSI {12642}

((segid “PROT” and resid 113 and name HA))

(segid “PROT” and resid 113 and name HB%)

1.900
0.900
0.900 peak
12642
weight
0.10000E+01 volume
0.23011E+02 ppm1
4.338
ppm2
1.411

ASSI {12672}

((segid “PROT” and resid 115 and name HG))

(segid “PROT” and resid 113 and name HB%)

2.300
1.300
1.300 peak
12672
weight
0.10000E+01 volume
0.77795E+01 ppm1
1.564
ppm2
1.407

ASSI {12712}

(segid “PROT” and resid 115 and name HD1%)

(segid “PROT” and resid 113 and name HB%)

2.300
1.300
1.300 peak
12712
weight
0.10000E+01 volume
0.75629E+01 ppm1
0.752
ppm2
1.412

ASSI {12742}

(segid “PROT” and resid 74 and name HE%)

(segid “PROT” and resid 110 and name HG2%)

2.700
1.800
1.800 peak
12742
weight
0.10000E+01 volume
0.27255E+01 ppm1
6.958
ppm2
0.694

ASSI {12762}

((segid “PROT” and resid 110 and name HA))

(segid “PROT” and resid 110 and name HG2%)

2.100
1.100
1.100 peak
12762
weight
0.10000E+01 volume
0.13460E+02 ppm1
3.858
ppm2
0.694

ASSI {12782}

((segid “PROT” and resid 69 and name HB))

(segid “PROT” and resid 69 and name HG2%)

2.000
1.000
1.000 peak
12782
weight
0.10000E+01 volume
0.18266E+02 ppm1
2.352
ppm2
0.864

ASSI {12802}

((segid “PROT” and resid 110 and name HB))

(segid “PROT” and resid 110 and name HG2%)

2.100
1.100
1.100 peak
12802
weight
0.10000E+01 volume
0.12814E+02 ppm1
1.796
ppm2
0.694

ASSI {12812}

((segid “PROT” and resid 115 and name HB2))

(segid “PROT” and resid 110 and name HG2%)

2.400
1.400
1.400 peak
12812
weight
0.10000E+01 volume
0.58675E+01 ppm1
1.609
ppm2
0.693

ASSI {12822}

((segid “PROT” and resid 110 and name HG11))

(segid “PROT” and resid 110 and name HG2%)

2.400
1.400
1.400 peak
12822
weight
0.10000E+01 volume
0.53638E+01 ppm1
1.154
ppm2
0.692

ASSI {12832}

((segid “PROT” and resid 110 and name HG12))

(segid “PROT” and resid 110 and name HG2%)

2.400
1.400
1.400 peak
12832
weight
0.10000E+01 volume
0.58609E+01 ppm1
1.086
ppm2
0.693

ASSI {12852}

(segid “PROT” and resid 69 and name HG1%)

(segid “PROT” and resid 69 and name HG2%)

1.700
0.700
0.700 peak
12852
weight
0.10000E+01 volume
0.41193E+02 ppm1
0.986
ppm2
0.861

ASSI {12872}

((segid “PROT” and resid 34 and name HZ))

(segid “PROT” and resid 99 and name HB%)

2.300
1.300
1.300 peak
12872
weight
0.10000E+01 volume
0.63690E+01 ppm1
7.303
ppm2
1.665

ASSI {12882}

(segid “PROT” and resid 82 and name HD%)

(segid “PROT” and resid 99 and name HB%)

2.500
1.600
1.600 peak
12882
weight
0.10000E+01 volume
0.37187E+01 ppm1
6.695
ppm2
1.663

ASSI {12892}

((segid “PROT” and resid 77 and name HA))

(segid “PROT” and resid 76 and name HB%)

2.900
2.100
2.100 peak
12892
weight
0.10000E+01 volume
0.16636E+01 ppm1
4.399
ppm2
1.531

ASSI {12902}

((segid “PROT” and resid 73 and name HA))

(segid “PROT” and resid 76 and name HB%)

2.200
1.200
1.200 peak
12902
weight
0.10000E+01 volume
0.96069E+01 ppm1
4.260
ppm2
1.534

ASSI {12912}

((segid “PROT” and resid 82 and name HA))

(segid “PROT” and resid 99 and name HB%)

2.400
1.400
1.400 peak
12912
weight
0.10000E+01 volume
0.52839E+01 ppm1
4.217
ppm2
1.660

ASSI {12922}

((segid “PROT” and resid 76 and name HA))

(segid “PROT” and resid 76 and name HB%)

1.900
0.900
0.900 peak
12922
weight
0.10000E+01 volume
0.23966E+02 ppm1
4.116
ppm2
1.534

ASSI {12932}

((segid “PROT” and resid 99 and name HA))

(segid “PROT” and resid 99 and name HB%)

2.100
1.100
1.100 peak
12932
weight
0.10000E+01 volume
0.12282E+02 ppm1
3.914
ppm2
1.662

ASSI {12942}

((segid “PROT” and resid 96 and name HA))

(segid “PROT” and resid 99 and name HB%)

2.400
1.400
1.400 peak
12942
weight
0.10000E+01 volume
0.58392E+01 ppm1
3.832
ppm2
1.662

ASSI {12952}

((segid “PROT” and resid 85 and name HB1))

(segid “PROT” and resid 99 and name HB%)

2.600
1.700
1.700 peak
12952
weight
0.10000E+01 volume
0.35679E+01 ppm1
3.416
ppm2
1.662

ASSI {12962}

((segid “PROT” and resid 80 and name HG1))

(segid “PROT” and resid 76 and name HB%)

2.900
2.100
2.100 peak
12962
weight
0.10000E+01 volume
0.15862E+01 ppm1
1.796
ppm2
1.527

ASSI {12972}

((segid “PROT” and resid 103 and name HB2))

(segid “PROT” and resid 99 and name HB%)

2.500
1.600
1.600 peak
12972
weight
0.10000E+01 volume
0.42980E+01 ppm1
1.331
ppm2
1.660

ASSI {12982}

((segid “PROT” and resid 86 and name HG2))

(segid “PROT” and resid 99 and name HB%)

2.700
1.800
1.800 peak
12982
weight
0.10000E+01 volume
0.29370E+01 ppm1
0.163
ppm2
1.664

ASSI {13002}

((segid “PROT” and resid 30 and name HB1))

(segid “PROT” and resid 101 and name HG2%)

2.600
1.700
1.700 peak
13002
weight
0.10000E+01 volume
0.32336E+01 ppm1
4.351
ppm2
1.035

ASSI {13022}

((segid “PROT” and resid 98 and name HA))

(segid “PROT” and resid 101 and name HG2%)

2.700
1.800
1.800 peak
13022
weight
0.10000E+01 volume
0.26908E+01 ppm1
4.222
ppm2
1.033

ASSI {13032}

((segid “PROT” and resid 30 and name HB2))

(segid “PROT” and resid 101 and name HG2%)

2.600
1.700
1.700 peak
13032
weight
0.10000E+01 volume
0.35525E+01 ppm1
3.979
ppm2
1.031

ASSI {13072}

((segid “PROT” and resid 115 and name HB2))

(segid “PROT” and resid 116 and name HG2%)

2.900
2.100
2.100 peak
13072
weight
0.10000E+01 volume
0.17551E+01 ppm1
1.618
ppm2
0.859

ASSI {13082}

((segid “PROT” and resid 116 and name HG11))

(segid “PROT” and resid 116 and name HG2%)

2.500
1.600
1.600 peak
13082
weight
0.10000E+01 volume
0.41175E+01 ppm1
1.347
ppm2
0.858

ASSI {13092}

(segid “PROT” and resid 110 and name HD1%)

(segid “PROT” and resid 116 and name HG2%)

2.500
1.600
1.600 peak
13092
weight
0.10000E+01 volume
0.46372E+01 ppm1
0.568
ppm2
0.861

ASSI {13102}

((segid “PROT” and resid 24 and name HE21))

(segid “PROT” and resid 21 and name HG2%)

2.500
1.600
1.600 peak
13102
weight
0.10000E+01 volume
0.40731E+01 ppm1
7.061
ppm2
1.020

ASSI {13112}

(segid “PROT” and resid 106 and name HD%)

(segid “PROT” and resid 21 and name HG2%)

2.200
1.200
1.200 peak
13112
weight
0.10000E+01 volume
0.97563E+01 ppm1
6.961
ppm2
1.020

ASSI {13122}

((segid “PROT” and resid 22 and name HA))

(segid “PROT” and resid 21 and name HG2%)

2.900
2.100
2.100 peak
13122
weight
0.10000E+01 volume
0.17544E+01 ppm1
4.152
ppm2
1.016

ASSI {13132}

((segid “PROT” and resid 21 and name HA))

(segid “PROT” and resid 21 and name HG2%)

2.200
1.200
1.200 peak
13132
weight
0.10000E+01 volume
0.82544E+01 ppm1
3.800
ppm2
1.019

ASSI {13142}

((segid “PROT” and resid 18 and name HA))

(segid “PROT” and resid 21 and name HG2%)

2.900
2.100
2.100 peak
13142
weight
0.10000E+01 volume
0.16321E+01 ppm1
3.319
ppm2
1.017

ASSI {13162}

((segid “PROT” and resid 21 and name HG11))

(segid “PROT” and resid 21 and name HG2%)

2.300
1.300
1.300 peak
13162
weight
0.10000E+01 volume
0.61393E+01 ppm1
1.785
ppm2
1.018

ASSI {13202}

(segid “PROT” and resid 78 and name HD2%)

(segid “PROT” and resid 21 and name HG2%)

2.900
2.100
2.100 peak
13202
weight
0.10000E+01 volume
0.15853E+01 ppm1
0.196
ppm2
1.016

ASSI {13212}

(segid “PROT” and resid 78 and name HD1%)

(segid “PROT” and resid 21 and name HG2%)

2.700
1.800
1.800 peak
13212
weight
0.10000E+01 volume
0.24623E+01 ppm1
0.093
ppm2
1.018

ASSI {13292}

((segid “PROT” and resid 75 and name HB1))

(segid “PROT” and resid 75 and name HE%)

2.700
1.800
1.800 peak
13292
weight
0.10000E+01 volume
0.24960E+01 ppm1
2.964
ppm2
2.093

ASSI {13322}

((segid “PROT” and resid 75 and name HG1))

(segid “PROT” and resid 75 and name HE%)

2.400
1.400
1.400 peak
13322
weight
0.10000E+01 volume
0.47718E+01 ppm1
2.353
ppm2
2.090

ASSI {13332}

((segid “PROT” and resid 75 and name HG2))

(segid “PROT” and resid 75 and name HE%)

2.400
1.400
1.400 peak
13332
weight
0.10000E+01 volume
0.50489E+01 ppm1
2.245
ppm2
2.089

ASSI {13342}

((segid “PROT” and resid 115 and name HB2))

(segid “PROT” and resid 75 and name HE%)

2.700
1.800
1.800 peak
13342
weight
0.10000E+01 volume
0.25149E+01 ppm1
1.610
ppm2
2.097

ASSI {13362}

(segid “PROT” and resid 116 and name HG2%)

(segid “PROT” and resid 75 and name HE%)

2.500
1.600
1.600 peak
13362
weight
0.10000E+01 volume
0.44297E+01 ppm1
0.848
ppm2
2.096

ASSI {13372}

(segid “PROT” and resid 115 and name HD1%)

(segid “PROT” and resid 75 and name HE%)

2.600
1.700
1.700 peak
13372
weight
0.10000E+01 volume
0.32468E+01 ppm1
0.752
ppm2
2.096

ASSI {13382}

(segid “PROT” and resid 110 and name HG2%)

(segid “PROT” and resid 75 and name HE%)

2.400
1.400
1.400 peak
13382
weight
0.10000E+01 volume
0.50045E+01 ppm1
0.691
ppm2
2.096

ASSI {13392}

(segid “PROT” and resid 110 and name HD1%)

(segid “PROT” and resid 75 and name HE%)

2.400
1.400
1.400 peak
13392
weight
0.10000E+01 volume
0.54701E+01 ppm1
0.579
ppm2
2.094

ASSI {13402}

((segid “PROT” and resid 32 and name HA))

(segid “PROT” and resid 35 and name HE%)

2.700
1.800
1.800 peak
13402
weight
0.10000E+01 volume
0.26368E+01 ppm1
4.426
ppm2
2.218

ASSI {13412}

((segid “PROT” and resid 35 and name HA))

(segid “PROT” and resid 35 and name HE%)

2.700
1.800
1.800 peak
13412
weight
0.10000E+01 volume
0.23762E+01 ppm1
4.340
ppm2
2.215

ASSI {13422}

((segid “PROT” and resid 26 and name HA))

(segid “PROT” and resid 35 and name HE%)

2.800
2.000
2.000 peak
13422
weight
0.10000E+01 volume
0.21502E+01 ppm1
3.936
ppm2
2.227

ASSI {13432}

((segid “PROT” and resid 35 and name HG1))

(segid “PROT” and resid 35 and name HE%)

2.200
1.200
1.200 peak
13432
weight
0.10000E+01 volume
0.99990E+01 ppm1
2.894
ppm2
2.218

ASSI {13442}

((segid “PROT” and resid 35 and name HB1))

(segid “PROT” and resid 35 and name HE%)

2.400
1.400
1.400 peak
13442
weight
0.10000E+01 volume
0.60108E+01 ppm1
2.319
ppm2
2.207

ASSI {13452}

((segid “PROT” and resid 26 and name HB1))

(segid “PROT” and resid 35 and name HE%)

2.400
2.400
2.100 peak
13452
weight
0.10000E+01 volume
0.47279E+01 ppm1
1.919
ppm2
2.220

ASSI {13482}

((segid “PROT” and resid 26 and name HG1))

(segid “PROT” and resid 35 and name HE%)

2.900
2.100
2.100 peak
13482
weight
0.10000E+01 volume
0.17649E+01 ppm1
1.532
ppm2
2.221

ASSI {13542}

((segid “PROT” and resid 84 and name HA))

(segid “PROT” and resid 50 and name HG2%)

2.800
2.000
2.000 peak
13542
weight
0.10000E+01 volume
0.19891E+01 ppm1
4.343
ppm2
0.420

ASSI {13552}

((segid “PROT” and resid 59 and name HA))

(segid “PROT” and resid 59 and name HE%)

2.800
2.000
2.000 peak
13552
weight
0.10000E+01 volume
0.20245E+01 ppm1
4.337
ppm2
1.307

ASSI {13562}

((segid “PROT” and resid 53 and name HA))

(segid “PROT” and resid 50 and name HG2%)

2.200
1.200
1.200 peak
13562
weight
0.10000E+01 volume
0.82735E+01 ppm1
4.125
ppm2
0.419

ASSI {13572}

((segid “PROT” and resid 50 and name HA))

(segid “PROT” and resid 50 and name HG2%)

2.200
1.200
1.200 peak
13572
weight
0.10000E+01 volume
0.79741E+01 ppm1
3.953
ppm2
0.421

ASSI {13582}

((segid “PROT” and resid 74 and name HA))

(segid “PROT” and resid 59 and name HE%)

2.700
1.800
1.800 peak
13582
weight
0.10000E+01 volume
0.25189E+01 ppm1
3.803
ppm2
1.311

ASSI {13592}

((segid “PROT” and resid 53 and name HD2))

(segid “PROT” and resid 50 and name HG2%)

2.800
2.000
2.000 peak
13592
weight
0.10000E+01 volume
0.20585E+01 ppm1
3.445
ppm2
0.420

ASSI {13612}

((segid “PROT” and resid 84 and name HB1))

(segid “PROT” and resid 50 and name HG2%)

2.700
1.800
1.800 peak
13612
weight
0.10000E+01 volume
0.27693E+01 ppm1
3.035
ppm2
0.417

ASSI {13622}

((segid “PROT” and resid 77 and name HB1))

(segid “PROT” and resid 59 and name HE%)

2.300
1.300
1.300 peak
13622
weight
0.10000E+01 volume
0.75013E+01 ppm1
2.753
ppm2
1.308

ASSI {13632}

((segid “PROT” and resid 84 and name HB2))

(segid “PROT” and resid 50 and name HG2%)

2.700
1.800
1.800 peak
13632
weight
0.10000E+01 volume
0.28676E+01 ppm1
2.712
ppm2
0.420

ASSI {13642}

((segid “PROT” and resid 59 and name HG2))

(segid “PROT” and resid 59 and name HE%)

2.600
1.700
1.700 peak
13642
weight
0.10000E+01 volume
0.33032E+01 ppm1
2.560
ppm2
1.310

ASSI {13652}

((segid “PROT” and resid 53 and name HB1))

(segid “PROT” and resid 50 and name HG2%)

2.600
1.700
1.700 peak
13652
weight
0.10000E+01 volume
0.34701E+01 ppm1
2.259
ppm2
0.419

ASSI {13662}

((segid “PROT” and resid 59 and name HB1))

(segid “PROT” and resid 59 and name HE%)

2.400
1.400
1.400 peak
13662
weight
0.10000E+01 volume
0.54884E+01 ppm1
2.154
ppm2
1.309

ASSI {13672}

((segid “PROT” and resid 59 and name HB2))

(segid “PROT” and resid 59 and name HE%)

2.500
1.600
1.600 peak
13672
weight
0.10000E+01 volume
0.41611E+01 ppm1
1.932
ppm2
1.309

ASSI {13682}

((segid “PROT” and resid 53 and name HG2))

(segid “PROT” and resid 50 and name HG2%)

2.600
1.700
1.700 peak
13682
weight
0.10000E+01 volume
0.31884E+01 ppm1
1.934
ppm2
0.421

ASSI {13692}

((segid “PROT” and resid 50 and name HB))

(segid “PROT” and resid 50 and name HG2%)

2.100
1.100
1.100 peak
13692
weight
0.10000E+01 volume
0.11042E+02 ppm1
1.250
ppm2
0.421

ASSI {13712}

((segid “PROT” and resid 50 and name HG11))

(segid “PROT” and resid 50 and name HG2%)

2.500
1.600
1.600 peak
13712
weight
0.10000E+01 volume
0.37929E+01 ppm1
0.830
ppm2
0.420

ASSI {13722}

((segid “PROT” and resid 78 and name HG))

(segid “PROT” and resid 59 and name HE%)

2.500
1.600
1.600 peak
13722
weight
0.10000E+01 volume
0.39705E+01 ppm1
0.704
ppm2
1.311

ASSI {13732}

(segid “PROT” and resid 50 and name HD1%)

(segid “PROT” and resid 50 and name HG2%)

2.000
1.000
1.000 peak
13732
weight
0.10000E+01 volume
0.14950E+02 ppm1
0.581
ppm2
0.419

ASSI {13742}

((segid “PROT” and resid 78 and name HB2))

(segid “PROT” and resid 59 and name HE%)

2.400
1.400
1.400 peak
13742
weight
0.10000E+01 volume
0.56802E+01 ppm1
0.475
ppm2
1.310

ASSI {13762}

((segid “PROT” and resid 50 and name HG12))

(segid “PROT” and resid 50 and name HG2%)

2.400
1.400
1.400 peak
13762
weight
0.10000E+01 volume
0.49893E+01 ppm1
0.188
ppm2
0.422

ASSI {13782}

((segid “PROT” and resid 54 and name HA))

(segid “PROT” and resid 54 and name HE%)

2.200
1.200
1.200 peak
13782
weight
0.10000E+01 volume
0.96092E+01 ppm1
4.986
ppm2
2.003

ASSI {13792}

((segid “PROT” and resid 77 and name HA))

(segid “PROT” and resid 54 and name HE%)

2.900
2.100
2.100 peak
13792
weight
0.10000E+01 volume
0.17796E+01 ppm1
4.395
ppm2
2.006

ASSI {13802}

((segid “PROT” and resid 54 and name HG1))

(segid “PROT” and resid 54 and name HE%)

2.400
1.400
1.400 peak
13802
weight
0.10000E+01 volume
0.54019E+01 ppm1
2.742
ppm2
2.001

ASSI {13812}

((segid “PROT” and resid 54 and name HB2))

(segid “PROT” and resid 54 and name HE%)

2.500
1.600
1.600 peak
13812
weight
0.10000E+01 volume
0.37957E+01 ppm1
1.383
ppm2
2.004

ASSI {13832}

(segid “PROT” and resid 81 and name HG1%)

(segid “PROT” and resid 54 and name HE%)

2.700
1.800
1.800 peak
13832
weight
0.10000E+01 volume
0.24284E+01 ppm1
0.510
ppm2
2.002

ASSI {13852}

((segid “PROT” and resid 98 and name HA))

(segid “PROT” and resid 101 and name HD1%)

2.400
1.400
1.400 peak
13852
weight
0.10000E+01 volume
0.57589E+01 ppm1
4.226
ppm2
0.997

ASSI {13862}

((segid “PROT” and resid 101 and name HA))

(segid “PROT” and resid 101 and name HD1%)

2.500
1.600
1.600 peak
13862
weight
0.10000E+01 volume
0.41504E+01 ppm1
3.695
ppm2
1.001

ASSI {13872}

((segid “PROT” and resid 18 and name HA))

(segid “PROT” and resid 21 and name HD1%)

2.600
1.700
1.700 peak
13872
weight
0.10000E+01 volume
0.31541E+01 ppm1
3.312
ppm2
0.653

ASSI {13892}

((segid “PROT” and resid 97 and name HB1))

(segid “PROT” and resid 101 and name HD1%)

2.800
2.000
2.000 peak
13892
weight
0.10000E+01 volume
0.19889E+01 ppm1
2.112
ppm2
0.993

ASSI {13902}

((segid “PROT” and resid 21 and name HB))

(segid “PROT” and resid 21 and name HD1%)

2.300
1.300
1.300 peak
13902
weight
0.10000E+01 volume
0.69789E+01 ppm1
1.951
ppm2
0.652

ASSI {13912}

((segid “PROT” and resid 101 and name HG11))

(segid “PROT” and resid 101 and name HD1%)

2.000
1.000
1.000 peak
13912
weight
0.10000E+01 volume
0.16613E+02 ppm1
1.897
ppm2
0.998

ASSI {13922}

((segid “PROT” and resid 21 and name HG11))

(segid “PROT” and resid 21 and name HD1%)

2.100
1.100
1.100 peak
13922
weight
0.10000E+01 volume
0.12244E+02 ppm1
1.786
ppm2
0.651

ASSI {13932}

((segid “PROT” and resid 109 and name HB2))

(segid “PROT” and resid 21 and name HD1%)

2.600
1.700
1.700 peak
13932
weight
0.10000E+01 volume
0.35134E+01 ppm1
1.581
ppm2
0.646

ASSI {13942}

(segid “PROT” and resid 113 and name HB%)

(segid “PROT” and resid 21 and name HD1%)

2.100
1.100
1.100 peak
13942
weight
0.10000E+01 volume
0.12667E+02 ppm1
1.411
ppm2
0.651

ASSI {13952}

((segid “PROT” and resid 101 and name HG12))

(segid “PROT” and resid 101 and name HD1%)

2.000
1.000
1.000 peak
13952
weight
0.10000E+01 volume
0.17265E+02 ppm1
1.239
ppm2
0.997

ASSI {13972}

(segid “PROT” and resid 21 and name HG2%)

(segid “PROT” and resid 21 and name HD1%)

1.900
0.900
0.900 peak
13972
weight
0.10000E+01 volume
0.21366E+02 ppm1
1.024
ppm2
0.651

ASSI {13992}

(segid “PROT” and resid 106 and name HD%)

(segid “PROT” and resid 110 and name HD1%)

2.800
2.000
2.000 peak
13992
weight
0.10000E+01 volume
0.21957E+01 ppm1
6.962
ppm2
0.566

ASSI {14002}

((segid “PROT” and resid 116 and name HA))

(segid “PROT” and resid 116 and name HD1%)

2.500
1.600
1.600 peak
14002
weight
0.10000E+01 volume
0.37164E+01 ppm1
4.274
ppm2
0.829

ASSI {14012}

((segid “PROT” and resid 75 and name HA))

(segid “PROT” and resid 116 and name HD1%)

2.800
2.000
2.000 peak
14012
weight
0.10000E+01 volume
0.22585E+01 ppm1
4.096
ppm2
0.828

ASSI {14052}

(segid “PROT” and resid 75 and name HE%)

(segid “PROT” and resid 116 and name HD1%)

2.700
1.800
1.800 peak
14052
weight
0.10000E+01 volume
0.23966E+01 ppm1
2.095
ppm2
0.826

ASSI {14082}

((segid “PROT” and resid 6 and name HD1))

(segid “PROT” and resid 116 and name HD1%)

2.900
2.100
2.100 peak
14082
weight
0.10000E+01 volume
0.18157E+01 ppm1
1.663
ppm2
0.826

ASSI {14092}

((segid “PROT” and resid 115 and name HB2))

(segid “PROT” and resid 110 and name HD1%)

2.600
1.700
1.700 peak
14092
weight
0.10000E+01 volume
0.33126E+01 ppm1
1.602
ppm2
0.575

ASSI {14102}

((segid “PROT” and resid 116 and name HG11))

(segid “PROT” and resid 116 and name HD1%)

2.100
1.100
1.100 peak
14102
weight
0.10000E+01 volume
0.13147E+02 ppm1
1.345
ppm2
0.826

ASSI {14112}

((segid “PROT” and resid 110 and name HG11))

(segid “PROT” and resid 110 and name HD1%)

2.200
1.200
1.200 peak
14112
weight
0.10000E+01 volume
0.10025E+02 ppm1
1.157
ppm2
0.578

ASSI {14132}

((segid “PROT” and resid 110 and name HG12))

(segid “PROT” and resid 110 and name HD1%)

2.100
1.100
1.100 peak
14132
weight
0.10000E+01 volume
0.11467E+02 ppm1
1.088
ppm2
0.578

ASSI {14142}

((segid “PROT” and resid 116 and name HG12))

(segid “PROT” and resid 116 and name HD1%)

2.000
1.000
1.000 peak
14142
weight
0.10000E+01 volume
0.15573E+02 ppm1
0.961
ppm2
0.825

ASSI {14152}

(segid “PROT” and resid 116 and name HD1%)

(segid “PROT” and resid 110 and name HD1%)

2.300
1.300
1.300 peak
14152
weight
0.10000E+01 volume
0.75073E+01 ppm1
0.844
ppm2
0.569

ASSI {14212}

((segid “PROT” and resid 84 and name HA))

(segid “PROT” and resid 50 and name HD1%)

2.200
1.200
1.200 peak
14212
weight
0.10000E+01 volume
0.81666E+01 ppm1
4.342
ppm2
0.580

ASSI {14222}

((segid “PROT” and resid 53 and name HA))

(segid “PROT” and resid 50 and name HD1%)

2.900
2.100
2.100 peak
14222
weight
0.10000E+01 volume
0.16892E+01 ppm1
4.122
ppm2
0.584

ASSI {14242}

((segid “PROT” and resid 84 and name HB1))

(segid “PROT” and resid 50 and name HD1%)

2.500
1.600
1.600 peak
14242
weight
0.10000E+01 volume
0.45606E+01 ppm1
3.035
ppm2
0.580

ASSI {14252}

((segid “PROT” and resid 88 and name HB1))

(segid “PROT” and resid 50 and name HD1%)

2.600
1.700
1.700 peak
14252
weight
0.10000E+01 volume
0.34453E+01 ppm1
2.949
ppm2
0.582

ASSI {14262}

((segid “PROT” and resid 84 and name HB2))

(segid “PROT” and resid 50 and name HD1%)

2.700
1.800
1.800 peak
14262
weight
0.10000E+01 volume
0.24442E+01 ppm1
2.714
ppm2
0.580

ASSI {14272}

((segid “PROT” and resid 87 and name HB1))

(segid “PROT” and resid 50 and name HD1%)

2.500
1.600
1.600 peak
14272
weight
0.10000E+01 volume
0.41877E+01 ppm1
2.234
ppm2
0.583

ASSI {14282}

((segid “PROT” and resid 87 and name HB2))

(segid “PROT” and resid 50 and name HD1%)

2.600
1.700
1.700 peak
14282
weight
0.10000E+01 volume
0.30054E+01 ppm1
2.059
ppm2
0.581

ASSI {14292}

((segid “PROT” and resid 50 and name HB))

(segid “PROT” and resid 50 and name HD1%)

2.500
1.600
1.600 peak
14292
weight
0.10000E+01 volume
0.43255E+01 ppm1
1.249
ppm2
0.580

ASSI {14302}

(segid “PROT” and resid 49 and name HG1%)

(segid “PROT” and resid 50 and name HD1%)

2.400
1.400
1.400 peak
14302
weight
0.10000E+01 volume
0.48009E+01 ppm1
0.954
ppm2
0.580

ASSI {14322}

((segid “PROT” and resid 50 and name HG11))

(segid “PROT” and resid 50 and name HD1%)

2.200
1.200
1.200 peak
14322
weight
0.10000E+01 volume
0.93672E+01 ppm1
0.834
ppm2
0.582

ASSI {14342}

((segid “PROT” and resid 50 and name HG12))

(segid “PROT” and resid 50 and name HD1%)

2.200
1.200
1.200 peak
14342
weight
0.10000E+01 volume
0.83520E+01 ppm1
0.190
ppm2
0.583

ASSI {14352}

((segid “PROT” and resid 6 and name HD1))

((segid “PROT” and resid 6 and name HA))

2.400
1.400
1.400 peak
14352
weight
0.10000E+01 volume
0.48806E+01 ppm1
1.680
ppm2
4.375

ASSI {14382}

((segid “PROT” and resid 7 and name HG1))

((segid “PROT” and resid 7 and name HB1))

1.800
0.800
0.800 peak
14382
weight
0.10000E+01 volume
0.31365E+02 ppm1
2.308
ppm2
2.086

ASSI {14422}

((segid “PROT” and resid 61 and name HB2))

((segid “PROT” and resid 61 and name HA))

2.000
1.000
1.000 peak
14422
weight
0.10000E+01 volume
0.15249E+02 ppm1
2.101
ppm2
4.084

ASSI {14462}

((segid “PROT” and resid 92 and name HG2))

((segid “PROT” and resid 92 and name HG1))

1.700
0.700
0.700 peak
14462
weight
0.10000E+01 volume
0.36116E+02 ppm1
2.266
ppm2
2.386

ASSI {14472}

((segid “PROT” and resid 94 and name HA))

((segid “PROT” and resid 94 and name HB2))

2.300
1.300
1.300 peak
14472
weight
0.10000E+01 volume
0.67398E+01 ppm1
4.244
ppm2
2.035

ASSI {14542}

(segid “PROT” and resid 41 and name HG2%)

((segid “PROT” and resid 41 and name HA))

2.200
1.200
1.200 peak
14542
weight
0.10000E+01 volume
0.86782E+01 ppm1
1.318
ppm2
4.097

ASSI {14582}

((segid “PROT” and resid 30 and name HA))

((segid “PROT” and resid 30 and name HB1))

3.100
2.400
2.400 peak
14582
weight
0.10000E+01 volume
0.12468E+01 ppm1
4.854
ppm2
4.344

ASSI {14632}

((segid “PROT” and resid 89 and name HB2))

((segid “PROT” and resid 89 and name HB1))

2.400
1.400
1.400 peak
14632
weight
0.10000E+01 volume
0.59384E+01 ppm1
2.904
ppm2
3.100

ASSI {14642}

((segid “PROT” and resid 10 and name HA))

((segid “PROT” and resid 10 and name HB2))

2.500
1.600
1.600 peak
14642
weight
0.10000E+01 volume
0.42768E+01 ppm1
4.918
ppm2
2.734

ASSI {14652}

((segid “PROT” and resid 12 and name HA))

((segid “PROT” and resid 12 and name HB2))

2.500
1.600
1.600 peak
14652
weight
0.10000E+01 volume
0.46107E+01 ppm1
4.723
ppm2
2.794

ASSI {14692}

((segid “PROT” and resid 13 and name HG2))

((segid “PROT” and resid 13 and name HA))

2.300
1.300
1.300 peak
14692
weight
0.10000E+01 volume
0.67869E+01 ppm1
2.430
ppm2
4.217

ASSI {14722}

((segid “PROT” and resid 20 and name HA))

((segid “PROT” and resid 23 and name HG1))

3.000
2.200
2.200 peak
14722
weight
0.10000E+01 volume
0.12728E+01 ppm1
4.319
ppm2
2.575

ASSI {14732}

((segid “PROT” and resid 20 and name HA))

((segid “PROT” and resid 23 and name HG2))

3.100
2.400
2.400 peak
14732
weight
0.10000E+01 volume
0.10567E+01 ppm1
4.319
ppm2
2.482

ASSI {14782}

((segid “PROT” and resid 23 and name HB2))

((segid “PROT” and resid 23 and name HA))

2.100
1.100
1.100 peak
14782
weight
0.10000E+01 volume
0.12638E+02 ppm1
2.272
ppm2
4.078

ASSI {14802}

((segid “PROT” and resid 23 and name HG2))

((segid “PROT” and resid 23 and name HB2))

2.100
1.100
1.100 peak
14802
weight
0.10000E+01 volume
0.11531E+02 ppm1
2.492
ppm2
2.247

ASSI {14822}

((segid “PROT” and resid 24 and name HB2))

((segid “PROT” and resid 24 and name HA))

2.300
1.300
1.300 peak
14822
weight
0.10000E+01 volume
0.73231E+01 ppm1
2.421
ppm2
4.227

ASSI {14842}

((segid “PROT” and resid 24 and name HG1))

((segid “PROT” and resid 24 and name HB2))

2.700
1.800
1.800 peak
14842
weight
0.10000E+01 volume
0.29089E+01 ppm1
2.891
ppm2
2.418

ASSI {14852}

((segid “PROT” and resid 21 and name HA))

((segid “PROT” and resid 24 and name HG1))

3.200
2.600
2.300 peak
14852
weight
0.10000E+01 volume
0.98750E+00 ppm1
3.800
ppm2
2.889

ASSI {14862}

((segid “PROT” and resid 29 and name HG1))

((segid “PROT” and resid 29 and name HA))

2.300
1.300
1.300 peak
14862
weight
0.10000E+01 volume
0.65450E+01 ppm1
2.506
ppm2
4.225

ASSI {14912}

((segid “PROT” and resid 79 and name HB1))

((segid “PROT” and resid 79 and name HG1))

2.100
1.100
1.100 peak
14912
weight
0.10000E+01 volume
0.13602E+02 ppm1
2.216
ppm2
2.463

ASSI {14922}

((segid “PROT” and resid 79 and name HB2))

((segid “PROT” and resid 79 and name HG1))

2.100
1.100
1.100 peak
14922
weight
0.10000E+01 volume
0.11814E+02 ppm1
2.118
ppm2
2.465

ASSI {14932}

((segid “PROT” and resid 56 and name HG))

((segid “PROT” and resid 34 and name HB1))

3.000
2.200
2.200 peak
14932
weight
0.10000E+01 volume
0.14093E+01 ppm1
1.768
ppm2
3.519

ASSI {14962}

((segid “PROT” and resid 56 and name HG))

((segid “PROT” and resid 34 and name HB2))

3.100
2.400
2.400 peak
14962
weight
0.10000E+01 volume
0.10685E+01 ppm1
1.761
ppm2
2.631

ASSI {14982}

((segid “PROT” and resid 53 and name HG1))

((segid “PROT” and resid 52 and name HA))

3.100
2.400
2.400 peak
14982
weight
0.10000E+01 volume
0.11187E+01 ppm1
2.273
ppm2
5.037

ASSI {15012}

((segid “PROT” and resid 82 and name HB2))

((segid “PROT” and resid 82 and name HA))

2.600
1.700
1.700 peak
15012
weight
0.10000E+01 volume
0.29905E+01 ppm1
3.033
ppm2
4.215

ASSI {15052}

(segid “PROT” and resid 102 and name HD2%)

((segid “PROT” and resid 106 and name HB2))

2.900
2.100
2.100 peak
15052
weight
0.10000E+01 volume
0.16469E+01 ppm1
0.767
ppm2
3.138

ASSI {15072}

((segid “PROT” and resid 18 and name HB1))

((segid “PROT” and resid 15 and name HA))

3.000
2.200
2.200 peak
15072
weight
0.10000E+01 volume
0.12939E+01 ppm1
1.550
ppm2
4.042

ASSI {15092}

((segid “PROT” and resid 62 and name HA))

((segid “PROT” and resid 67 and name HB2))

3.100
2.400
2.400 peak
15092
weight
0.10000E+01 volume
0.11858E+01 ppm1
3.919
ppm2
2.090

ASSI {15102}

((segid “PROT” and resid 68 and name HB1))

((segid “PROT” and resid 68 and name HA))

3.100
2.400
2.400 peak
15102
weight
0.10000E+01 volume
0.11603E+01 ppm1
3.114
ppm2
4.581

ASSI {15132}

((segid “PROT” and resid 62 and name HB2))

((segid “PROT” and resid 68 and name HB2))

3.300
2.700
2.200 peak
15132
weight
0.10000E+01 volume
0.82400E+00 ppm1
1.080
ppm2
2.966

ASSI {15142}

((segid “PROT” and resid 62 and name HB2))

((segid “PROT” and resid 68 and name HB1))

3.300
2.700
2.200 peak
15142
weight
0.10000E+01 volume
0.85460E+00 ppm1
1.077
ppm2
3.106

ASSI {15162}

((segid “PROT” and resid 57 and name HE1))

((segid “PROT” and resid 57 and name HA))

3.300
2.700
2.200 peak
15162
weight
0.10000E+01 volume
0.86210E+00 ppm1
2.603
ppm2
3.909

ASSI {15172}

((segid “PROT” and resid 28 and name HB1))

((segid “PROT” and resid 28 and name HA))

2.600
1.700
1.700 peak
15172
weight
0.10000E+01 volume
0.30616E+01 ppm1
3.016
ppm2
4.021

ASSI {15212}

((segid “PROT” and resid 28 and name HB2))

((segid “PROT” and resid 25 and name HA))

3.100
2.400
2.400 peak
15212
weight
0.10000E+01 volume
0.12595E+01 ppm1
2.817
ppm2
3.868

ASSI {15242}

(segid “PROT” and resid 25 and name HG2%)

((segid “PROT” and resid 25 and name HA))

2.300
1.300
1.300 peak
15242
weight
0.10000E+01 volume
0.70013E+01 ppm1
1.069
ppm2
3.871

ASSI {15262}

((segid “PROT” and resid 106 and name HB1))

(segid “PROT” and resid 25 and name HG1%)

3.200
2.600
2.300 peak
15262
weight
0.10000E+01 volume
0.94350E+00 ppm1
3.357
ppm2
1.244

ASSI {15292}

((segid “PROT” and resid 37 and name HA))

(segid “PROT” and resid 38 and name HG1%)

3.200
2.600
2.300 peak
15292
weight
0.10000E+01 volume
0.10144E+01 ppm1
4.278
ppm2
0.489

ASSI {15302}

((segid “PROT” and resid 55 and name HB1))

(segid “PROT” and resid 81 and name HG1%)

3.000
2.200
2.200 peak
15302
weight
0.10000E+01 volume
0.14883E+01 ppm1
2.400
ppm2
0.506

ASSI {15322}

((segid “PROT” and resid 43 and name HA))

(segid “PROT” and resid 38 and name HG2%)

3.000
2.200
2.200 peak
15322
weight
0.10000E+01 volume
0.12695E+01 ppm1
4.983
ppm2
−0.010

ASSI {15432}

((segid “PROT” and resid 82 and name HA))

(segid “PROT” and resid 81 and name HG2%)

3.000
2.200
2.200 peak
15432
weight
0.10000E+01 volume
0.14427E+01 ppm1
4.218
ppm2
0.155

ASSI {15452}

((segid “PROT” and resid 33 and name HG2))

((segid “PROT” and resid 33 and name HA))

3.200
2.600
2.300 peak
15452
weight
0.10000E+01 volume
0.88590E+00 ppm1
−0.871
ppm2
3.994

ASSI {15462}

((segid “PROT” and resid 33 and name HB1))

((segid “PROT” and resid 33 and name HA))

3.000
2.200
2.200 peak
15462
weight
0.10000E+01 volume
0.12852E+01 ppm1
1.064
ppm2
3.985

ASSI {15472}

((segid “PROT” and resid 14 and name HB2))

((segid “PROT” and resid 14 and name HA))

2.500
1.600
1.600 peak
15472
weight
0.10000E+01 volume
0.41749E+01 ppm1
1.597
ppm2
4.090

ASSI {15482}

((segid “PROT” and resid 14 and name HB1))

((segid “PROT” and resid 14 and name HA))

2.200
1.200
1.200 peak
15482
weight
0.10000E+01 volume
0.79299E+01 ppm1
1.913
ppm2
4.085

ASSI {15502}

(segid “PROT” and resid 17 and name HG2%)

((segid “PROT” and resid 14 and name HA))

3.100
2.400
2.400 peak
15502
weight
0.10000E+01 volume
0.11760E+01 ppm1
1.179
ppm2
4.098

ASSI {15512}

((segid “PROT” and resid 11 and name HA))

((segid “PROT” and resid 14 and name HB2))

3.000
2.200
2.200 peak
15512
weight
0.10000E+01 volume
0.13340E+01 ppm1
4.372
ppm2
1.592

ASSI {15522}

((segid “PROT” and resid 70 and name HN))

((segid “PROT” and resid 14 and name HG))

3.100
2.400
2.400 peak
15522
weight
0.10000E+01 volume
0.10950E+01 ppm1
7.488
ppm2
1.424

ASSI {15542}

((segid “PROT” and resid 70 and name HA))

(segid “PROT” and resid 14 and name HD2%)

3.100
2.400
2.400 peak
15542
weight
0.10000E+01 volume
0.11378E+01 ppm1
4.807
ppm2
0.833

ASSI {15552}

((segid “PROT” and resid 18 and name HB1))

((segid “PROT” and resid 18 and name HA))

2.800
2.000
2.000 peak
15552
weight
0.10000E+01 volume
0.22536E+01 ppm1
1.562
ppm2
3.316

ASSI {15562}

(segid “PROT” and resid 17 and name HG2%)

((segid “PROT” and resid 18 and name HA))

3.000
2.200
2.200 peak
15562
weight
0.10000E+01 volume
0.14142E+01 ppm1
1.178
ppm2
3.312

ASSI {15572}

((segid “PROT” and resid 21 and name HG12))

((segid “PROT” and resid 18 and name HA))

3.000
2.200
2.200 peak
15572
weight
0.10000E+01 volume
0.14946E+01 ppm1
1.071
ppm2
3.312

ASSI {15592}

((segid “PROT” and resid 18 and name HB2))

((segid “PROT” and resid 18 and name HA))

2.700
1.800
1.800 peak
15592
weight
0.10000E+01 volume
0.26695E+01 ppm1
0.342
ppm2
3.314

ASSI {15642}

((segid “PROT” and resid 18 and name HG))

((segid “PROT” and resid 18 and name HB2))

3.100
2.400
2.400 peak
15642
weight
0.10000E+01 volume
0.11294E+01 ppm1
1.704
ppm2
0.342

ASSI {15662}

(segid “PROT” and resid 74 and name HE %)

(segid “PROT” and resid 18 and name HD1%)

3.100
2.400
2.400 peak
15662
weight
0.10000E+01 volume
0.10555E+01 ppm1
6.968
ppm2
0.519

ASSI {15672}

(segid “PROT” and resid 68 and name HD %)

(segid “PROT” and resid 18 and name HD1%)

3.000
2.200
2.200 peak
15672
weight
0.10000E+01 volume
0.13402E+01 ppm1
7.213
ppm2
0.512

ASSI {15692}

((segid “PROT” and resid 17 and name HB))

(segid “PROT” and resid 18 and name HD2%)

3.000
2.200
2.200 peak
15692
weight
0.10000E+01 volume
0.14210E+01 ppm1
4.288
ppm2
−0.161

ASSI {15702}

((segid “PROT” and resid 22 and name HA))

((segid “PROT” and resid 22 and name HB1))

2.800
2.000
2.000 peak
15702
weight
0.10000E+01 volume
0.21005E+01 ppm1
4.154
ppm2
2.131

ASSI {15722}

(segid “PROT” and resid 22 and name HD1%)

((segid “PROT” and resid 22 and name HA))

2.700
1.800
1.800 peak
15722
weight
0.10000E+01 volume
0.23790E+01 ppm1
1.105
ppm2
4.152

ASSI {15762}

((segid “PROT” and resid 22 and name HA))

((segid “PROT” and resid 22 and name HG))

2.900
2.100
2.100 peak
15762
weight
0.10000E+01 volume
0.18179E+01 ppm1
4.155
ppm2
1.788

ASSI {15772}

((segid “PROT” and resid 22 and name HB2))

(segid “PROT” and resid 22 and name HD1%)

2.300
1.300
1.300 peak
15772
weight
0.10000E+01 volume
0.71485E+01 ppm1
1.734
ppm2
1.106

ASSI {15782}

((segid “PROT” and resid 22 and name HB2))

(segid “PROT” and resid 22 and name HD2%)

2.300
1.300
1.300 peak
15782
weight
0.10000E+01 volume
0.69966E+01 ppm1
1.730
ppm2
1.049

ASSI {15822}

((segid “PROT” and resid 56 and name HA))

((segid “PROT” and resid 56 and name HB1))

3.000
2.200
2.200 peak
15822
weight
0.10000E+01 volume
0.13848E+01 ppm1
4.066
ppm2
2.092

ASSI {15832}

((segid “PROT” and resid 56 and name HG))

((segid “PROT” and resid 56 and name HA))

2.500
1.600
1.600 peak
15832
weight
0.10000E+01 volume
0.45909E+01 ppm1
1.772
ppm2
4.074

ASSI {15842}

((segid “PROT” and resid 56 and name HG))

((segid “PROT” and resid 56 and name HB1))

2.400
1.400
1.400 peak
15842
weight
0.10000E+01 volume
0.48109E+01 ppm1
1.765
ppm2
2.115

ASSI {15852}

((segid “PROT” and resid 56 and name HA))

(segid “PROT” and resid 56 and name HD2%)

2.200
1.200
1.200 peak
15852
weight
0.10000E+01 volume
0.97607E+01 ppm1
4.064
ppm2
0.677

ASSI {15862}

((segid “PROT” and resid 56 and name HB1))

(segid “PROT” and resid 56 and name HD2%)

2.600
1.700
1.700 peak
15862
weight
0.10000E+01 volume
0.36257E+01 ppm1
2.123
ppm2
0.678

ASSI {15872}

(segid “PROT” and resid 56 and name HD1%)

(segid “PROT” and resid 56 and name HD2%)

2.000
1.000
1.000 peak
15872
weight
0.10000E+01 volume
0.14850E+02 ppm1
0.980
ppm2
0.676

ASSI {15882}

(segid “PROT” and resid 22 and name HD2%)

(segid “PROT” and resid 56 and name HD2%)

2.000
1.000
1.000 peak
15882
weight
0.10000E+01 volume
0.15848E+02 ppm1
1.058
ppm2
0.676

ASSI {15902}

(segid “PROT” and resid 59 and name HE %)

(segid “PROT” and resid 56 and name HD2%)

3.200
2.600
2.300 peak
15902
weight
0.10000E+01 volume
0.10042E+01 ppm1
1.306
ppm2
0.675

ASSI {15912}

((segid “PROT” and resid 25 and name HB))

(segid “PROT” and resid 56 and name HD2%)

3.200
2.600
2.300 peak
15912
weight
0.10000E+01 volume
0.99240E+00 ppm1
2.443
ppm2
0.681

ASSI {15922}

((segid “PROT” and resid 59 and name HG1))

(segid “PROT” and resid 56 and name HD2%)

3.100
2.400
2.400 peak
15922
weight
0.10000E+01 volume
0.12677E+01 ppm1
2.648
ppm2
0.680

ASSI {15932}

((segid “PROT” and resid 34 and name HB1))

(segid “PROT” and resid 56 and name HD2%)

3.100
2.400
2.400 peak
15932
weight
0.10000E+01 volume
0.11626E+01 ppm1
3.513
ppm2
0.676

ASSI {15942}

((segid “PROT” and resid 35 and name HA))

(segid “PROT” and resid 56 and name HD2%)

3.000
2.200
2.200 peak
15942
weight
0.10000E+01 volume
0.14845E+01 ppm1
4.342
ppm2
0.676

ASSI {15952}

(segid “PROT” and resid 78 and name HD2%)

(segid “PROT” and resid 56 and name HD1%)

3.300
2.700
2.200 peak
15952
weight
0.10000E+01 volume
0.84570E+00 ppm1
0.179
ppm2
0.984

ASSI {15972}

((segid “PROT” and resid 31 and name HA))

(segid “PROT” and resid 56 and name HD1%)

3.200
2.600
2.300 peak
15972
weight
0.10000E+01 volume
0.10184E+01 ppm1
4.434
ppm2
0.979

ASSI {15982}

(segid “PROT” and resid 63 and name HD1%)

((segid “PROT” and resid 63 and name HA))

3.200
2.600
2.300 peak
15982
weight
0.10000E+01 volume
0.98600E+00 ppm1
0.919
ppm2
4.719

ASSI {15992}

((segid “PROT” and resid 63 and name HG))

((segid “PROT” and resid 63 and name HA))

3.100
2.400
2.400 peak
15992
weight
0.10000E+01 volume
0.11802E+01 ppm1
1.865
ppm2
4.719

ASSI {16002}

((segid “PROT” and resid 63 and name HB2))

((segid “PROT” and resid 63 and name HA))

3.000
2.200
2.200 peak
16002
weight
0.10000E+01 volume
0.14688E+01 ppm1
1.972
ppm2
4.719

ASSI {16012}

((segid “PROT” and resid 67 and name HB2))

((segid “PROT” and resid 63 and name HA))

3.400
2.900
2.100 peak
16012
weight
0.10000E+01 volume
0.71580E+00 ppm1
2.086
ppm2
4.719

ASSI {16052}

((segid “PROT” and resid 63 and name HA))

((segid “PROT” and resid 63 and name HB1))

3.000
2.200
2.200 peak
16052
weight
0.10000E+01 volume
0.14729E+01 ppm1
4.717
ppm2
2.352

ASSI {16092}

((segid “PROT” and resid 63 and name HG))

(segid “PROT” and resid 63 and name HD1%)

2.200
1.200
1.200 peak
16092
weight
0.10000E+01 volume
0.90416E+01 ppm1
1.852
ppm2
0.922

ASSI {16102}

((segid “PROT” and resid 63 and name HB2))

(segid “PROT” and resid 63 and name HD1%)

2.500
1.600
1.600 peak
16102
weight
0.10000E+01 volume
0.45661E+01 ppm1
1.966
ppm2
0.923

ASSI {16112}

((segid “PROT” and resid 63 and name HB1))

(segid “PROT” and resid 63 and name HD1%)

2.400
1.400
1.400 peak
16112
weight
0.10000E+01 volume
0.51188E+01 ppm1
2.355
ppm2
0.918

ASSI {16142}

((segid “PROT” and resid 63 and name HB2))

(segid “PROT” and resid 63 and name HD2%)

2.400
1.400
1.400 peak
16142
weight
0.10000E+01 volume
0.52687E+01 ppm1
1.965
ppm2
1.078

ASSI {16152}

((segid “PROT” and resid 73 and name HG))

((segid “PROT” and resid 73 and name HA))

2.500
1.600
1.600 peak
16152
weight
0.10000E+01 volume
0.40193E+01 ppm1
1.802
ppm2
4.260

ASSI {16182}

((segid “PROT” and resid 68 and name HA))

((segid “PROT” and resid 73 and name HB1))

3.200
2.600
2.300 peak
16182
weight
0.10000E+01 volume
0.87100E+00 ppm1
4.581
ppm2
2.019

ASSI {16192}

((segid “PROT” and resid 68 and name HA))

((segid “PROT” and resid 73 and name HB2))

3.200
2.600
2.300 peak
16192
weight
0.10000E+01 volume
0.87570E+00 ppm1
4.575
ppm2
1.929

ASSI {16202}

(segid “PROT” and resid 68 and name HE %)

((segid “PROT” and resid 73 and name HB2))

3.000
2.200
2.200 peak
16202
weight
0.10000E+01 volume
0.13823E+01 ppm1
7.316
ppm2
1.918

ASSI {16232}

(segid “PROT” and resid 68 and name HD %)

((segid “PROT” and resid 73 and name HG))

3.000
2.200
2.200 peak
16232
weight
0.10000E+01 volume
0.14152E+01 ppm1
7.214
ppm2
1.805

ASSI {16262}

((segid “PROT” and resid 68 and name HA))

(segid “PROT” and resid 73 and name HD2%)

3.000
2.200
2.200 peak
16262
weight
0.10000E+01 volume
0.13485E+01 ppm1
4.573
ppm2
0.922

ASSI {16272}

(segid “PROT” and resid 68 and name HD %)

(segid “PROT” and resid 73 and name HD2%)

3.000
2.200
2.200 peak
16272
weight
0.10000E+01 volume
0.13605E+01 ppm1
7.216
ppm2
0.927

ASSI {16282}

(segid “PROT” and resid 68 and name HE %)

(segid “PROT” and resid 73 and name HD2%)

3.000
2.200
2.200 peak
16282
weight
0.10000E+01 volume
0.14572E+01 ppm1
7.317
ppm2
0.931

ASSI {16292}

(segid “PROT” and resid 68 and name HE %)

(segid “PROT” and resid 73 and name HD1%)

3.100
2.400
2.400 peak
16292
weight
0.10000E+01 volume
0.12364E+01 ppm1
7.315
ppm2
0.976

ASSI {16302}

((segid “PROT” and resid 78 and name HG))

((segid “PROT” and resid 78 and name HA))

2.600
1.700
1.700 peak
16302
weight
0.10000E+01 volume
0.36564E+01 ppm1
0.695
ppm2
3.417

ASSI {16312}

((segid “PROT” and resid 78 and name HB2))

((segid “PROT” and resid 78 and name HA))

2.400
1.400
1.400 peak
16312
weight
0.10000E+01 volume
0.51147E+01 ppm1
0.467
ppm2
3.415

ASSI {16332}

((segid “PROT” and resid 78 and name HB1))

(segid “PROT” and resid 78 and name HD2%)

2.300
1.300
1.300 peak
16332
weight
0.10000E+01 volume
0.63946E+01 ppm1
0.742
ppm2
0.197

ASSI {16352}

((segid “PROT” and resid 78 and name HB2))

(segid “PROT” and resid 78 and name HD1%)

2.400
1.400
1.400 peak
16352
weight
0.10000E+01 volume
0.55770E+01 ppm1
0.476
ppm2
0.092

ASSI {16392}

((segid “PROT” and resid 81 and name HB))

(segid “PROT” and resid 78 and name HD1%)

3.200
2.600
2.300 peak
16392
weight
0.10000E+01 volume
0.10149E+01 ppm1
1.461
ppm2
0.093

ASSI {16402}

((segid “PROT” and resid 106 and name HB2))

(segid “PROT” and resid 78 and name HD1%)

3.000
2.200
2.200 peak
16402
weight
0.10000E+01 volume
0.14513E+01 ppm1
3.146
ppm2
0.091

ASSI {16422}

((segid “PROT” and resid 102 and name HG))

((segid “PROT” and resid 102 and name HB1))

2.600
1.700
1.700 peak
16422
weight
0.10000E+01 volume
0.30300E+01 ppm1
1.593
ppm2
1.484

ASSI {16442}

((segid “PROT” and resid 102 and name HG))

(segid “PROT” and resid 102 and name HD1%)

1.900
0.900
0.900 peak
16442
weight
0.10000E+01 volume
0.19614E+02 ppm1
1.596
ppm2
0.756

ASSI {16462}

((segid “PROT” and resid 102 and name HA))

(segid “PROT” and resid 102 and name HD1%)

2.700
1.800
1.800 peak
16462
weight
0.10000E+01 volume
0.28719E+01 ppm1
3.722
ppm2
0.763

ASSI {16472}

(segid “PROT” and resid 82 and name HE%)

((segid “PROT” and resid 102 and name HB2))

3.300
2.700
2.200 peak
16472
weight
0.10000E+01 volume
0.74030E+00 ppm1
6.487
ppm2
1.270

ASSI {16492}

(segid “PROT” and resid 102 and name HD2%)

((segid “PROT” and resid 102 and name HG))

2.100
1.100
1.100 peak
16492
weight
0.10000E+01 volume
0.12673E+02 ppm1
0.763
ppm2
1.591

ASSI {16512}

((segid “PROT” and resid 28 and name HD2))

(segid “PROT” and resid 102 and name HD2%)

3.000
2.200
2.200 peak
16512
weight
0.10000E+01 volume
0.14555E+01 ppm1
5.006
ppm2
0.767

ASSI {16552}

(segid “PROT” and resid 115 and name HD1%)

((segid “PROT” and resid 115 and name HA))

2.200
1.200
1.200 peak
16552
weight
0.10000E+01 volume
0.80718E+01 ppm1
0.763
ppm2
4.251

ASSI {16572}

((segid “PROT” and resid 21 and name HB))

((segid “PROT” and resid 21 and name HA))

2.700
1.800
1.800 peak
16572
weight
0.10000E+01 volume
0.25287E+01 ppm1
1.948
ppm2
3.798

ASSI {16582}

((segid “PROT” and resid 21 and name HG11))

((segid “PROT” and resid 21 and name HA))

2.600
1.700
1.700 peak
16582
weight
0.10000E+01 volume
0.33367E+01 ppm1
1.786
ppm2
3.802

ASSI {16602}

((segid “PROT” and resid 21 and name HG12))

((segid “PROT” and resid 21 and name HA))

2.500
1.600
1.600 peak
16602
weight
0.10000E+01 volume
0.46692E+01 ppm1
1.074
ppm2
3.798

ASSI {16622}

((segid “PROT” and resid 24 and name HG2))

((segid “PROT” and resid 21 and name HA))

2.700
1.800
1.800 peak
16622
weight
0.10000E+01 volume
0.26895E+01 ppm1
2.502
ppm2
3.797

ASSI {16632}

((segid “PROT” and resid 24 and name HB2))

((segid “PROT” and resid 21 and name HA))

3.200
2.600
2.300 peak
16632
weight
0.10000E+01 volume
0.10089E+01 ppm1
2.430
ppm2
3.797

ASSI {16642}

((segid “PROT” and resid 21 and name HA))

(segid “PROT” and resid 21 and name HD1%)

2.500
1.600
1.600 peak
16642
weight
0.10000E+01 volume
0.40517E+01 ppm1
3.800
ppm2
0.655

ASSI {16652}

((segid “PROT” and resid 21 and name HG12))

((segid “PROT” and resid 21 and name HB))

2.600
1.700
1.700 peak
16652
weight
0.10000E+01 volume
0.33647E+01 ppm1
1.074
ppm2
1.950

ASSI {16672}

((segid “PROT” and resid 21 and name HB))

(segid “PROT” and resid 21 and name HG2%)

2.000
1.000
1.000 peak
16672
weight
0.10000E+01 volume
0.16452E+02 ppm1
1.947
ppm2
1.019

ASSI {16682}

(segid “PROT” and resid 18 and name HD2%)

((segid “PROT” and resid 21 and name HB))

3.300
2.700
2.200 peak
16682
weight
0.10000E+01 volume
0.83910E+00 ppm1
−0.157
ppm2
1.947

ASSI {16692}

((segid “PROT” and resid 109 and name HD1))

((segid “PROT” and resid 21 and name HG12))

3.100
2.400
2.400 peak
16692
weight
0.10000E+01 volume
0.12669E+01 ppm1
1.416
ppm2
1.077

ASSI {16702}

(segid “PROT” and resid 106 and name HD%)

((segid “PROT” and resid 21 and name HG11))

3.300
2.700
2.200 peak
16702
weight
0.10000E+01 volume
0.73640E+00 ppm1
6.962
ppm2
1.781

ASSI {16712}

((segid “PROT” and resid 21 and name HG12))

(segid “PROT” and resid 21 and name HD1%)

2.100
1.100
1.100 peak
16712
weight
0.10000E+01 volume
0.12596E+02 ppm1
1.078
ppm2
0.650

ASSI {16722}

(segid “PROT” and resid 18 and name HD2%)

(segid “PROT” and resid 21 and name HG2%)

3.000
2.200
2.200 peak
16722
weight
0.10000E+01 volume
0.13840E+01 ppm1
−0.159
ppm2
1.020

ASSI {16742}

((segid “PROT” and resid 17 and name HA))

(segid “PROT” and resid 21 and name HD1%)

3.100
2.400
2.400 peak
16742
weight
0.10000E+01 volume
0.11559E+01 ppm1
3.975
ppm2
0.660

ASSI {16782}

((segid “PROT” and resid 47 and name HA))

((segid “PROT” and resid 50 and name HB))

3.200
2.600
2.300 peak
16782
weight
0.10000E+01 volume
0.98740E+00 ppm1
4.139
ppm2
1.249

ASSI {16792}

((segid “PROT” and resid 50 and name HB))

((segid “PROT” and resid 50 and name HA))

2.600
1.700
1.700 peak
16792
weight
0.10000E+01 volume
0.33271E+01 ppm1
1.252
ppm2
3.951

ASSI {16822}

((segid “PROT” and resid 50 and name HA))

((segid “PROT” and resid 50 and name HG12))

3.000
2.200
2.200 peak
16822
weight
0.10000E+01 volume
0.14239E+01 ppm1
3.956
ppm2
0.190

ASSI {16832}

((segid “PROT” and resid 53 and name HG2))

((segid “PROT” and resid 50 and name HB))

3.300
2.700
2.200 peak
16832
weight
0.10000E+01 volume
0.81300E+00 ppm1
1.933
ppm2
1.256

ASSI {16842}

((segid “PROT” and resid 50 and name HB))

((segid “PROT” and resid 50 and name HG11))

2.600
1.700
1.700 peak
16842
weight
0.10000E+01 volume
0.29784E+01 ppm1
1.250
ppm2
0.830

ASSI {16882}

((segid “PROT” and resid 49 and name HB))

((segid “PROT” and resid 50 and name HG12))

3.300
2.700
2.200 peak
16882
weight
0.10000E+01 volume
0.76190E+00 ppm1
1.928
ppm2
0.182

ASSI {16892}

((segid “PROT” and resid 49 and name HB))

(segid “PROT” and resid 50 and name HD1%)

3.100
2.400
2.400 peak
16892
weight
0.10000E+01 volume
0.12022E+01 ppm1
1.926
ppm2
0.586

ASSI {16902}

((segid “PROT” and resid 87 and name HG1))

(segid “PROT” and resid 50 and name HD1%)

3.200
2.600
2.300 peak
16902
weight
0.10000E+01 volume
0.92330E+00 ppm1
2.438
ppm2
0.586

ASSI {16912}

((segid “PROT” and resid 85 and name HN))

(segid “PROT” and resid 50 and name HD1%)

3.200
2.600
2.300 peak
16912
weight
0.10000E+01 volume
0.98650E+00 ppm1
6.889
ppm2
0.579

ASSI {16952}

((segid “PROT” and resid 53 and name HD1))

(segid “PROT” and resid 50 and name HG2%)

3.200
2.600
2.300 peak
16952
weight
0.10000E+01 volume
0.98080E+00 ppm1
3.648
ppm2
0.420

ASSI {16982}

((segid “PROT” and resid 104 and name HD1))

((segid “PROT” and resid 101 and name HA))

3.100
2.400
2.400 peak
16982
weight
0.10000E+01 volume
0.10838E+01 ppm1
1.729
ppm2
3.693

ASSI {16992}

((segid “PROT” and resid 101 and name HB))

((segid “PROT” and resid 101 and name HG12))

2.400
1.400
1.400 peak
16992
weight
0.10000E+01 volume
0.51879E+01 ppm1
1.948
ppm2
1.241

ASSI {17012}

((segid “PROT” and resid 101 and name HB))

(segid “PROT” and resid 101 and name HD1%)

2.100
1.100
1.100 peak
17012
weight
0.10000E+01 volume
0.11433E+02 ppm1
1.949
ppm2
0.993

ASSI {17022}

((segid “PROT” and resid 101 and name HB))

(segid “PROT” and resid 101 and name HG2%)

1.900
0.900
0.900 peak
17022
weight
0.10000E+01 volume
0.20229E+02 ppm1
1.949
ppm2
1.032

ASSI {17032}

((segid “PROT” and resid 101 and name HG11))

(segid “PROT” and resid 101 and name HG2%)

2.100
1.100
1.100 peak
17032
weight
0.10000E+01 volume
0.10554E+02 ppm1
1.899
ppm2
1.032

ASSI {17042}

((segid “PROT” and resid 30 and name HB1))

((segid “PROT” and resid 101 and name HB))

3.200
2.600
2.300 peak
17042
weight
0.10000E+01 volume
0.89790E+00 ppm1
4.360
ppm2
1.943

ASSI {17082}

((segid “PROT” and resid 101 and name HG12))

(segid “PROT” and resid 101 and name HG2%)

2.100
1.100
1.100 peak
17082
weight
0.10000E+01 volume
0.11790E+02 ppm1
1.241
ppm2
1.032

ASSI {17122}

((segid “PROT” and resid 30 and name HB1))

(segid “PROT” and resid 101 and name HD1%)

3.000
2.200
2.200 peak
17122
weight
0.10000E+01 volume
0.13541E+01 ppm1
4.342
ppm2
0.990

ASSI {17152}

((segid “PROT” and resid 110 and name HA))

((segid “PROT” and resid 110 and name HG12))

2.400
1.400
1.400 peak
17152
weight
0.10000E+01 volume
0.54547E+01 ppm1
3.863
ppm2
1.098

ASSI {17162}

((segid “PROT” and resid 110 and name HB))

(segid “PROT” and resid 110 and name HD1%)

2.300
1.300
1.300 peak
17162
weight
0.10000E+01 volume
0.78140E+01 ppm1
1.798
ppm2
0.575

ASSI {17192}

(segid “PROT” and resid 110 and name HG2%)

(segid “PROT” and resid 110 and name HD1%)

1.900
0.900
0.900 peak
17192
weight
0.10000E+01 volume
0.19792E+02 ppm1
0.694
ppm2
0.568

ASSI {17232}

((segid “PROT” and resid 75 and name HB2))

(segid “PROT” and resid 110 and name HD1%)

3.100
2.400
2.400 peak
17232
weight
0.10000E+01 volume
0.11996E+01 ppm1
2.651
ppm2
0.571

ASSI {17282}

(segid “PROT” and resid 116 and name HD1%)

((segid “PROT” and resid 116 and name HB))

2.100
1.100
1.100 peak
17282
weight
0.10000E+01 volume
0.10804E+02 ppm1
0.832
ppm2
1.851

ASSI {17292}

(segid “PROT” and resid 110 and name HD1%)

((segid “PROT” and resid 116 and name HB))

3.200
2.600
2.300 peak
17292
weight
0.10000E+01 volume
0.95100E+00 ppm1
0.564
ppm2
1.846

ASSI {17312}

((segid “PROT” and resid 9 and name HA))

((segid “PROT” and resid 9 and name HB2))

2.400
1.400
1.400 peak
17312
weight
0.10000E+01 volume
0.58458E+01 ppm1
4.363
ppm2
1.828

ASSI {17322}

((segid “PROT” and resid 9 and name HD1))

((segid “PROT” and resid 9 and name HB2))

2.500
1.600
1.600 peak
17322
weight
0.10000E+01 volume
0.39205E+01 ppm1
3.223
ppm2
1.831

ASSI {17332}

((segid “PROT” and resid 9 and name HB1))

((segid “PROT” and resid 9 and name HD1))

2.300
1.300
1.300 peak
17332
weight
0.10000E+01 volume
0.77754E+01 ppm1
1.879
ppm2
3.221

ASSI {17362}

((segid “PROT” and resid 51 and name HG1))

((segid “PROT” and resid 51 and name HA))

2.500
1.600
1.600 peak
17362
weight
0.10000E+01 volume
0.39373E+01 ppm1
1.354
ppm2
3.879

ASSI {17372}

((segid “PROT” and resid 51 and name HB1))

((segid “PROT” and resid 51 and name HA))

2.400
1.400
1.400 peak
17372
weight
0.10000E+01 volume
0.53335E+01 ppm1
1.390
ppm2
3.877

ASSI {17382}

((segid “PROT” and resid 51 and name HB1))

((segid “PROT” and resid 51 and name HD1))

2.300
1.300
1.300 peak
17382
weight
0.10000E+01 volume
0.65385E+01 ppm1
1.382
ppm2
3.022

ASSI {17402}

((segid “PROT” and resid 51 and name HA))

((segid “PROT” and resid 51 and name HG2))

2.300
1.300
1.300 peak
17402
weight
0.10000E+01 volume
0.65716E+01 ppm1
3.878
ppm2
1.196

ASSI {17442}

((segid “PROT” and resid 51 and name HG2))

((segid “PROT” and resid 51 and name HB1))

1.900
0.900
0.900 peak
17442
weight
0.10000E+01 volume
0.20102E+02 ppm1
1.197
ppm2
1.381

ASSI {17452}

((segid “PROT” and resid 51 and name HG2))

((segid “PROT” and resid 51 and name HG1))

2.000
1.000
1.000 peak
17452
weight
0.10000E+01 volume
0.17189E+02 ppm1
1.196
ppm2
1.350

ASSI {17472}

(segid “PROT” and resid 110 and name HG2%)

((segid “PROT” and resid 116 and name HG11))

3.000
2.200
2.200 peak
17472
weight
0.10000E+01 volume
0.13662E+01 ppm1
0.683
ppm2
1.349

ASSI {17482}

(segid “PROT” and resid 110 and name HD1%)

((segid “PROT” and resid 116 and name HG11))

3.100
2.400
2.400 peak
17482
weight
0.10000E+01 volume
0.10860E+01 ppm1
0.568
ppm2
1.350

ASSI {17502}

((segid “PROT” and resid 66 and name HB2))

((segid “PROT” and resid 66 and name HA))

2.300
1.300
1.300 peak
17502
weight
0.10000E+01 volume
0.62411E+01 ppm1
2.051
ppm2
4.445

ASSI {17512}

((segid “PROT” and resid 66 and name HA))

((segid “PROT” and resid 66 and name HG2))

2.500
1.600
1.600 peak
17512
weight
0.10000E+01 volume
0.37845E+01 ppm1
4.442
ppm2
1.564

ASSI {17532}

((segid “PROT” and resid 66 and name HA))

((segid “PROT” and resid 66 and name HD2))

2.300
2.300
2.200 peak
17532
weight
0.10000E+01 volume
0.71490E+01 ppm1
4.443
ppm2
3.061

ASSI {17542}

((segid “PROT” and resid 66 and name HD1))

((segid “PROT” and resid 66 and name HB2))

3.100
2.400
2.400 peak
17542
weight
0.10000E+01 volume
0.12368E+01 ppm1
3.103
ppm2
2.051

ASSI {17552}

((segid “PROT” and resid 66 and name HD2))

((segid “PROT” and resid 66 and name HB1))

3.000
2.200
2.200 peak
17552
weight
0.10000E+01 volume
0.12950E+01 ppm1
3.068
ppm2
2.124

ASSI {17562}

((segid “PROT” and resid 66 and name HD1))

((segid “PROT” and resid 66 and name HB1))

3.100
2.400
2.400 peak
17562
weight
0.10000E+01 volume
0.12382E+01 ppm1
3.103
ppm2
2.124

ASSI {17572}

((segid “PROT” and resid 66 and name HD1))

((segid “PROT” and resid 66 and name HG2))

2.500
1.600
1.600 peak
17572
weight
0.10000E+01 volume
0.38907E+01 ppm1
3.103
ppm2
1.564

ASSI {17582}

((segid “PROT” and resid 66 and name HD2))

((segid “PROT” and resid 66 and name HG1))

2.500
1.600
1.600 peak
17582
weight
0.10000E+01 volume
0.40198E+01 ppm1
3.063
ppm2
1.614

ASSI {17592}

((segid “PROT” and resid 66 and name HD2))

((segid “PROT” and resid 66 and name HG2))

2.600
1.700
1.700 peak
17592
weight
0.10000E+01 volume
0.35354E+01 ppm1
3.065
ppm2
1.564

ASSI {17612}

((segid “PROT” and resid 80 and name HD2))

((segid “PROT” and resid 80 and name HB2))

3.000
2.200
2.200 peak
17612
weight
0.10000E+01 volume
0.14931E+01 ppm1
3.325
ppm2
1.958

ASSI {17632}

((segid “PROT” and resid 80 and name HB2))

((segid “PROT” and resid 80 and name HA))

2.400
1.400
1.400 peak
17632
weight
0.10000E+01 volume
0.57680E+01 ppm1
1.956
ppm2
4.098

ASSI {17652}

((segid “PROT” and resid 80 and name HG1))

((segid “PROT” and resid 80 and name HA))

2.300
1.300
1.300 peak
17652
weight
0.10000E+01 volume
0.72244E+01 ppm1
1.783
ppm2
4.098

ASSI {17672}

((segid “PROT” and resid 19 and name HB2))

((segid “PROT” and resid 19 and name HA))

2.500
1.600
1.600 peak
17672
weight
0.10000E+01 volume
0.39072E+01 ppm1
1.408
ppm2
3.718

ASSI {17692}

((segid “PROT” and resid 19 and name HA))

((segid “PROT” and resid 19 and name HD1))

2.900
2.100
2.100 peak
17692
weight
0.10000E+01 volume
0.16489E+01 ppm1
3.722
ppm2
1.622

ASSI {17712}

((segid “PROT” and resid 22 and name HB1))

((segid “PROT” and resid 19 and name HA))

2.900
2.100
2.100 peak
17712
weight
0.10000E+01 volume
0.18959E+01 ppm1
2.124
ppm2
3.718

ASSI {17752}

((segid “PROT” and resid 109 and name HE1))

((segid “PROT” and resid 109 and name HA))

3.300
2.700
2.200 peak
17752
weight
0.10000E+01 volume
0.80270E+00 ppm1
2.619
ppm2
4.069

ASSI {17772}

((segid “PROT” and resid 109 and name HA))

((segid “PROT” and resid 109 and name HB1))

2.400
1.400
1.400 peak
17772
weight
0.10000E+01 volume
0.47284E+01 ppm1
4.070
ppm2
1.762

ASSI {17802}

((segid “PROT” and resid 109 and name HD1))

((segid “PROT” and resid 109 and name HB1))

2.400
1.400
1.400 peak
17802
weight
0.10000E+01 volume
0.55212E+01 ppm1
1.415
ppm2
1.770

ASSI {17812}

((segid “PROT” and resid 109 and name HD1))

((segid “PROT” and resid 109 and name HB2))

2.700
1.800
1.800 peak
17812
weight
0.10000E+01 volume
0.25524E+01 ppm1
1.415
ppm2
1.587

ASSI {17822}

(segid “PROT” and resid 21 and name HD1%)

((segid “PROT” and resid 109 and name HB1))

3.300
2.700
2.200 peak
17822
weight
0.10000E+01 volume
0.75320E+00 ppm1
0.658
ppm2
1.765

ASSI {17842}

(segid “PROT” and resid 21 and name HG2%)

((segid “PROT” and resid 109 and name HB1))

3.200
2.600
2.300 peak
17842
weight
0.10000E+01 volume
0.10322E+01 ppm1
1.023
ppm2
1.765

ASSI {17862}

((segid “PROT” and resid 109 and name HB1))

((segid “PROT” and resid 109 and name HB2))

2.200
1.200
1.200 peak
17862
weight
0.10000E+01 volume
0.97810E+01 ppm1
1.762
ppm2
1.587

ASSI {17872}

((segid “PROT” and resid 111 and name HA))

((segid “PROT” and resid 111 and name HE1))

2.600
1.700
1.700 peak
17872
weight
0.10000E+01 volume
0.29552E+01 ppm1
4.081
ppm2
2.942

ASSI {17882}

((segid “PROT” and resid 111 and name HG2))

((segid “PROT” and resid 111 and name HA))

2.600
1.700
1.700 peak
17882
weight
0.10000E+01 volume
0.34200E+01 ppm1
1.348
ppm2
4.085

ASSI {17892}

((segid “PROT” and resid 111 and name HG1))

((segid “PROT” and resid 111 and name HA))

2.500
1.600
1.600 peak
17892
weight
0.10000E+01 volume
0.42726E+01 ppm1
1.450
ppm2
4.085

ASSI {17902}

((segid “PROT” and resid 111 and name HB2))

((segid “PROT” and resid 111 and name HA))

2.100
1.100
1.100 peak
17902
weight
0.10000E+01 volume
0.12554E+02 ppm1
1.791
ppm2
4.077

ASSI {17912}

((segid “PROT” and resid 111 and name HE1))

((segid “PROT” and resid 111 and name HB2))

3.300
2.700
2.200 peak
17912
weight
0.10000E+01 volume
0.85920E+00 ppm1
2.954
ppm2
1.785

ASSI {17922}

((segid “PROT” and resid 111 and name HG2))

((segid “PROT” and resid 111 and name HB2))

2.300
1.300
1.300 peak
17922
weight
0.10000E+01 volume
0.63823E+01 ppm1
1.349
ppm2
1.793

ASSI {17932}

((segid “PROT” and resid 111 and name HG1))

((segid “PROT” and resid 111 and name HB1))

2.200
1.200
1.200 peak
17932
weight
0.10000E+01 volume
0.87727E+01 ppm1
1.451
ppm2
1.913

ASSI {17962}

((segid “PROT” and resid 111 and name HD1))

((segid “PROT” and resid 111 and name HG1))

1.700
0.700
0.700 peak
17962
weight
0.10000E+01 volume
0.37190E+02 ppm1
1.643
ppm2
1.450

ASSI {17972}

((segid “PROT” and resid 8 and name HA))

((segid “PROT” and resid 8 and name HB2))

2.500
1.600
1.600 peak
17972
weight
0.10000E+01 volume
0.37603E+01 ppm1
4.463
ppm2
1.917

ASSI {17992}

((segid “PROT” and resid 8 and name HA))

((segid “PROT” and resid 8 and name HD2))

3.300
2.700
2.200 peak
17992
weight
0.10000E+01 volume
0.82050E+00 ppm1
4.463
ppm2
3.708

ASSI {18002}

((segid “PROT” and resid 8 and name HD1))

((segid “PROT” and resid 8 and name HA))

3.000
2.200
2.200 peak
18002
weight
0.10000E+01 volume
0.14398E+01 ppm1
3.873
ppm2
4.445

ASSI {18102}

((segid “PROT” and resid 37 and name HA))

((segid “PROT” and resid 37 and name HG2))

2.700
1.800
1.800 peak
18102
weight
0.10000E+01 volume
0.24227E+01 ppm1
4.277
ppm2
2.039

ASSI {18112}

((segid “PROT” and resid 37 and name HA))

((segid “PROT” and resid 37 and name HD1))

3.000
2.200
2.200 peak
18112
weight
0.10000E+01 volume
0.13649E+01 ppm1
4.276
ppm2
3.706

ASSI {18122}

((segid “PROT” and resid 37 and name HG2))

((segid “PROT” and resid 37 and name HB1))

1.900
0.900
0.900 peak
18122
weight
0.10000E+01 volume
0.24810E+02 ppm1
2.042
ppm2
2.389

ASSI {18142}

((segid “PROT” and resid 37 and name HD1))

((segid “PROT” and resid 37 and name HG2))

2.200
1.200
1.200 peak
18142
weight
0.10000E+01 volume
0.94260E+01 ppm1
3.715
ppm2
2.040

ASSI {18192}

((segid “PROT” and resid 44 and name HB1))

((segid “PROT” and resid 44 and name HD2))

3.000
2.200
2.200 peak
18192
weight
0.10000E+01 volume
0.14606E+01 ppm1
2.413
ppm2
3.573

ASSI {18202}

((segid “PROT” and resid 44 and name HB1))

((segid “PROT” and resid 44 and name HD1))

3.000
2.200
2.200 peak
18202
weight
0.10000E+01 volume
0.14741E+01 ppm1
2.413
ppm2
3.838

ASSI {18222}

((segid “PROT” and resid 44 and name HB2))

((segid “PROT” and resid 44 and name HB1))

1.900
0.900
0.900 peak
18222
weight
0.10000E+01 volume
0.21799E+02 ppm1
2.062
ppm2
2.415

ASSI {18262}

((segid “PROT” and resid 44 and name HA))

((segid “PROT” and resid 44 and name HD2))

3.200
2.600
2.300 peak
18262
weight
0.10000E+01 volume
0.98750E+00 ppm1
4.553
ppm2
3.564

ASSI {18272}

((segid “PROT” and resid 44 and name HG1))

((segid “PROT” and resid 44 and name HB2))

2.100
1.100
1.100 peak
18272
weight
0.10000E+01 volume
0.11240E+02 ppm1
2.207
ppm2
2.053

ASSI {18312}

(segid “PROT” and resid 49 and name HG1%)

((segid “PROT” and resid 49 and name HA))

2.300
1.300
1.300 peak
18312
weight
0.10000E+01 volume
0.68598E+01 ppm1
0.962
ppm2
4.110

ASSI {18332}

((segid “PROT” and resid 54 and name HB2))

((segid “PROT” and resid 54 and name HA))

3.000
2.200
2.200 peak
18332
weight
0.10000E+01 volume
0.14619E+01 ppm1
1.394
ppm2
4.986

ASSI {18352}

((segid “PROT” and resid 54 and name HG1))

((segid “PROT” and resid 54 and name HA))

3.200
2.600
2.300 peak
18352
weight
0.10000E+01 volume
0.89060E+00 ppm1
2.737
ppm2
4.985

ASSI {18362}

((segid “PROT” and resid 53 and name HA))

((segid “PROT” and resid 54 and name HA))

3.300
2.700
2.200 peak
18362
weight
0.10000E+01 volume
0.74720E+00 ppm1
4.121
ppm2
4.989

ASSI {18372}

((segid “PROT” and resid 28 and name HD2))

((segid “PROT” and resid 28 and name HB1))

3.400
2.900
2.100 peak
18372
weight
0.10000E+01 volume
0.70920E+00 ppm1
5.011
ppm2
3.024

ASSI {18382}

((segid “PROT” and resid 28 and name HD2))

((segid “PROT” and resid 28 and name HB2))

3.200
2.600
2.300 peak
18382
weight
0.10000E+01 volume
0.10243E+01 ppm1
5.011
ppm2
2.811

ASSI {18422}

((segid “PROT” and resid 58 and name HB))

(segid “PROT” and resid 54 and name HE%)

3.000
2.200
2.200 peak
18422
weight
0.10000E+01 volume
0.14720E+01 ppm1
4.119
ppm2
2.005

ASSI {18452}

((segid “PROT” and resid 54 and name HB1))

((segid “PROT” and resid 54 and name HA))

2.600
1.700
1.700 peak
18452
weight
0.10000E+01 volume
0.32741E+01 ppm1
2.049
ppm2
4.986

ASSI {18502}

((segid “PROT” and resid 59 and name HB1))

((segid “PROT” and resid 59 and name HA))

2.700
1.800
1.800 peak
18502
weight
0.10000E+01 volume
0.24749E+01 ppm1
2.151
ppm2
4.333

ASSI {18522}

((segid “PROT” and resid 59 and name HG2))

((segid “PROT” and resid 59 and name HA))

2.900
2.100
2.100 peak
18522
weight
0.10000E+01 volume
0.17299E+01 ppm1
2.558
ppm2
4.341

ASSI {18552}

((segid “PROT” and resid 59 and name HG1))

(segid “PROT” and resid 59 and name HE%)

2.500
1.600
1.600 peak
18552
weight
0.10000E+01 volume
0.43371E+01 ppm1
2.651
ppm2
1.309

ASSI {18562}

(segid “PROT” and resid 25 and name HG2%)

(segid “PROT” and resid 59 and name HE%)

2.600
1.700
1.700 peak
18562
weight
0.10000E+01 volume
0.30262E+01 ppm1
1.109
ppm2
1.316

ASSI {18572}

((segid “PROT” and resid 72 and name HA))

((segid “PROT” and resid 75 and name HB1))

3.100
2.400
2.400 peak
18572
weight
0.10000E+01 volume
0.11453E+01 ppm1
4.083
ppm2
2.967

ASSI {18582}

((segid “PROT” and resid 72 and name HA))

((segid “PROT” and resid 75 and name HB2))

3.000
2.200
2.200 peak
18582
weight
0.10000E+01 volume
0.15018E+01 ppm1
4.085
ppm2
2.640

ASSI {18592}

((segid “PROT” and resid 75 and name HA))

((segid “PROT” and resid 75 and name HG1))

2.600
1.700
1.700 peak
18592
weight
0.10000E+01 volume
0.33006E+01 ppm1
4.096
ppm2
2.362

ASSI {18602}

((segid “PROT” and resid 75 and name HA))

((segid “PROT” and resid 75 and name HG2))

2.300
1.300
1.300 peak
18602
weight
0.10000E+01 volume
0.65760E+01 ppm1
4.096
ppm2
2.244

ASSI {18612}

(segid “PROT” and resid 75 and name HE%)

((segid “PROT” and resid 75 and name HA))

2.000
1.000
1.000 peak
18612
weight
0.10000E+01 volume
0.14267E+02 ppm1
2.099
ppm2
4.091

ASSI {18622}

((segid “PROT” and resid 116 and name HA))

(segid “PROT” and resid 75 and name HE%)

3.200
2.600
2.300 peak
18622
weight
0.10000E+01 volume
0.10323E+01 ppm1
4.275
ppm2
2.094

ASSI {18642}

((segid “PROT” and resid 75 and name HG2))

((segid “PROT” and resid 75 and name HB1))

2.400
1.400
1.400 peak
18642
weight
0.10000E+01 volume
0.55414E+01 ppm1
2.240
ppm2
2.959

ASSI {18652}

((segid “PROT” and resid 75 and name HG2))

((segid “PROT” and resid 75 and name HB2))

2.600
1.700
1.700 peak
18652
weight
0.10000E+01 volume
0.34575E+01 ppm1
2.240
ppm2
2.640

ASSI {18662}

((segid “PROT” and resid 75 and name HG1))

((segid “PROT” and resid 75 and name HB2))

2.600
1.700
1.700 peak
18662
weight
0.10000E+01 volume
0.33311E+01 ppm1
2.358
ppm2
2.640

ASSI {18672}

((segid “PROT” and resid 75 and name HG1))

((segid “PROT” and resid 75 and name HB1))

2.600
1.700
1.700 peak
18672
weight
0.10000E+01 volume
0.33310E+01 ppm1
2.358
ppm2
2.959

ASSI {18692}

((segid “PROT” and resid 53 and name HD2))

((segid “PROT” and resid 53 and name HB1))

3.000
2.200
2.200 peak
18692
weight
0.10000E+01 volume
0.14740E+01 ppm1
3.443
ppm2
2.248

ASSI {18722}

((segid “PROT” and resid 35 and name HB1))

((segid “PROT” and resid 35 and name HG1))

2.400
1.400
1.400 peak
18722
weight
0.10000E+01 volume
0.47598E+01 ppm1
2.316
ppm2
2.903

ASSI {18732}

((segid “PROT” and resid 35 and name HB2))

((segid “PROT” and resid 35 and name HG1))

2.200
1.200
1.200 peak
18732
weight
0.10000E+01 volume
0.97482E+01 ppm1
2.223
ppm2
2.902

ASSI {18742}

((segid “PROT” and resid 35 and name HG1))

((segid “PROT” and resid 35 and name HA))

2.700
1.800
1.800 peak
18742
weight
0.10000E+01 volume
0.25097E+01 ppm1
2.900
ppm2
4.342

ASSI {18752}

((segid “PROT” and resid 35 and name HB1))

((segid “PROT” and resid 35 and name HA))

2.800
2.000
2.000 peak
18752
weight
0.10000E+01 volume
0.23049E+01 ppm1
2.320
ppm2
4.342

ASSI {18762}

((segid “PROT” and resid 35 and name HB2))

((segid “PROT” and resid 35 and name HA))

2.400
1.400
1.400 peak
18762
weight
0.10000E+01 volume
0.56264E+01 ppm1
2.228
ppm2
4.342

ASSI {18792}

((segid “PROT” and resid 111 and name HD1))

((segid “PROT” and resid 108 and name HA))

3.200
2.600
2.300 peak
18792
weight
0.10000E+01 volume
0.87530E+00 ppm1
1.657
ppm2
4.236

ASSI {18802}

((segid “PROT” and resid 95 and name HB2))

((segid “PROT” and resid 95 and name HA))

3.000
2.200
2.200 peak
18802
weight
0.10000E+01 volume
0.14977E+01 ppm1
2.643
ppm2
3.648

ASSI {18812}

((segid “PROT” and resid 33 and name HG1))

((segid “PROT” and resid 95 and name HA))

3.300
2.700
2.200 peak
18812
weight
0.10000E+01 volume
0.73410E+00 ppm1
0.269
ppm2
3.651

ASSI {18822}

((segid “PROT” and resid 33 and name HG2))

((segid “PROT” and resid 95 and name HA))

3.400
2.900
2.100 peak
18822
weight
0.10000E+01 volume
0.67160E+00 ppm1
−0.875
ppm2
3.643

ASSI {18832}

((segid “PROT” and resid 57 and name HD1))

((segid “PROT” and resid 57 and name HA))

2.600
1.700
1.700 peak
18832
weight
0.10000E+01 volume
0.37031E+01 ppm1
1.759
ppm2
3.910

ASSI {18842}

((segid “PROT” and resid 106 and name HB1))

((segid “PROT” and resid 103 and name HA))

2.600
1.700
1.700 peak
18842
weight
0.10000E+01 volume
0.29665E+01 ppm1
3.358
ppm2
3.217

ASSI {18912}

((segid “PROT” and resid 79 and name HB1))

((segid “PROT” and resid 76 and name HA))

2.700
1.800
1.800 peak
18912
weight
0.10000E+01 volume
0.26684E+01 ppm1
2.212
ppm2
4.115

ASSI {18932}

((segid “PROT” and resid 10 and name HB1))

((segid “PROT” and resid 11 and name HD1))

2.800
2.000
2.000 peak
18932
weight
0.10000E+01 volume
0.20083E+01 ppm1
2.788
ppm2
3.901

ASSI {18942}

((segid “PROT” and resid 89 and name HB1))

((segid “PROT” and resid 90 and name HD2))

3.100
2.400
2.400 peak
18942
weight
0.10000E+01 volume
0.12160E+01 ppm1
3.110
ppm2
3.947

ASSI {18952}

((segid “PROT” and resid 89 and name HB1))

((segid “PROT” and resid 90 and name HD1))

3.300
2.700
2.200 peak
18952
weight
0.10000E+01 volume
0.77340E+00 ppm1
3.120
ppm2
4.108

ASSI {18962}

((segid “PROT” and resid 89 and name HB2))

((segid “PROT” and resid 90 and name HD2))

3.200
2.600
2.300 peak
18962
weight
0.10000E+01 volume
0.10193E+01 ppm1
2.915
ppm2
3.947

ASSI {19002}

((segid “PROT” and resid 33 and name HB2))

((segid “PROT” and resid 33 and name HD2))

3.400
2.900
2.100 peak
19002
weight
0.10000E+01 volume
0.69650E+00 ppm1
−0.441
ppm2
1.567

ASSI {19022}

((segid “PROT” and resid 33 and name HG1))

((segid “PROT” and resid 33 and name HD1))

3.000
2.200
2.200 peak
19022
weight
0.10000E+01 volume
0.13980E+01 ppm1
0.280
ppm2
2.263

ASSI {19032}

((segid “PROT” and resid 33 and name HB2))

((segid “PROT” and resid 33 and name HD1))

3.400
2.900
2.100 peak
19032
weight
0.10000E+01 volume
0.62420E+00 ppm1
−0.431
ppm2
2.263

ASSI {19152}

((segid “PROT” and resid 37 and name HD1))

((segid “PROT” and resid 36 and name HB2))

2.600
1.700
1.700 peak
19152
weight
0.10000E+01 volume
0.34164E+01 ppm1
3.706
ppm2
1.800

ASSI {19202}

((segid “PROT” and resid 33 and name HG2))

((segid “PROT” and resid 33 and name HB2))

3.300
2.700
2.200 peak
19202
weight
0.10000E+01 volume
0.79620E+00 ppm1
−0.870
ppm2
−0.431

ASSI {19222}

((segid “PROT” and resid 33 and name HG1))

((segid “PROT” and resid 33 and name HB2))

3.300
2.700
2.200 peak
19222
weight
0.10000E+01 volume
0.76140E+00 ppm1
0.272
ppm2
−0.431

ASSI {19252}

((segid “PROT” and resid 57 and name HB2))

((segid “PROT” and resid 57 and name HD2))

2.900
2.100
2.100 peak
19252
weight
0.10000E+01 volume
0.18111E+01 ppm1
1.108
ppm2
0.913

ASSI {19322}

((segid “PROT” and resid 15 and name HA))

(segid “PROT” and resid 63 and name HD2%)

2.600
1.700
1.700 peak
19322
weight
0.10000E+01 volume
0.33620E+01 ppm1
4.057
ppm2
1.079

ASSI {19332}

((segid “PROT” and resid 68 and name HB1))

(segid “PROT” and resid 63 and name HD2%)

2.800
2.000
2.000 peak
19332
weight
0.10000E+01 volume
0.20548E+01 ppm1
3.103
ppm2
1.080

ASSI {19342}

((segid “PROT” and resid 33 and name HD1))

((segid “PROT” and resid 33 and name HG2))

3.000
2.200
2.200 peak
19342
weight
0.10000E+01 volume
0.12899E+01 ppm1
2.273
ppm2
−0.868

ASSI {19372}

((segid “PROT” and resid 34 and name HA))

(segid “PROT” and resid 81 and name HG2%)

2.800
2.000
2.000 peak
19372
weight
0.10000E+01 volume
0.22956E+01 ppm1
5.007
ppm2
0.153

ASSI {19382}

((segid “PROT” and resid 46 and name HA))

(segid “PROT” and resid 49 and name HG1%)

2.500
1.600
1.600 peak
19382
weight
0.10000E+01 volume
0.38294E+01 ppm1
3.506
ppm2
0.971

ASSI {19412}

((segid “PROT” and resid 42 and name HB2))

(segid “PROT” and resid 43 and name HB%)

3.000
2.200
2.200 peak
19412
weight
0.10000E+01 volume
0.14358E+01 ppm1
2.081
ppm2
0.973

ASSI {19422}

((segid “PROT” and resid 82 and name HB1))

(segid “PROT” and resid 99 and name HB%)

2.400
1.400
1.400 peak
19422
weight
0.10000E+01 volume
0.49197E+01 ppm1
3.136
ppm2
1.659

ASSI {19442}

((segid “PROT” and resid 109 and name HB2))

(segid “PROT” and resid 21 and name HG2%)

2.800
2.000
2.000 peak
19442
weight
0.10000E+01 volume
0.19394E+01 ppm1
1.585
ppm2
1.016

ASSI {19452}

(segid “PROT” and resid 102 and name HD2%)

(segid “PROT” and resid 21 and name HG2%)

2.500
2.500
2.000 peak
19452
weight
0.10000E+01 volume
0.38076E+01 ppm1
0.762
ppm2
1.024

ASSI {19492}

((segid “PROT” and resid 33 and name HA))

((segid “PROT” and resid 33 and name HG1))

3.400
2.900
2.100 peak
19492
weight
0.10000E+01 volume
0.66660E+00 ppm1
3.992
ppm2
0.280

ASSI {19532}

((segid “PROT” and resid 33 and name HB1))

((segid “PROT” and resid 33 and name HG1))

3.300
2.700
2.200 peak
19532
weight
0.10000E+01 volume
0.76740E+00 ppm1
1.075
ppm2
0.269

ASSI {19552}

((segid “PROT” and resid 53 and name HG2))

((segid “PROT” and resid 53 and name HD1))

2.500
1.600
1.600 peak
19552
weight
0.10000E+01 volume
0.38667E+01 ppm1
1.948
ppm2
3.649

ASSI {19582}

(segid “PROT” and resid 50 and name HG2%)

((segid “PROT” and resid 53 and name HG1))

3.200
2.600
2.300 peak
19582
weight
0.10000E+01 volume
0.89220E+00 ppm1
0.421
ppm2
2.280

ASSI {19602}

((segid “PROT” and resid 53 and name HA))

((segid “PROT” and resid 53 and name HG1))

2.500
1.600
1.600 peak
19602
weight
0.10000E+01 volume
0.43485E+01 ppm1
4.119
ppm2
2.264

ASSI {19612}

((segid “PROT” and resid 53 and name HA))

((segid “PROT” and resid 53 and name HD1))

3.200
2.600
2.300 peak
19612
weight
0.10000E+01 volume
0.92980E+00 ppm1
4.123
ppm2
3.649

ASSI {19622}

((segid “PROT” and resid 53 and name HA))

((segid “PROT” and resid 53 and name HD2))

3.200
2.600
2.300 peak
19622
weight
0.10000E+01 volume
0.91130E+00 ppm1
4.123
ppm2
3.446

ASSI {19652}

((segid “PROT” and resid 53 and name HG2))

((segid “PROT” and resid 53 and name HB1))

2.000
1.000
1.000 peak
19652
weight
0.10000E+01 volume
0.15739E+02 ppm1
1.936
ppm2
2.247

ASSI {19662}

((segid “PROT” and resid 53 and name HD1))

((segid “PROT” and resid 53 and name HB1))

2.900
2.100
2.100 peak
19662
weight
0.10000E+01 volume
0.16703E+01 ppm1
3.652
ppm2
2.249

ASSI {19692}

((segid “PROT” and resid 57 and name HE2))

((segid “PROT” and resid 57 and name HD1))

2.100
1.100
1.100 peak
19692
weight
0.10000E+01 volume
0.11051E+02 ppm1
2.082
ppm2
1.752

ASSI {19732}

((segid “PROT” and resid 21 and name HG11))

(segid “PROT” and resid 17 and name HG2%)

2.700
1.800
1.800 peak
19732
weight
0.10000E+01 volume
0.24805E+01 ppm1
1.783
ppm2
1.175

ASSI {19762}

((segid “PROT” and resid 17 and name HB))

(segid “PROT” and resid 17 and name HG2%)

2.000
1.000
1.000 peak
19762
weight
0.10000E+01 volume
0.16615E+02 ppm1
4.290
ppm2
1.178

ASSI {19772}

(segid “PROT” and resid 102 and name HD2%)

(segid “PROT” and resid 25 and name HG2%)

2.000
1.000
1.000 peak
19772
weight
0.10000E+01 volume
0.16186E+02 ppm1
0.763
ppm2
1.073

ASSI {19812}

(segid “PROT” and resid 31 and name HB%)

(segid “PROT” and resid 25 and name HG2%)

2.400
1.400
1.400 peak
19812
weight
0.10000E+01 volume
0.53511E+01 ppm1
1.761
ppm2
1.082

ASSI {19852}

((segid “PROT” and resid 57 and name HE2))

(segid “PROT” and resid 58 and name HG2%)

2.600
1.700
1.700 peak
19852
weight
0.10000E+01 volume
0.33672E+01 ppm1
2.081
ppm2
1.095

ASSI {19862}

(segid “PROT” and resid 54 and name HE%)

(segid “PROT” and resid 58 and name HG2%)

2.100
1.100
1.100 peak
19862
weight
0.10000E+01 volume
0.11606E+02 ppm1
2.004
ppm2
1.097

ASSI {19912}

((segid “PROT” and resid 57 and name HE1))

((segid “PROT” and resid 57 and name HB2))

3.400
2.900
2.100 peak
19912
weight
0.10000E+01 volume
0.69760E+00 ppm1
2.617
ppm2
1.141

ASSI {19922}

((segid “PROT” and resid 57 and name HD1))

((segid “PROT” and resid 57 and name HB2))

3.200
2.600
2.300 peak
19922
weight
0.10000E+01 volume
0.95330E+00 ppm1
1.757
ppm2
1.144

ASSI {19952}

((segid “PROT” and resid 96 and name HB1))

((segid “PROT” and resid 91 and name HA))

3.100
2.400
2.400 peak
19952
weight
0.10000E+01 volume
0.10916E+01 ppm1
3.416
ppm2
2.586

ASSI {19982}

((segid “PROT” and resid 91 and name HA))

((segid “PROT” and resid 91 and name HB1))

2.300
1.300
1.300 peak
19982
weight
0.10000E+01 volume
0.66821E+01 ppm1
2.590
ppm2
1.625

ASSI {19992}

((segid “PROT” and resid 91 and name HA))

((segid “PROT” and resid 91 and name HG1))

3.100
2.400
2.400 peak
19992
weight
0.10000E+01 volume
0.12229E+01 ppm1
2.589
ppm2
1.994

ASSI {20022}

((segid “PROT” and resid 8 and name HB2))

((segid “PROT” and resid 8 and name HD1))

3.000
2.200
2.200 peak
20022
weight
0.10000E+01 volume
0.14969E+01 ppm1
1.927
ppm2
3.869

ASSI {20052}

((segid “PROT” and resid 90 and name HA))

((segid “PROT” and resid 90 and name HB2))

3.100
2.400
2.400 peak
20052
weight
0.10000E+01 volume
0.11109E+01 ppm1
4.645
ppm2
2.168

ASSI {20062}

((segid “PROT” and resid 90 and name HA))

((segid “PROT” and resid 90 and name HB1))

3.000
2.200
2.200 peak
20062
weight
0.10000E+01 volume
0.14418E+01 ppm1
4.643
ppm2
2.353

ASSI {20082}

((segid “PROT” and resid 90 and name HD2))

((segid “PROT” and resid 90 and name HB1))

3.200
2.600
2.300 peak
20082
weight
0.10000E+01 volume
0.91280E+00 ppm1
3.930
ppm2
2.351

ASSI {20182}

((segid “PROT” and resid 30 and name HB2))

(segid “PROT” and resid 102 and name HD1%)

2.800
2.000
2.000 peak
20182
weight
0.10000E+01 volume
0.21637E+01 ppm1
3.970
ppm2
0.761

ASSI {20252}

((segid “PROT” and resid 28 and name HD2))

((segid “PROT” and resid 28 and name HA))

3.100
2.400
2.400 peak
20252
weight
0.10000E+01 volume
0.11231E+01 ppm1
5.008
ppm2
4.019

ASSI {20282}

((segid “PROT” and resid 32 and name HE3))

((segid “PROT” and resid 32 and name HB2))

3.000
2.200
2.200 peak
20282
weight
0.10000E+01 volume
0.13378E+01 ppm1
7.355
ppm2
3.414

ASSI {20292}

((segid “PROT” and resid 32 and name HE3))

((segid “PROT” and resid 32 and name HB1))

3.000
2.200
2.200 peak
20292
weight
0.10000E+01 volume
0.13945E+01 ppm1
7.357
ppm2
3.634

ASSI {20302}

((segid “PROT” and resid 32 and name HD1))

((segid “PROT” and resid 32 and name HB1))

3.300
2.700
2.200 peak
20302
weight
0.10000E+01 volume
0.86510E+00 ppm1
7.888
ppm2
3.645

ASSI {20312}

((segid “PROT” and resid 32 and name HD1))

((segid “PROT” and resid 32 and name HB2))

3.000
2.200
2.200 peak
20312
weight
0.10000E+01 volume
0.13496E+01 ppm1
7.887
ppm2
3.406

ASSI {20322}

((segid “PROT” and resid 32 and name HD1))

((segid “PROT” and resid 30 and name HA))

3.300
2.700
2.200 peak
20322
weight
0.10000E+01 volume
0.84000E+00 ppm1
7.887
ppm2
4.846

ASSI {20332}

((segid “PROT” and resid 75 and name HA))

((segid “PROT” and resid 74 and name HB1))

2.800
2.000
2.000 peak
20332
weight
0.10000E+01 volume
0.19988E+01 ppm1
4.058
ppm2
3.004

ASSI {20342}

(segid “PROT” and resid 82 and name HE%)

((segid “PROT” and resid 82 and name HB1))

3.500
3.100
2.000 peak
20342
weight
0.10000E+01 volume
0.58330E+00 ppm1
6.488
ppm2
3.143

ASSI {20382}

(segid “PROT” and resid 105 and name HD%)

((segid “PROT” and resid 105 and name HB1))

2.600
1.700
1.700 peak
20382
weight
0.10000E+01 volume
0.35159E+01 ppm1
7.235
ppm2
3.138

ASSI {20412}

(segid “PROT” and resid 107 and name HD%)

((segid “PROT” and resid 107 and name HB1))

2.500
1.600
1.600 peak
20412
weight
0.10000E+01 volume
0.39879E+01 ppm1
7.241
ppm2
3.090

ASSI {20432}

(segid “PROT” and resid 96 and name HD%)

((segid “PROT” and resid 96 and name HA))

3.200
2.600
2.300 peak
20432
weight
0.10000E+01 volume
0.10372E+01 ppm1
7.151
ppm2
3.826

ASSI {20462}

(segid “PROT” and resid 47 and name HD%)

((segid “PROT” and resid 47 and name HB1))

2.900
2.100
2.100 peak
20462
weight
0.10000E+01 volume
0.18851E+01 ppm1
7.401
ppm2
3.245

ASSI {20472}

(segid “PROT” and resid 47 and name HD%)

((segid “PROT” and resid 47 and name HB2))

3.000
2.200
2.200 peak
20472
weight
0.10000E+01 volume
0.13814E+01 ppm1
7.409
ppm2
2.843

ASSI {20482}

(segid “PROT” and resid 47 and name HE%)

((segid “PROT” and resid 47 and name HB1))

3.400
2.900
2.100 peak
20482
weight
0.10000E+01 volume
0.68190E+00 ppm1
6.688
ppm2
3.236

ASSI {20492}

(segid “PROT” and resid 47 and name HE%)

((segid “PROT” and resid 47 and name HB2))

3.500
3.100
2.000 peak
20492
weight
0.10000E+01 volume
0.54300E+00 ppm1
6.675
ppm2
2.861

ASSI {20502}

(segid “PROT” and resid 47 and name HE%)

((segid “PROT” and resid 47 and name HA))

3.300
2.700
2.200 peak
20502
weight
0.10000E+01 volume
0.81170E+00 ppm1
6.675
ppm2
4.131

ASSI {20512}

(segid “PROT” and resid 15 and name HE%)

((segid “PROT” and resid 15 and name HA))

3.400
2.900
2.100 peak
20512
weight
0.10000E+01 volume
0.67340E+00 ppm1
6.926
ppm2
4.050

ASSI {20522}

(segid “PROT” and resid 67 and name HE%)

((segid “PROT” and resid 67 and name HA))

3.300
2.700
2.200 peak
20522
weight
0.10000E+01 volume
0.82160E+00 ppm1
6.735
ppm2
4.108

ASSI {20532}

(segid “PROT” and resid 67 and name HE%)

((segid “PROT” and resid 67 and name HB2))

3.700
3.400
1.800 peak
20532
weight
0.10000E+01 volume
0.39270E+00 ppm1
6.737
ppm2
2.093

ASSI {20542}

(segid “PROT” and resid 67 and name HE%)

((segid “PROT” and resid 67 and name HB1))

3.400
2.900
2.100 peak
20542
weight
0.10000E+01 volume
0.68200E+00 ppm1
6.737
ppm2
3.003

ASSI {20552}

(segid “PROT” and resid 68 and name HE%)

((segid “PROT” and resid 68 and name HA))

3.200
2.600
2.300 peak
20552
weight
0.10000E+01 volume
0.96420E+00 ppm1
7.310
ppm2
4.583

ASSI {20582}

((segid “PROT” and resid 67 and name HA))

((segid “PROT” and resid 68 and name HA))

3.000
2.200
2.200 peak
20582
weight
0.10000E+01 volume
0.13549E+01 ppm1
4.106
ppm2
4.583

ASSI {20602}

(segid “PROT” and resid 68 and name HD%)

((segid “PROT” and resid 68 and name HB2))

3.000
2.200
2.200 peak
20602
weight
0.10000E+01 volume
0.14100E+01 ppm1
7.209
ppm2
2.960

ASSI {20612}

(segid “PROT” and resid 68 and name HD%)

((segid “PROT” and resid 68 and name HB1))

2.900
2.100
2.100 peak
20612
weight
0.10000E+01 volume
0.15572E+01 ppm1
7.209
ppm2
3.104

ASSI {20622}

(segid “PROT” and resid 68 and name HE%)

((segid “PROT” and resid 68 and name HB2))

3.200
2.600
2.300 peak
20622
weight
0.10000E+01 volume
0.95790E+00 ppm1
7.315
ppm2
2.958

ASSI {20632}

(segid “PROT” and resid 68 and name HE%)

((segid “PROT” and resid 68 and name HB1))

3.300
2.700
2.200 peak
20632
weight
0.10000E+01 volume
0.77790E+00 ppm1
7.316
ppm2
3.095

ASSI {20642}

(segid “PROT” and resid 88 and name HE%)

((segid “PROT” and resid 88 and name HA))

3.300
2.700
2.200 peak
20642
weight
0.10000E+01 volume
0.74810E+00 ppm1
6.652
ppm2
4.331

ASSI {20652}

(segid “PROT” and resid 50 and name HD1%)

((segid “PROT” and resid 88 and name HA))

3.300
2.700
2.200 peak
20652
weight
0.10000E+01 volume
0.73730E+00 ppm1
0.582
ppm2
4.313

ASSI {20732}

(segid “PROT” and resid 96 and name HD%)

((segid “PROT” and resid 96 and name HB1))

3.000
2.200
2.200 peak
20732
weight
0.10000E+01 volume
0.12722E+01 ppm1
7.122
ppm2
3.421

ASSI {20742}

(segid “PROT” and resid 96 and name HE%)

((segid “PROT” and resid 96 and name HB2))

3.200
2.600
2.300 peak
20742
weight
0.10000E+01 volume
0.10176E+01 ppm1
7.054
ppm2
2.580

ASSI {20752}

(segid “PROT” and resid 96 and name HE%)

((segid “PROT” and resid 96 and name HB1))

3.200
2.600
2.300 peak
20752
weight
0.10000E+01 volume
0.98070E+00 ppm1
7.054
ppm2
3.429

ASSI {20762}

(segid “PROT” and resid 96 and name HE%)

((segid “PROT” and resid 96 and name HA))

3.200
2.600
2.300 peak
20762
weight
0.10000E+01 volume
0.10206E+01 ppm1
7.054
ppm2
3.823

ASSI {20792}

(segid “PROT” and resid 99 and name HB%)

(segid “PROT” and resid 81 and name HG2%)

3.100
2.400
2.400 peak
20792
weight
0.10000E+01 volume
0.12313E+01 ppm1
1.655
ppm2
0.157

ASSI {20812}

((segid “PROT” and resid 44 and name HG2))

((segid “PROT” and resid 43 and name HA))

3.300
2.700
2.200 peak
20812
weight
0.10000E+01 volume
0.81200E+00 ppm1
2.075
ppm2
4.987

ASSI {20822}

(segid “PROT” and resid 46 and name HE%)

(segid “PROT” and resid 43 and name HB%)

3.100
2.400
2.400 peak
20822
weight
0.10000E+01 volume
0.11247E+01 ppm1
5.998
ppm2
0.978

ASSI {20832}

((segid “PROT” and resid 39 and name HE2))

(segid “PROT” and resid 43 and name HB%)

3.100
2.400
2.400 peak
20832
weight
0.10000E+01 volume
0.12227E+01 ppm1
2.950
ppm2
0.972

ASSI {20842}

((segid “PROT” and resid 61 and name HB2))

((segid “PROT” and resid 58 and name HA))

3.100
2.400
2.400 peak
20842
weight
0.10000E+01 volume
0.12246E+01 ppm1
2.120
ppm2
3.883

ASSI {20862}

((segid “PROT” and resid 70 and name HB1))

(segid “PROT” and resid 69 and name HG2%)

2.800
2.000
2.000 peak
20862
weight
0.10000E+01 volume
0.20271E+01 ppm1
4.227
ppm2
0.859

ASSI {20872}

((segid “PROT” and resid 110 and name HG12))

((segid “PROT” and resid 107 and name HA))

2.600
1.700
1.700 peak
20872
weight
0.10000E+01 volume
0.36962E+01 ppm1
1.090
ppm2
3.857

ASSI {20992}

((segid “PROT” and resid 79 and name HB2))

(segid “PROT” and resid 83 and name HG2%)

3.200
2.600
2.300 peak
20992
weight
0.10000E+01 volume
0.96340E+00 ppm1
2.102
ppm2
1.343

ASSI {21032}

((segid “PROT” and resid 68 and name HB2))

(segid “PROT” and resid 63 and name HD2%)

3.100
2.400
2.400 peak
21032
weight
0.10000E+01 volume
0.12579E+01 ppm1
2.956
ppm2
1.082

ASSI {21062}

((segid “PROT” and resid 116 and name HA))

(segid “PROT” and resid 110 and name HD1%)

3.300
2.700
2.200 peak
21062
weight
0.10000E+01 volume
0.75760E+00 ppm1
4.275
ppm2
0.571

ASSI {21102}

((segid “PROT” and resid 75 and name HG1))

(segid “PROT” and resid 116 and name HD1%)

3.100
2.400
2.400 peak
21102
weight
0.10000E+01 volume
0.12677E+01 ppm1
2.317
ppm2
0.825

ASSI {21172}

((segid “PROT” and resid 97 and name HG2))

(segid “PROT” and resid 101 and name HD1%)

3.100
2.400
2.400 peak
21172
weight
0.10000E+01 volume
0.11617E+01 ppm1
1.617
ppm2
0.997

ASSI {21222}

((segid “PROT” and resid 30 and name HB2))

(segid “PROT” and resid 101 and name HD1%)

3.300
2.700
2.200 peak
21222
weight
0.10000E+01 volume
0.83430E+00 ppm1
3.976
ppm2
0.993

ASSI {21242}

((segid “PROT” and resid 59 and name HG1))

(segid “PROT” and resid 54 and name HE%)

2.800
2.000
2.000 peak
21242
weight
0.10000E+01 volume
0.19137E+01 ppm1
2.624
ppm2
2.002

ASSI {21312}

((segid “PROT” and resid 56 and name HA))

(segid “PROT” and resid 59 and name HE%)

3.300
2.700
2.200 peak
21312
weight
0.10000E+01 volume
0.81010E+00 ppm1
4.056
ppm2
1.308

ASSI {21382}

((segid “PROT” and resid 116 and name HG12))

(segid “PROT” and resid 75 and name HE%)

3.600
3.200
1.900 peak
21382
weight
0.10000E+01 volume
0.47290E+00 ppm1
0.970
ppm2
2.096

ASSI {21432}

(segid “PROT” and resid 25 and name HG1%)

(segid “PROT” and resid 21 and name HG2%)

2.100
1.100
1.100 peak
21432
weight
0.10000E+01 volume
0.11034E+02 ppm1
1.244
ppm2
1.023

ASSI {21442}

((segid “PROT” and resid 25 and name HB))

(segid “PROT” and resid 21 and name HG2%)

3.200
2.600
2.300 peak
21442
weight
0.10000E+01 volume
0.97890E+00 ppm1
2.446
ppm2
1.018

ASSI {21512}

((segid “PROT” and resid 116 and name HG12))

(segid “PROT” and resid 116 and name HG2%)

2.300
1.300
1.300 peak
21512
weight
0.10000E+01 volume
0.68119E+01 ppm1
0.986
ppm2
0.854

ASSI {21552}

((segid “PROT” and resid 105 and name HB1))

(segid “PROT” and resid 101 and name HG2%)

3.100
2.400
2.400 peak
21552
weight
0.10000E+01 volume
0.10529E+01 ppm1
3.188
ppm2
1.032

ASSI {21632}

(segid “PROT” and resid 73 and name HD2%)

(segid “PROT” and resid 76 and name HB%)

2.700
1.800
1.800 peak
21632
weight
0.10000E+01 volume
0.27029E+01 ppm1
0.929
ppm2
1.533

ASSI {21662}

((segid “PROT” and resid 79 and name HB1))

(segid “PROT” and resid 76 and name HB%)

3.100
2.400
2.400 peak
21662
weight
0.10000E+01 volume
0.11536E+01 ppm1
2.220
ppm2
1.530

ASSI {21672}

((segid “PROT” and resid 79 and name HB2))

(segid “PROT” and resid 76 and name HB%)

3.300
2.700
2.200 peak
21672
weight
0.10000E+01 volume
0.84220E+00 ppm1
2.111
ppm2
1.529

ASSI {21682}

((segid “PROT” and resid 80 and name HB2))

(segid “PROT” and resid 76 and name HB%)

3.100
2.400
2.400 peak
21682
weight
0.10000E+01 volume
0.12504E+01 ppm1
1.938
ppm2
1.531

ASSI {21692}

((segid “PROT” and resid 80 and name HB1))

(segid “PROT” and resid 76 and name HB%)

3.100
2.400
2.400 peak
21692
weight
0.10000E+01 volume
0.10520E+01 ppm1
2.003
ppm2
1.531

ASSI {21732}

((segid “PROT” and resid 100 and name HA))

(segid “PROT” and resid 99 and name HB%)

3.000
2.200
2.200 peak
21732
weight
0.10000E+01 volume
0.12872E+01 ppm1
4.363
ppm2
1.659

ASSI {21752}

(segid “PROT” and resid 82 and name HE%)

(segid “PROT” and resid 99 and name HB%)

3.200
2.600
2.300 peak
21752
weight
0.10000E+01 volume
0.93520E+00 ppm1
6.489
ppm2
1.660

ASSI {21762}

(segid “PROT” and resid 34 and name HE%)

(segid “PROT” and resid 99 and name HB%)

3.200
2.600
2.300 peak
21762
weight
0.10000E+01 volume
0.10406E+01 ppm1
7.173
ppm2
1.663

ASSI {21772}

(segid “PROT” and resid 68 and name HE%)

(segid “PROT” and resid 76 and name HB%)

3.200
2.600
2.300 peak
21772
weight
0.10000E+01 volume
0.88080E+00 ppm1
7.319
ppm2
1.535

ASSI {21922}

((segid “PROT” and resid 14 and name HA))

(segid “PROT” and resid 113 and name HB%)

3.200
2.600
2.300 peak
21922
weight
0.10000E+01 volume
0.10349E+01 ppm1
4.100
ppm2
1.406

ASSI {21952}

((segid “PROT” and resid 33 and name HG1))

(segid “PROT” and resid 31 and name HB%)

3.500
3.100
2.000 peak
21952
weight
0.10000E+01 volume
0.53810E+00 ppm1
0.265
ppm2
1.760

ASSI {21962}

(segid “PROT” and resid 56 and name HD2%)

(segid “PROT” and resid 31 and name HB%)

3.300
2.700
2.200 peak
21962
weight
0.10000E+01 volume
0.75920E+00 ppm1
0.678
ppm2
1.762

ASSI {21972}

((segid “PROT” and resid 34 and name HN))

(segid “PROT” and resid 31 and name HB%)

3.700
3.400
1.800 peak
21972
weight
0.10000E+01 volume
0.42810E+00 ppm1
7.588
ppm2
1.760

ASSI {21992}

((segid “PROT” and resid 42 and name HB1))

(segid “PROT” and resid 43 and name HB%)

3.200
2.600
2.300 peak
21992
weight
0.10000E+01 volume
0.89240E+00 ppm1
2.221
ppm2
0.984

ASSI {22022}

((segid “PROT” and resid 87 and name HG2))

(segid “PROT” and resid 49 and name HG2%)

3.100
2.400
2.400 peak
22022
weight
0.10000E+01 volume
0.10861E+01 ppm1
2.245
ppm2
0.910

ASSI {22032}

((segid “PROT” and resid 39 and name HA))

(segid “PROT” and resid 38 and name HG2%)

3.600
3.200
1.900 peak
22032
weight
0.10000E+01 volume
0.44230E+00 ppm1
4.441
ppm2
−0.010

ASSI {22052}

(segid “PROT” and resid 18 and name HD1%)

(segid “PROT” and resid 69 and name HG1%)

3.500
3.100
2.000 peak
22052
weight
0.10000E+01 volume
0.55350E+00 ppm1
0.503
ppm2
0.989

ASSI {22062}

((segid “PROT” and resid 68 and name HA))

(segid “PROT” and resid 69 and name HG1%)

3.400
2.900
2.100 peak
22062
weight
0.10000E+01 volume
0.63530E+00 ppm1
4.580
ppm2
0.991

ASSI {22072}

((segid “PROT” and resid 33 and name HB1))

(segid “PROT” and resid 81 and name HG2%)

3.500
3.100
2.000 peak
22072
weight
0.10000E+01 volume
0.57540E+00 ppm1
1.066
ppm2
0.155

ASSI {22092}

((segid “PROT” and resid 77 and name HA))

(segid “PROT” and resid 81 and name HG1%)

3.600
3.200
1.900 peak
22092
weight
0.10000E+01 volume
0.47080E+00 ppm1
4.407
ppm2
0.510

ASSI {22152}

((segid “PROT” and resid 106 and name HB2))

(segid “PROT” and resid 25 and name HG2%)

3.300
2.700
2.200 peak
22152
weight
0.10000E+01 volume
0.76240E+00 ppm1
3.135
ppm2
1.076

ASSI {22192}

((segid “PROT” and resid 42 and name HA))

(segid “PROT” and resid 41 and name HG2%)

3.200
2.600
2.300 peak
22192
weight
0.10000E+01 volume
0.91170E+00 ppm1
4.500
ppm2
1.320

ASSI {22312}

((segid “PROT” and resid 56 and name HB2))

(segid “PROT” and resid 22 and name HD2%)

3.000
2.200
2.200 peak
22312
weight
0.10000E+01 volume
0.13684E+01 ppm1
1.428
ppm2
1.049

ASSI {22342}

((segid “PROT” and resid 60 and name HA))

(segid “PROT” and resid 22 and name HD2%)

3.500
3.100
2.000 peak
22342
weight
0.10000E+01 volume
0.54580E+00 ppm1
4.434
ppm2
1.047

ASSI {22362}

(segid “PROT” and resid 31 and name HB%)

(segid “PROT” and resid 102 and name HD2%)

2.300
1.300
1.300 peak
22362
weight
0.10000E+01 volume
0.61478E+01 ppm1
1.763
ppm2
0.768

ASSI {22422}

((segid “PROT” and resid 106 and name HB2))

(segid “PROT” and resid 78 and name HD2%)

3.300
2.700
2.200 peak
22422
weight
0.10000E+01 volume
0.75770E+00 ppm1
3.129
ppm2
0.196

ASSI {22432}

((segid “PROT” and resid 103 and name HA))

(segid “PROT” and resid 102 and name HD2%)

2.700
1.800
1.800 peak
22432
weight
0.10000E+01 volume
0.25754E+01 ppm1
3.195
ppm2
0.766

ASSI {22482}

(segid “PROT” and resid 82 and name HE%)

(segid “PROT” and resid 102 and name HD2%)

2.800
2.000
2.000 peak
22482
weight
0.10000E+01 volume
0.19487E+01 ppm1
6.468
ppm2
0.763

ASSI {22552}

(segid “PROT” and resid 56 and name HD1%)

(segid “PROT” and resid 102 and name HD1%)

2.500
1.600
1.600 peak
22552
weight
0.10000E+01 volume
0.45008E+01 ppm1
0.986
ppm2
0.760

ASSI {22582}

((segid “PROT” and resid 34 and name HB2))

(segid “PROT” and resid 102 and name HD1%)

3.400
2.900
2.100 peak
22582
weight
0.10000E+01 volume
0.62740E+00 ppm1
2.649
ppm2
0.760

ASSI {22612}

((segid “PROT” and resid 101 and name HA))

((segid “PROT” and resid 104 and name HG1))

2.900
2.100
2.100 peak
22612
weight
0.10000E+01 volume
0.16583E+01 ppm1
3.706
ppm2
1.550

ASSI {22652}

(segid “PROT” and resid 63 and name HD1%)

((segid “PROT” and resid 66 and name HB2))

3.600
3.200
1.900 peak
22652
weight
0.10000E+01 volume
0.45770E+00 ppm1
0.917
ppm2
2.048

ASSI {22712}

((segid “PROT” and resid 74 and name HA))

(segid “PROT” and resid 18 and name HD1%)

3.200
2.600
2.300 peak
22712
weight
0.10000E+01 volume
0.97160E+00 ppm1
3.804
ppm2
0.514

ASSI {22722}

((segid “PROT” and resid 68 and name HA))

(segid “PROT” and resid 18 and name HD1%)

3.400
2.900
2.100 peak
22722
weight
0.10000E+01 volume
0.62210E+00 ppm1
4.578
ppm2
0.514

ASSI {22752}

((segid “PROT” and resid 33 and name HB1))

((segid “PROT” and resid 33 and name HG2))

3.500
3.100
2.000 peak
22752
weight
0.10000E+01 volume
0.57510E+00 ppm1
1.036
ppm2
−0.870

ASSI {22772}

((segid “PROT” and resid 98 and name HB1))

((segid “PROT” and resid 33 and name HG1))

3.300
2.700
2.200 peak
22772
weight
0.10000E+01 volume
0.77490E+00 ppm1
3.392
ppm2
0.271

ASSI {22792}

((segid “PROT” and resid 34 and name HZ))

((segid “PROT” and resid 33 and name HG1))

3.200
2.600
2.300 peak
22792
weight
0.10000E+01 volume
0.90520E+00 ppm1
7.250
ppm2
0.266

ASSI {22802}

((segid “PROT” and resid 70 and name HA))

(segid “PROT” and resid 14 and name HD1%)

2.600
1.700
1.700 peak
22802
weight
0.10000E+01 volume
0.33402E+01 ppm1
4.795
ppm2
0.855

ASSI {22842}

(segid “PROT” and resid 59 and name HE%)

(segid “PROT” and resid 78 and name HD1%)

2.500
1.600
1.600 peak
22842
weight
0.10000E+01 volume
0.45695E+01 ppm1
1.310
ppm2
0.094

ASSI {22932}

((segid “PROT” and resid 60 and name HA))

(segid “PROT” and resid 22 and name HD1%)

3.000
2.200
2.200 peak
22932
weight
0.10000E+01 volume
0.14457E+01 ppm1
4.433
ppm2
1.106

ASSI {23032}

((segid “PROT” and resid 35 and name HG1))

(segid “PROT” and resid 56 and name HD1%)

3.200
2.600
2.300 peak
23032
weight
0.10000E+01 volume
0.96100E+00 ppm1
2.893
ppm2
0.977

ASSI {23122}

((segid “PROT” and resid 78 and name HN))

((segid “PROT” and resid 78 and name HG))

3.600
3.200
1.900 peak
23122
weight
0.10000E+01 volume
0.50520E+00 ppm1
7.384
ppm2
0.692

ASSI {23152}

((segid “PROT” and resid 44 and name HG1))

((segid “PROT” and resid 44 and name HG2))

1.800
0.800
0.800 peak
23152
weight
0.10000E+01 volume
0.30462E+02 ppm1
2.203
ppm2
2.079

ASSI {23202}

((segid “PROT” and resid 52 and name HA))

((segid “PROT” and resid 53 and name HG2))

3.400
2.900
2.100 peak
23202
weight
0.10000E+01 volume
0.70630E+00 ppm1
5.047
ppm2
1.939

ASSI {23252}

((segid “PROT” and resid 35 and name HN))

((segid “PROT” and resid 32 and name HB2))

3.500
3.100
2.000 peak
23252
weight
0.10000E+01 volume
0.53670E+00 ppm1
7.151
ppm2
3.408

ASSI {23312}

((segid “PROT” and resid 21 and name HA))

((segid “PROT” and resid 24 and name HB1))

3.000
2.200
2.200 peak
23312
weight
0.10000E+01 volume
0.14681E+01 ppm1
3.796
ppm2
2.501

ASSI {23362}

((segid “PROT” and resid 9 and name HD1))

((segid “PROT” and resid 7 and name HB2))

2.700
1.800
1.800 peak
23362
weight
0.10000E+01 volume
0.26162E+01 ppm1
3.211
ppm2
1.943

ASSI {23422}

((segid “PROT” and resid 52 and name HA))

((segid “PROT” and resid 51 and name HB2))

3.500
3.100
2.000 peak
23422
weight
0.10000E+01 volume
0.55120E+00 ppm1
5.036
ppm2
1.214

ASSI {23442}

(segid “PROT” and resid 82 and name HD%)

((segid “PROT” and resid 81 and name HB))

3.400
2.900
2.100 peak
23442
weight
0.10000E+01 volume
0.63500E+00 ppm1
6.702
ppm2
1.465

ASSI {23452}

((segid “PROT” and resid 54 and name HB2))

((segid “PROT” and resid 54 and name HG2))

2.800
2.000
2.000 peak
23452
weight
0.10000E+01 volume
0.23115E+01 ppm1
1.379
ppm2
1.886

ASSI {23682}

((segid “PROT” and resid 10 and name HA))

((segid “PROT” and resid 11 and name HB1))

3.300
2.700
2.200 peak
23682
weight
0.10000E+01 volume
0.74660E+00 ppm1
4.909
ppm2
2.381

ASSI {23692}

((segid “PROT” and resid 34 and name HA))

((segid “PROT” and resid 35 and name HB2))

3.400
2.900
2.100 peak
23692
weight
0.10000E+01 volume
0.63830E+00 ppm1
5.015
ppm2
2.239

ASSI {23742}

(segid “PROT” and resid 110 and name HG2%)

((segid “PROT” and resid 75 and name HB2))

3.300
2.700
2.200 peak
23742
weight
0.10000E+01 volume
0.81390E+00 ppm1
0.689
ppm2
2.656

ASSI {23802}

(segid “PROT” and resid 74 and name HD%)

((segid “PROT” and resid 75 and name HB1))

3.300
2.700
2.200 peak
22802
weight
0.10000E+01 volume
0.82510E+00 ppm1
6.425
ppm2
2.966

ASSI {23822}

((segid “PROT” and resid 29 and name HE21))

((segid “PROT” and resid 29 and name HG2))

3.300
2.700
2.200 peak
23822
weight
0.10000E+01 volume
0.78340E+00 ppm1
7.587
ppm2
2.428

ASSI {23832}

((segid “PROT” and resid 29 and name HE21))

((segid “PROT” and resid 29 and name HG1))

3.400
2.900
2.100 peak
23832
weight
0.10000E+01 volume
0.64100E+00 ppm1
7.588
ppm2
2.492

ASSI {23842}

((segid “PROT” and resid 50 and name HA))

((segid “PROT” and resid 49 and name HB))

2.800
2.000
2.000 peak
23842
weight
0.10000E+01 volume
0.19918E+01 ppm1
3.934
ppm2
1.925

ASSI {23862}

((segid “PROT” and resid 88 and name HB1))

((segid “PROT” and resid 49 and name HB))

3.300
2.700
2.200 peak
23862
weight
0.10000E+01 volume
0.73730E+00 ppm1
2.966
ppm2
1.926

ASSI {23882}

((segid “PROT” and resid 87 and name HG2))

((segid “PROT” and resid 49 and name HB))

2.800
2.000
2.000 peak
23882
weight
0.10000E+01 volume
0.22351E+01 ppm1
2.214
ppm2
1.924

ASSI {23892}

((segid “PROT” and resid 50 and name HG11))

((segid “PROT” and resid 49 and name HB))

3.500
3.100
2.000 peak
23892
weight
0.10000E+01 volume
0.55230E+00 ppm1
0.800
ppm2
1.928

ASSI {23932}

((segid “PROT” and resid 19 and name HG1))

((segid “PROT” and resid 23 and name HG2))

3.500
3.100
2.000 peak
23932
weight
0.10000E+01 volume
0.58220E+00 ppm1
1.292
ppm2
2.484

ASSI {24002}

((segid “PROT” and resid 111 and name HG2))

((segid “PROT” and resid 112 and name HG2))

3.400
2.900
2.100 peak
24002
weight
0.10000E+01 volume
0.70990E+00 ppm1
1.339
ppm2
2.254

ASSI {24032}

(segid “PROT” and resid 116 and name HD1%)

((segid “PROT” and resid 110 and name HB))

3.200
2.600
2.300 peak
24032
weight
0.10000E+01 volume
0.89320E+00 ppm1
0.840
ppm2
1.796

ASSI {24052}

((segid “PROT” and resid 92 and name HB1))

((segid “PROT” and resid 92 and name HG2 ))

2.000
1.000
1.000 peak
24052
weight
0.10000E+01 volume
0.15248E+02 ppm1
2.094
ppm2
2.263

ASSI {24062}

((segid “PROT” and resid 92 and name HB1))

((segid “PROT” and resid 92 and name HG1))

2.000
1.000
1.000 peak
24062
weight
0.10000E+01 volume
0.14295E+02 ppm1
2.105
ppm2
2.387

ASSI {24132}

((segid “PROT” and resid 110 and name HG11))

((segid “PROT” and resid 107 and name HB1))

3.500
3.100
2.000 peak
24132
weight
0.10000E+01 volume
0.52990E+00 ppm1
1.150
ppm2
3.098

ASSI {24152}

((segid “PROT” and resid 103 and name HB2))

((segid “PROT” and resid 82 and name HB1))

3.300
2.700
2.200 peak
24152
weight
0.10000E+01 volume
0.85610E+00 ppm1
1.337
ppm2
3.134

ASSI {24172}

(segid “PROT” and resid 78 and name HD1%)

((segid “PROT” and resid 106 and name HB1))

3.600
3.200
1.900 peak
24172
weight
0.10000E+01 volume
0.48250E+00 ppm1
0.088
ppm2
3.343

ASSI {24202}

((segid “PROT” and resid 30 and name HB2))

((segid “PROT” and resid 101 and name HB))

3.400
2.900
2.100 peak
24202
weight
0.10000E+01 volume
0.68200E+00 ppm1
3.981
ppm2
1.942

ASSI {24212}

(segid “PROT” and resid 56 and name HD2%)

((segid “PROT” and resid 34 and name HB2))

3.400
2.900
2.100 peak
24212
weight
0.10000E+01 volume
0.65310E+00 ppm1
0.682
ppm2
2.633

ASSI {24252}

(segid “PROT” and resid 63 and name HD1%)

((segid “PROT” and resid 18 and name HB2))

3.500
3.100
2.000 peak
24252
weight
0.10000E+01 volume
0.55670E+00 ppm1
0.912
ppm2
0.346

ASSI {24272}

(segid “PROT” and resid 14 and name HD2%)

((segid “PROT” and resid 18 and name HB1))

3.300
2.700
2.200 peak
24272
weight
0.10000E+01 volume
0.73750E+00 ppm1
0.844
ppm2
1.556

ASSI {24342}

(segid “PROT” and resid 18 and name HD1%)

((segid “PROT” and resid 14 and name HB2))

3.400
2.900
2.100 peak
24342
weight
0.10000E+01 volume
0.67750E+00 ppm1
0.517
ppm2
1.595

ASSI {24372}

((segid “PROT” and resid 26 and name HA))

((segid “PROT” and resid 56 and name HB1))

3.200
2.600
2.300 peak
24372
weight
0.10000E+01 volume
0.87170E+00 ppm1
3.925
ppm2
2.094

ASSI {24382}

((segid “PROT” and resid 26 and name HA))

((segid “PROT” and resid 56 and name HB2))

3.200
2.600
2.300 peak
24382
weight
0.10000E+01 volume
0.90000E+00 ppm1
3.926
ppm2
1.456

ASSI {24402}

(segid “PROT” and resid 82 and name HD%)

((segid “PROT” and resid 102 and name HB1))

3.500
3.100
2.000 peak
24402
weight
0.10000E+01 volume
0.52400E+00 ppm1
6.701
ppm2
1.471

ASSI {24532}

(segid “PROT” and resid 116 and name HD1%)

((segid “PROT” and resid 115 and name HB2))

3.100
2.400
2.400 peak
24532
weight
0.10000E+01 volume
0.12534E+01 ppm1
0.843
ppm2
1.613

ASSI {24562}

((segid “PROT” and resid 57 and name HG1))

((segid “PROT” and resid 57 and name HE2))

3.400
2.900
2.100 peak
24562
weight
0.10000E+01 volume
0.70530E+00 ppm1
1.531
ppm2
2.065

ASSI {24592}

((segid “PROT” and resid 39 and name HG2))

((segid “PROT” and resid 43 and name HA))

3.400
2.900
2.100 peak
24592
weight
0.10000E+01 volume
0.67070E+00 ppm1
1.463
ppm2
4.989

ASSI {24612}

((segid “PROT” and resid 44 and name HG1))

((segid “PROT” and resid 43 and name HA))

3.200
2.600
2.300 peak
24612
weight
0.10000E+01 volume
0.99940E+00 ppm1
2.209
ppm2
4.983

ASSI {24652}

((segid “PROT” and resid 32 and name HD1))

((segid “PROT” and resid 33 and name HD1))

3.600
3.200
1.900 peak
24652
weight
0.10000E+01 volume
0.49260E+00 ppm1
7.899
ppm2
2.263

ASSI {24662}

((segid “PROT” and resid 32 and name HD1))

((segid “PROT” and resid 33 and name HD2))

3.500
3.100
2.000 peak
24662
weight
0.10000E+01 volume
0.59000E+00 ppm1
7.890
ppm2
1.572

ASSI {24692}

(segid “PROT” and resid 115 and name HD2%)

((segid “PROT” and resid 113 and name HA))

3.300
2.700
2.200 peak
24692
weight
0.10000E+01 volume
0.72980E+00 ppm1
0.771
ppm2
4.336

ASSI {24722}

((segid “PROT” and resid 33 and name HD2))

((segid “PROT” and resid 31 and name HA))

3.300
2.700
2.200 peak
24722
weight
0.10000E+01 volume
0.77360E+00 ppm1
1.580
ppm2
4.438

ASSI {24732}

((segid “PROT” and resid 33 and name HD1))

((segid “PROT” and resid 31 and name HA))

3.200
2.600
2.300 peak
24732
weight
0.10000E+01 volume
0.88700E+00 ppm1
2.262
ppm2
4.438

ASSI {24742}

((segid “PROT” and resid 34 and name HB2))

((segid “PROT” and resid 31 and name HA))

3.300
2.700
2.200 peak
24742
weight
0.10000E+01 volume
0.72970E+00 ppm1
2.637
ppm2
4.436

ASSI {24782}

((segid “PROT” and resid 54 and name HG2))

((segid “PROT” and resid 54 and name HA))

3.100
2.400
2.400 peak
24782
weight
0.10000E+01 volume
0.11966E+01 ppm1
1.893
ppm2
4.985

ASSI {24792}

((segid “PROT” and resid 79 and name HG1))

((segid “PROT” and resid 76 and name HA))

3.300
2.700
2.200 peak
24792
weight
0.10000E+01 volume
0.78020E+00 ppm1
2.452
ppm2
4.113

ASSI {24822}

(segid “PROT” and resid 102 and name HD1%)

((segid “PROT” and resid 99 and name HA))

3.200
2.600
2.300 peak
24822
weight
0.10000E+01 volume
0.95780E+00 ppm1
0.759
ppm2
3.907

ASSI {24832}

((segid “PROT” and resid 102 and name HB2))

((segid “PROT” and resid 99 and name HA))

3.400
2.900
2.100 peak
24832
weight
0.10000E+01 volume
0.64070E+00 ppm1
1.268
ppm2
3.911

ASSI {24842}

((segid “PROT” and resid 87 and name HB2))

((segid “PROT” and resid 84 and name HA))

2.900
2.100
2.100 peak
24842
weight
0.10000E+01 volume
0.16758E+01 ppm1
2.059
ppm2
4.343

ASSI {24852}

(segid “PROT” and resid 82 and name HE%)

((segid “PROT” and resid 99 and name HA))

3.400
2.900
2.100 peak
24852
weight
0.10000E+01 volume
0.69880E+00 ppm1
6.487
ppm2
3.907

ASSI {24892}

((segid “PROT” and resid 10 and name HA))

((segid “PROT” and resid 9 and name HA))

3.200
2.600
2.300 peak
24892
weight
0.10000E+01 volume
0.99840E+00 ppm1
4.935
ppm2
4.357

ASSI {24912}

((segid “PROT” and resid 56 and name HG))

((segid “PROT” and resid 34 and name HA))

3.500
3.100
2.000 peak
24912
weight
0.10000E+01 volume
0.53580E+00 ppm1
1.755
ppm2
5.006

ASSI {24992}

((segid “PROT” and resid 30 and name HB1))

((segid “PROT” and resid 102 and name HA))

3.300
2.700
2.200 peak
24992
weight
0.10000E+01 volume
0.79400E+00 ppm1
4.361
ppm2
3.721

ASSI {25022}

((segid “PROT” and resid 112 and name HG1))

((segid “PROT” and resid 109 and name HA))

3.500
3.100
2.000 peak
25022
weight
0.10000E+01 volume
0.52490E+00 ppm1
2.382
ppm2
4.074

ASSI {25032}

((segid “PROT” and resid 52 and name HA))

((segid “PROT” and resid 51 and name HA))

3.500
3.100
2.000 peak
25032
weight
0.10000E+01 volume
0.59780E+00 ppm1
5.048
ppm2
3.876

ASSI {25092}

((segid “PROT” and resid 56 and name HB2))

((segid “PROT” and resid 56 and name HA))

2.400
1.400
1.400 peak
25092
weight
0.10000E+01 volume
0.47870E+01 ppm1
1.422
ppm2
4.075

ASSI {25112}

((segid “PROT” and resid 21 and name HG11))

((segid “PROT” and resid 18 and name HA))

3.300
2.700
2.200 peak
25112
weight
0.10000E+01 volume
0.75700E+00 ppm1
1.776
ppm2
3.313

ASSI {25122}

((segid “PROT” and resid 21 and name HA))

((segid “PROT” and resid 18 and name HA))

3.300
2.700
2.200 peak
25122
weight
0.10000E+01 volume
0.85990E+00 ppm1
3.800
ppm2
3.313

ASSI {25152}

((segid “PROT” and resid 73 and name HA))

((segid “PROT” and resid 68 and name HA))

2.900
2.100
2.100 peak
25152
weight
0.10000E+01 volume
0.16472E+01 ppm1
4.267
ppm2
4.561

ASSI {25262}

(segid “PROT” and resid 82 and name HD%)

((segid “PROT” and resid 103 and name HA))

3.300
2.700
2.200 peak
25262
weight
0.10000E+01 volume
0.84370E+00 ppm1
6.680
ppm2
3.223

ASSI {25272}

(segid “PROT” and resid 106 and name HD%)

((segid “PROT” and resid 103 and name HA))

3.100
2.400
2.400 peak
25272
weight
0.10000E+01 volume
0.12238E+01 ppm1
6.956
ppm2
3.222

ASSI {25312}

((segid “PROT” and resid 18 and name HB1))

((segid “PROT” and resid 19 and name HA))

3.500
3.100
2.000 peak
25312
weight
0.10000E+01 volume
0.56690E+00 ppm1
1.567
ppm2
3.719

ASSI {25322}

((segid “PROT” and resid 109 and name HB2))

((segid “PROT” and resid 106 and name HA))

3.300
2.700
2.200 peak
25322
weight
0.10000E+01 volume
0.81090E+00 ppm1
1.582
ppm2
3.997

ASSI {25362}

((segid “PROT” and resid 77 and name HB1))

((segid “PROT” and resid 74 and name HA))

3.100
2.400
2.400 peak
25362
weight
0.10000E+01 volume
0.11329E+01 ppm1
2.743
ppm2
3.801

ASSI {25452}

((segid “PROT” and resid 13 and name HB1))

((segid “PROT” and resid 8 and name HA))

3.300
2.700
2.200 peak
25452
weight
0.10000E+01 volume
0.83930E+00 ppm1
2.205
ppm2
4.457

ASSI {25462}

((segid “PROT” and resid 38 and name HA))

((segid “PROT” and resid 37 and name HA))

3.500
3.100
2.000 peak
25462
weight
0.10000E+01 volume
0.51900E+00 ppm1
3.494
ppm2
4.271

ASSI {25512}

(segid “PROT” and resid 102 and name HD2%)

((segid “PROT” and resid 30 and name HB1))

3.300
2.700
2.200 peak
25512
weight
0.10000E+01 volume
0.72760E+00 ppm1
0.769
ppm2
4.350

ASSI {25552}

((segid “PROT” and resid 39 and name HD2))

((segid “PROT” and resid 38 and name HA))

3.400
2.900
2.100 peak
25552
weight
0.10000E+01 volume
0.70210E+00 ppm1
1.644
ppm2
3.492

ASSI {25612}

((segid “PROT” and resid 33 and name HD2))

((segid “PROT” and resid 33 and name HA))

3.400
2.900
2.100 peak
25612
weight
0.10000E+01 volume
0.67050E+00 ppm1
1.563
ppm2
3.990

ASSI {25662}

(segid “PROT” and resid 18 and name HD2%)

((segid “PROT” and resid 17 and name HA))

3.500
3.100
2.000 peak
25662
weight
0.10000E+01 volume
0.52650E+00 ppm1
−0.159
ppm2
3.972

ASSI {25742}

((segid “PROT” and resid 18 and name HA))

((segid “PROT” and resid 17 and name HB))

3.300
2.700
2.200 peak
25742
weight
0.10000E+01 volume
0.76330E+00 ppm1
3.321
ppm2
4.267

ASSI {25772}

((segid “PROT” and resid 33 and name HD1))

(segid “PROT” and resid 31 and name HB%)

3.100
2.400
2.400 peak
25772
weight
0.10000E+01 volume
0.10817E+01 ppm1
2.264
ppm2
1.762

ASSI {25782}

((segid “PROT” and resid 34 and name HB2))

(segid “PROT” and resid 31 and name HB%)

3.600
3.200
1.900 peak
25782
weight
0.10000E+01 volume
0.45500E+00 ppm1
2.622
ppm2
1.754

ASSI {25792}

((segid “PROT” and resid 25 and name HA))

(segid “PROT” and resid 31 and name HB%)

3.000
2.200
2.200 peak
25792
weight
0.10000E+01 volume
0.14541E+01 ppm1
3.874
ppm2
1.758

ASSI {25802}

((segid “PROT” and resid 28 and name HA))

(segid “PROT” and resid 31 and name HB%)

3.000
2.200
2.200 peak
25802
weight
0.10000E+01 volume
0.13195E+01 ppm1
4.008
ppm2
1.762

ASSI {25832}

((segid “PROT” and resid 44 and name HA))

((segid “PROT” and resid 43 and name HA))

3.600
3.200
1.900 peak
25832
weight
0.10000E+01 volume
0.43420E+00 ppm1
4.550
ppm2
4.990

ASSI {25862}

((segid “PROT” and resid 38 and name HB))

(segid “PROT” and resid 43 and name HB%)

2.400
1.400
1.400 peak
25862
weight
0.10000E+01 volume
0.48630E+01 ppm1
1.079
ppm2
0.972

ASSI {25872}

((segid “PROT” and resid 39 and name HB2))

(segid “PROT” and resid 43 and name HB%)

2.400
1.400
1.400 peak
25872
weight
0.10000E+01 volume
0.54502E+01 ppm1
1.924
ppm2
0.978

ASSI {25882}

((segid “PROT” and resid 44 and name HD2))

(segid “PROT” and resid 43 and name HB%)

2.900
2.100
2.100 peak
25882
weight
0.10000E+01 volume
0.15646E+01 ppm1
3.567
ppm2
0.988

ASSI {25922}

((segid “PROT” and resid 102 and name HB1))

((segid “PROT” and resid 99 and name HA))

3.100
2.400
2.400 peak
25922
weight
0.10000E+01 volume
0.11328E+01 ppm1
1.478
ppm2
3.919

ASSI {25932}

((segid “PROT” and resid 103 and name HB2))

((segid “PROT” and resid 99 and name HA))

3.700
3.400
1.800 peak
25932
weight
0.10000E+01 volume
0.39400E+00 ppm1
1.319
ppm2
3.909

ASSI {25942}

((segid “PROT” and resid 102 and name HG))

((segid “PROT” and resid 99 and name HA))

3.200
2.600
2.300 peak
25942
weight
0.10000E+01 volume
0.89150E+00 ppm1
1.606
ppm2
3.905

ASSI {25962}

((segid “PROT” and resid 82 and name HB1))

((segid “PROT” and resid 99 and name HA))

3.700
3.400
1.800 peak
25962
weight
0.10000E+01 volume
0.38960E+00 ppm1
3.153
ppm2
3.915

ASSI {25972}

((segid “PROT” and resid 98 and name HA))

((segid “PROT” and resid 99 and name HA))

3.400
2.900
2.100 peak
25972
weight
0.10000E+01 volume
0.65570E+00 ppm1
4.227
ppm2
3.919

ASSI {25982}

(segid “PROT” and resid 34 and name HE%)

((segid “PROT” and resid 99 and name HA))

3.500
3.100
2.000 peak
25982
weight
0.10000E+01 volume
0.57510E+00 ppm1
7.199
ppm2
3.918

ASSI {25992}

((segid “PROT” and resid 86 and name HG1))

(segid “PROT” and resid 99 and name HB%)

2.500
1.600
1.600 peak
25992
weight
0.10000E+01 volume
0.45856E+01 ppm1
1.349
ppm2
1.658

ASSI {26002}

((segid “PROT” and resid 86 and name HB1))

(segid “PROT” and resid 99 and name HB%)

2.700
1.800
1.800 peak
26002
weight
0.10000E+01 volume
0.28316E+01 ppm1
1.779
ppm2
1.650

ASSI {26012}

((segid “PROT” and resid 85 and name HB2))

(segid “PROT” and resid 99 and name HB%)

2.400
1.400
1.400 peak
26012
weight
0.10000E+01 volume
0.50444E+01 ppm1
3.088
ppm2
1.657

ASSI {26062}

(segid “PROT” and resid 17 and name HG2%)

((segid “PROT” and resid 113 and name HA))

3.300
2.700
2.200 peak
26062
weight
0.10000E+01 volume
0.74500E+00 ppm1
1.176
ppm2
4.352

ASSI {26072}

((segid “PROT” and resid 115 and name HG))

((segid “PROT” and resid 113 and name HA))

3.600
3.200
1.900 peak
26072
weight
0.10000E+01 volume
0.47150E+00 ppm1
1.567
ppm2
4.354

ASSI {26092}

((segid “PROT” and resid 112 and name HA))

((segid “PROT” and resid 113 and name HA))

3.700
3.400
1.800 peak
26092
weight
0.10000E+01 volume
0.41410E+00 ppm1
4.027
ppm2
4.359

ASSI (26102)

(segid “PROT” and resid 18 and name HD2%)

(segid “PROT” and resid 113 and name HB%)

3.500
3.100
2.000 peak
26102
weight
0.10000E+01 volume
0.53320E+00 ppm1
−0.167
ppm2
1.415

ASSI {26112}

(segid “PROT” and resid 14 and name HD1%)

(segid “PROT” and resid 113 and name HB%)

3.300
2.700
2.200 peak
26112
weight
0.10000E+01 volume
0.78270E+00 ppm1
0.842
ppm2
1.411

ASSI {26122}

((segid “PROT” and resid 115 and name HB2))

(segid “PROT” and resid 113 and name HB%)

2.400
1.400
1.400 peak
26122
weight
0.10000E+01 volume
0.50600E+01 ppm1
1.609
ppm2
1.405

ASSI {26162}

((segid “PROT” and resid 28 and name HB1))

((segid “PROT” and resid 25 and name HA))

3.200
2.600
2.300 peak
26162
weight
0.10000E+01 volume
0.96480E+00 ppm1
3.022
ppm2
3.869

ASSI {26172}

((segid “PROT” and resid 28 and name HD2))

((segid “PROT” and resid 25 and name HA))

3.600
3.200
1.900 peak
26172
weight
0.10000E+01 volume
0.47840E+00 ppm1
5.024
ppm2
3.873

ASSI {26182}

(segid “PROT” and resid 78 and name HD1%)

((segid “PROT” and resid 25 and name HB))

3.600
3.200
1.900 peak
26182
weight
0.10000E+01 volume
0.49810E+00 ppm1
0.104
ppm2
2.445

ASSI {26192}

(segid “PROT” and resid 102 and name HD2%)

((segid “PROT” and resid 25 and name HB))

3.300
2.700
2.200 peak
26192
weight
0.10000E+01 volume
0.72760E+00 ppm1
0.766
ppm2
2.437

ASSI {26202}

((segid “PROT” and resid 22 and name HA))

((segid “PROT” and resid 25 and name HB))

2.500
1.600
1.600 peak
26202
weight
0.10000E+01 volume
0.42061E+01 ppm1
4.151
ppm2
2.441

ASSI {26222}

(segid “PROT” and resid 63 and name HD1%)

(segid “PROT” and resid 18 and name HD1%)

2.800
2.000
2.000 peak
26222
weight
0.10000E+01 volume
0.23014E+01 ppm1
0.880
ppm2
0.513

ASSI {26242}

((segid “PROT” and resid 85 and name HB1))

((segid “PROT” and resid 82 and name HA))

3.200
2.600
2.300 peak
26242
weight
0.10000E+01 volume
0.92110E+00 ppm1
3.421
ppm2
4.230

ASSI {26292}

(segid “PROT” and resid 102 and name HD2%)

((segid “PROT” and resid 30 and name HB2))

3.000
2.200
2.200 peak
26292
weight
0.10000E+01 volume
0.15286E+01 ppm1
0.773
ppm2
3.978

ASSI {26312}

((segid “PROT” and resid 102 and name HG))

((segid “PROT” and resid 30 and name HB2))

3.500
3.100
2.000 peak
26312
weight
0.10000E+01 volume
0.57310E+00 ppm1
1.596
ppm2
3.980

ASSI {26332}

((segid “PROT” and resid 32 and name HE3))

((segid “PROT” and resid 32 and name HA))

3.000
2.200
2.200 peak
26332
weight
0.10000E+01 volume
0.12697E+01 ppm1
7.359
ppm2
4.412

ASSI {26342}

((segid “PROT” and resid 32 and name HD1))

((segid “PROT” and resid 32 and name HA))

3.400
2.900
2.100 peak
26342
weight
0.10000E+01 volume
0.67130E+00 ppm1
7.889
ppm2
4.410

ASSI {26352}

((segid “PROT” and resid 35 and name HB2))

((segid “PROT” and resid 32 and name HB1))

3.500
3.100
2.000 peak
26352
weight
0.10000E+01 volume
0.52260E+00 ppm1
2.213
ppm2
3.637

ASSI {26392}

((segid “PROT” and resid 32 and name HB2))

((segid “PROT” and resid 33 and name HD2))

3.400
2.900
2.100 peak
26392
weight
0.10000E+01 volume
0.60950E+00 ppm1
3.409
ppm2
1.593

ASSI {26442}

(segid “PROT” and resid 69 and name HG2%)

((segid “PROT” and resid 11 and name HB1))

2.800
2.000
2.000 peak
26442
weight
0.10000E+01 volume
0.21371E+01 ppm1
0.863
ppm2
2.357

ASSI {26452}

(segid “PROT” and resid 69 and name HG1%)

((segid “PROT” and resid 11 and name HB1))

2.800
2.000
2.000 peak
26452
weight
0.10000E+01 volume
0.20188E+01 ppm1
0.990
ppm2
2.356

ASSI {26562}

((segid “PROT” and resid 54 and name HB2))

((segid “PROT” and resid 81 and name HA))

3.100
2.400
2.400 peak
26562
weight
0.10000E+01 volume
0.12209E+01 ppm1
1.398
ppm2
3.123

ASSI {26572}

(segid “PROT” and resid 73 and name HD1%)

((segid “PROT” and resid 70 and name HB1))

3.100
2.400
2.400 peak
26572
weight
0.10000E+01 volume
0.10554E+01 ppm1
0.969
ppm2
4.226

ASSI {26612}

(segid “PROT” and resid 68 and name HD%)

((segid “PROT” and resid 74 and name HA))

2.800
2.000
2.000 peak
26612
weight
0.10000E+01 volume
0.19551E+01 ppm1
7.210
ppm2
3.815

ASSI {26622}

((segid “PROT” and resid 66 and name HD1))

((segid “PROT” and resid 67 and name HA))

2.600
1.700
1.700 peak
26622
weight
0.10000E+01 volume
0.32309E+01 ppm1
3.088
ppm2
4.108

ASSI {26632}

(segid “PROT” and resid 116 and name HG2%)

((segid “PROT” and resid 111 and name HA))

2.600
1.700
1.700 peak
26632
weight
0.10000E+01 volume
0.31272E+01 ppm1
0.840
ppm2
4.094

ASSI {26642}

((segid “PROT” and resid 110 and name HG12))

((segid “PROT” and resid 111 and name HA))

3.300
2.700
2.200 peak
26642
weight
0.10000E+01 volume
0.86670E+00 ppm1
1.099
ppm2
4.092

ASSI {26692}

((segid “PROT” and resid 34 and name HZ))

(segid “PROT” and resid 81 and name HG2%)

2.700
1.800
1.800 peak
26692
weight
0.10000E+01 volume
0.23973E+01 ppm1
7.278
ppm2
0.151

ASSI {26712}

((segid “PROT” and resid 82 and name HN))

((segid “PROT” and resid 82 and name HB1))

3.800
3.600
1.700 peak
26712
weight
0.10000E+01 volume
0.36330E+00 ppm1
6.440
ppm2
3.146

ASSI {26792}

(segid “PROT” and resid 107 and name HD%)

((segid “PROT” and resid 104 and name HA))

3.000
2.200
2.200 peak
26792
weight
0.10000E+01 volume
0.13833E+01 ppm1
7.239
ppm2
4.112

ASSI {352}

((segid “PROT” and resid 11 and name HA))

((segid “PROT” and resid 8 and name HG1))

2.400
2.400
2.100 peak
352
weight
0.10000E+01 volume
0.50737E+01 ppm1
4.376
ppm2
2.024

ASSI {1382}

((segid “PROT” and resid 62 and name HA))

((segid “PROT” and resid 65 and name HB2))

2.800
2.000
2.000 peak
1382
weight
0.10000E+01 volume
0.23053E+01 ppm1
3.907
ppm2
2.808

ASSI {1392}

((segid “PROT” and resid 97 and name HA))

((segid “PROT” and resid 92 and name HG2))

2.600
1.700
1.700 peak
1392
weight
0.10000E+01 volume
0.37031E+01 ppm1
4.250
ppm2
2.295

ASSI {1442}

((segid “PROT” and resid 116 and name HA))

((segid “PROT” and resid 6 and name HG1))

2.700
1.800
1.800 peak
1442
weight
0.10000E+01 volume
0.24084E+01 ppm1
4.257
ppm2
1.453

OR {1442}

((segid “PROT” and resid 116 and name HA))

((segid “PROT” and resid 6 and name HG2))

ASSI {1562}

((segid “PROT” and resid 103 and name HA ))

(segid “PROT” and resid 82 and name HE%)

2.800
2.000
2.000 peak
1562
weight
0.10000E+01 volume
0.20471E+01 ppm1
3.221
ppm2
6.482

ASSI {1622}

((segid “PROT” and resid 26 and name HA))

((segid “PROT” and resid 26 and name HB1))

2.300
1.300
1.300 peak
1622
weight
0.10000E+01 volume
0.67915E+01 ppm1
3.934
ppm2
1.916

ASSI {1662}

((segid “PROT” and resid 26 and name HA))

((segid “PROT” and resid 26 and name HG1))

2.700
1.800
1.800 peak
1662
weight
0.10000E+01 volume
0.26801E+01 ppm1
3.935
ppm2
1.533

ASSI {1912}

((segid “PROT” and resid 86 and name HA))

(segid “PROT” and resid 96 and name HE%)

2.600
1.700
1.700 peak
1912
weight
0.10000E+01 volume
0.36159E+01 ppm1
4.263
ppm2
7.051

ASSI {3732}

((segid “PROT” and resid 9 and name HD1))

((segid “PROT” and resid 7 and name HB1))

2.900
2.100
2.100 peak
3732
weight
0.10000E+01 volume
0.17407E+01 ppm1
3.222
ppm2
2.070

ASSI {3742}

((segid “PROT” and resid 9 and name HD1))

(segid “PROT” and resid 14 and name HD1%)

2.900
2.100
2.100 peak
3742
weight
0.10000E+01 volume
0.15626E+01 ppm1
3.227
ppm2
0.837

OR {3742}

((segid “PROT” and resid 9 and name HD1))

(segid “PROT” and resid 14 and name HD2%)

ASSI {3962}

((segid “PROT” and resid 63 and name HB1))

((segid “PROT” and resid 60 and name HB1))

2.900
2.100
2.100 peak
3962
weight
0.10000E+01 volume
0.19046E+01 ppm1
2.349
ppm2
4.239

ASSI {4122}

((segid “PROT” and resid 6 and name HE1))

((segid PROT” and resid 116 and name HA))

2.100
1.100
1.100 peak
4122
weight
0.10000E+01 volume
0.11238E+02 ppm1
3.015
ppm2
4.245

ASSI {4162}

((segid “PROT” and resid 64 and name HE1))

((segid “PROT” and resid 61 and name HG1))

2.800
2.000
2.000 peak
4162
weight
0.10000E+01 volume
0.19795E+01 ppm1
3.053
ppm2
2.392

ASSI {4182}

((segid “PROT” and resid 97 and name HE1))

((segid “PROT” and resid 97 and name HB1))

2.300
1.300
1.300 peak
4182
weight
0.10000E+01 volume
0.75764E+01 ppm1
3.027
ppm2
2.101

ASSI {4222}

((segid “PROT” and resid 19 and name HE1))

((segid “PROT” and resid 19 and name HG1))

2.200
1.200
1.200 peak
4222
weight
0.10000E+01 volume
0.87095E+01 ppm1
2.967
ppm2
1.310

ASSI {4252}

((segid “PROT” and resid 19 and name HE1))

(segid “PROT” and resid 63 and name HD1%)

2.800
2.000
2.000 peak
4252
weight
0.10000E+01 volume
0.20298E+01 ppm1
2.990
ppm2
0.921

ASSI {4612}

((segid “PROT” and resid 86 and name HE1))

((segid “PROT” and resid 103 and name HB1))

2.800
2.000
2.000 peak
4612
weight
0.10000E+01 volume
0.21144E+01 ppm1
2.508
ppm2
1.828

ASSI {4632}

((segid “PROT” and resid 86 and name HE1))

(segid “PROT” and resid 99 and name HB%)

2.800
2.000
2.000 peak
4632
weight
0.10000E+01 volume
0.19300E+01 ppm1
2.506
ppm2
1.665

ASSI {4672}

((segid “PROT” and resid 86 and name HE1))

((segid “PROT” and resid 86 and name HD1))

2.400
1.400
1.400 peak
4672
weight
0.10000E+01 volume
0.59325E+01 ppm1
2.506
ppm2
1.340

OR {4672}

((segid “PROT” and resid 86 and name HE1))

((segid “PROT” and resid 86 and name HG1))

ASSI {4742}

((segid “PROT” and resid 86 and name HE1))

((segid “PROT” and resid 86 and name HG2))

2.900
2.100
2.100 peak
4742
weight
0.10000E+01 volume
0.16989E+01 ppm1
2.498
ppm2
0.168

OR {4742}

((segid “PROT” and resid 86 and name HE2))

((segid “PROT” and resid 86 and name HG2))

ASSI {6012}

((segid “PROT” and resid 42 and name HG2))

((segid “PROT” and resid 39 and name HG1))

2.700
1.800
1.800 peak
6012
weight
0.10000E+01 volume
0.29022E+01 ppm1
2.303
ppm2
1.675

ASSI {6632}

((segid “PROT” and resid 111 and name HB1))

((segid “PROT” and resid 111 and name HD1))

1.900
0.900
0.900 peak
6632
weight
0.10000E+01 volume
0.19710E+02 ppm1
1.940
ppm2
1.692

ASSI {6682}

((segid “PROT” and resid 86 and name HB1))

(segid “PROT” and resid 96 and name HE%)

2.900
2.100
2.100 peak
6682
weight
0.10000E+01 volume
0.16294E+01 ppm1
1.808
ppm2
7.051

ASSI {6922}

((segid “PROT” and resid 64 and name HB1))

((segid “PROT” and resid 61 and name HA))

2.200
1.200
1.200 peak
6922
weight
0.10000E+01 volume
0.80769E+01 ppm1
2.068
ppm2
4.094

ASSI {7882}

((segid “PROT” and resid 86 and name HD1))

(segid “PROT” and resid 96 and name HE%)

3.000
2.200
2.200 peak
7882
weight
0.10000E+01 volume
0.15219E+01 ppm1
1.364
ppm2
7.049

ASSI {7892}

((segid “PROT” and resid 19 and name HD1))

(segid “PROT” and resid 15 and name HE%)

2.600
1.700
1.700 peak
7892
weight
0.10000E+01 volume
0.34592E+01 ppm1
1.640
ppm2
6.922

ASSI {7922}

((segid “PROT” and resid 86 and name HD1))

((segid “PROT” and resid 86 and name HA))

2.900
2.100
2.100 peak
7922
weight
0.10000E+01 volume
0.18440E+01 ppm1
1.341
ppm2
4.265

ASSI {7952}

((segid “PROT” and resid 112 and name HB1))

((segid “PROT” and resid 109 and name HA))

2.100
1.100
1.100 peak
7952
weight
0.10000E+01 volume
0.11736E+02 ppm1
2.106
ppm2
4.081

ASSI {7982}

((segid “PROT” and resid 57 and name HD1))

((segid “PROT” and resid 37 and name HD1))

2.700
1.800
1.800 peak
7982
weight
0.10000E+01 volume
0.28210E+01 ppm1
1.730
ppm2
3.708

ASSI {8012}

((segid “PROT” and resid 86 and name HD1))

((segid “PROT” and resid 86 and name HE1))

2.700
1.800
1.800 peak
8012
weight
0.10000E+01 volume
0.27789E+01 ppm1
1.336
ppm2
2.524

ASSI {8032}

((segid “PROT” and resid 86 and name HD1))

((segid “PROT” and resid 86 and name HE2))

2.600
1.700
1.700 peak
8032
weight
0.10000E+01 volume
0.29928E+01 ppm1
1.368
ppm2
2.471

OR {8032}

((segid “PROT” and resid 86 and name HD1))

((segid “PROT” and resid 86 and name HE1))

ASSI {8072}

((segid “PROT” and resid 111 and name HD1))

((segid “PROT” and resid 112 and name HG2))

2.400
2.400
2.100 peak
8072
weight
0.10000E+01 volume
0.48306E+01 ppm1
1.696
ppm2
2.215

ASSI {8102}

((segid “PROT” and resid 86 and name HD1))

((segid “PROT” and resid 86 and name HG2))

2.400
1.400
1.400 peak
8102
weight
0.10000E+01 volume
0.47467E+01 ppm1
1.360
ppm2
0.169

ASSI {8182}

((segid “PROT” and resid 64 and name HD1))

((segid “PROT” and resid 64 and name HB1))

2.000
1.000
1.000 peak
8182
weight
0.10000E+01 volume
0.14643E+02 ppm1
1.792
ppm2
2.096

ASSI {8242}

((segid “PROT” and resid 39 and name HD2))

((segid “PROT” and resid 39 and name HA))

2.600
1.700
1.700 peak
8242
weight
0.10000E+01 volume
0.30605E+01 ppm1
1.676
ppm2
4.452

ASSI {8742}

((segid “PROT” and resid 78 and name HG))

((segid “PROT” and resid 82 and name HE%)

3.000
2.200
2.200 peak
8742
weight
0.10000E+01 volume
0.15179E+01 ppm1
0.689
ppm2
6.468

ASSI {9112}

((segid “PROT” and resid 115 and name HG))

((segid “PROT” and resid 75 and name HG2))

2.900
2.100
2.100 peak
9112
weight
0.10000E+01 volume
0.18866E+01 ppm1
1.545
ppm2
2.216

ASSI {9162}

((segid “PROT” and resid 56 and name HG))

((segid “PROT” and resid 56 and name HB2))

2.800
2.000
2.000 peak
9162
weight
0.10000E+01 volume
0.19931E+01 ppm1
1.776
ppm2
1.409

ASSI {9412}

((segid “PROT” and resid 26 and name HG1))

((segid “PROT” and resid 26 and name HB1))

2.100
1.100
1.100 peak
9412
weight
0.10000E+01 volume
0.12118E+02 ppm1
1.528
ppm2
1.896

ASSI {9452}

((segid “PROT” and resid 63 and name HG))

((segid “PROT” and resid 18 and name HB1))

2.300
1.300
1.300 peak
9452
weight
0.10000E+01 volume
0.69171E+01 ppm1
1.875
ppm2
1.539

ASSI {9522}

((segid “PROT” and resid 26 and name HG1))

(segid “PROT” and resid 56 and name HD1%)

2.600
1.700
1.700 peak
9522
weight
0.10000E+01 volume
0.30036E+01 ppm1
1.532
ppm2
0.976

ASSI {9982}

((segid “PROT” and resid 97 and name HG1))

((segid “PROT” and resid 97 and name HE1))

2.600
1.700
1.700 peak
9982
weight
0.10000E+01 volume
0.35375E+01 ppm1
1.844
ppm2
3.009

ASSI {10022}

((segid “PROT” and resid 97 and name HG2))

((segid “PROT” and resid 97 and name HG1))

2.000
1.000
1.000 peak
10022
weight
0.10000E+01 volume
0.17308E+02 ppm1
1.609
ppm2
1.842

ASSI {10202}

((segid “PROT” and resid 39 and name HG1))

((segid “PROT” and resid 39 and name HA))

2.700
1.800
1.800 peak
10202
weight
0.10000E+01 volume
0.28740E+01 ppm1
1.623
ppm2
4.451

ASSI {10212}

((segid “PROT” and resid 39 and name HG2))

((segid “PROT” and resid 39 and name HA))

2.500
1.600
1.600 peak
10212
weight
0.10000E+01 volume
0.46613E+01 ppm1
1.470
ppm2
4.449

ASSI {10612}

(segid “PROT” and resid 102 and name HD1%)

((segid “PROT” and resid 34 and name HZ))

2.500
1.600
1.600 peak
10612
weight
0.10000E+01 volume
0.42774E+01 ppm1
0.762
ppm2
7.257

ASSI {10622}

(segid “PROT” and resid 102 and name HD1%)

(segid “PROT” and resid 34 and name HD%)

2.500
1.600
1.600 peak
10622
weight
0.10000E+01 volume
0.45270E+01 ppm1
0.763
ppm2
7.189

OR {10622}

(segid “PROT” and resid 102 and name HD1%)

(segid “PROT” and resid 34 and name HE%)

ASSI {10642}

((segid “PROT” and resid 57 and name HG1))

((segid “PROT” and resid 37 and name HA))

2.400
1.400
1.400 peak
10642
weight
0.10000E+01 volume
0.51970E+01 ppm1
1.545
ppm2
4.249

ASSI {10822}

((segid “PROT” and resid 64 and name HG1))

((segid “PROT” and resid 64 and name HB1))

2.100
1.100
1.100 peak
10822
weight
0.10000E+01 volume
0.11069E+02 ppm1
1.647
ppm2
2.091

ASSI {10832}

((segid “PROT” and resid 6 and name HG1))

((segid “PROT” and resid 6 and name HB1))

2.000
1.000
1.000 peak
10832
weight
0.10000E+01 volume
0.14254E+02 ppm1
1.459
ppm2
1.889

OR {10832}

((segid “PROT” and resid 6 and name HG2))

((segid “PROT” and resid 6 and name HB1))

ASSI {10842}

((segid “PROT” and resid 64 and name HG1))

((segid “PROT” and resid 64 and name HD1))

1.900
0.900
0.900 peak
10842
weight
0.10000E+01 volume
0.24855E+02 ppm1
1.623
ppm2
1.783

ASSI {10892}

((segid “PROT” and resid 19 and name HG1))

(segid “PROT” and resid 63 and name HD1%)

2.400
1.400
1.400 peak
10892
weight
0.10000E+01 volume
0.52665E+01 ppm1
1.302
ppm2
0.919

ASSI {11172}

(segid “PROT” and resid 22 and name HD2%)

(segid “PROT” and resid 74 and name HE%)

2.400
2.400
2.100 peak
11172
weight
0.10000E+01 volume
0.54920E+01 ppm1
1.050
ppm2
6.962

ASSI {11252}

(segid “PROT” and resid 22 and name HD2%)

(segid “PROT” and resid 25 and name HG1%)

2.600
1.700
1.700 peak
11252
weight
0.10000E+01 volume
0.33026E+01 ppm1
1.054
ppm2
1.253

ASSI {11392}

((segid “PROT” and resid 109 and name HG1))

((segid “PROT” and resid 109 and name HB1))

2.200
1.200
1.200 peak
11392
weight
0.10000E+01 volume
0.98792E+01 ppm1
0.815
ppm2
1.750

ASSI {11712}

(segid “PROT” and resid 38 and name HG1%)

(segid “PROT” and resid 46 and name HE%)

2.600
1.700
1.700 peak
11712
weight
0.10000E+01 volume
0.34807E+01 ppm1
0.496
ppm2
5.996

ASSI {11822}

(segid “PROT” and resid 41 and name HG2%)

((segid PROT” and resid 42 and name HG2))

2.800
2.000
2.000 peak
11822
weight
0.10000E+01 volume
0.20436E+01 ppm1
1.342
ppm2
2.237

OR {11822}

(segid “PROT” and resid 41 and name HG2%)

((segid “PROT” and resid 42 and name HB1))

ASSI {12062}

(segid “PROT” and resid 81 and name HG2%)

((segid “PROT” and resid 56 and name HG))

2.800
2.000
2.000 peak
12062
weight
0.1.0000E+01 volume
0.19114E+01 ppm1
0.159
ppm2
1.772

ASSI {12272}

(segid “PROT” and resid 49 and name HG2%)

(segid “PROT” and resid 88 and name HD%)

2.600
1.700
1.700 peak
12272
weight
0.10000E+01 volume
0.34730E+01 ppm1
0.946
ppm2
6.976

ASSI {12392}

(segid “PROT” and resid 18 and name HD2%)

(segid “PROT” and resid 74 and name HE%)

2.700
1.800
1.800 peak
12392
weight
0.10000E+01 volume
0.28804E+01 ppm1
−0.158
ppm2
6.969

ASSI (12842)

(segid “PROT” and resid 110 and name HG2%)

(segid “PROT” and resid 21 and name HG2%)

2.400
1.400
1.400 peak
12842
weight
0.10000E+01 volume
0.57140E+01 ppm1
0.693
ppm2
1.023

ASSI {13192}

(segid “PROT” and resid 21 and name HG2%)

(segid “PROT” and resid 110 and name HD1%)

2.800
2.000
2.000 peak
13192
weight
0.10000E+01 volume
0.20914E+01 ppm1
1.018
ppm2
0.571

ASSI {13312}

(segid “PROT” and resid 75 and name HE%)

((segid “PROT” and resid 79 and name HG1))

2.800
2.000
2.000 peak
13312
weight
0.10000E+01 volume
0.21237E+01 ppm1
2.092
ppm2
2.493

ASSI {13522}

(segid “PROT” and resid 59 and name HE%)

(segid “PROT” and resid 74 and name HE%)

2.500
1.600
1.600 peak
13522
weight
0.10000E+01 volume
0.46777E+01 ppm1
1.309
ppm2
6.967

ASSI {13532}

(segid “PROT” and resid 59 and name HE%)

(segid “PROT” and resid 74 and name HD%)

2.800
2.000
2.000 peak
13532
weight
0.10000E+01 volume
0.22023E+01 ppm1
1.313
ppm2
6.438

ASSI {13882}

(segid “PROT” and resid 101 and name HD1%)

((segid “PROT” and resid 97 and name HE1))

3.000
2.200
2.200 peak
13882
weight
0.10000E+01 volume
0.15141E+01 ppm1
0.992
ppm2
3.007

ASSI {14042}

(segid “PROT” and resid 116 and name HD1%)

((segid “PROT” and resid 75 and name HB1))

2.900
2.100
2.100 peak
14042
weight
0.10000E+01 volume
0.17704E+01 ppm1
0.827
ppm2
2.933

ASSI {14122}

(segid “PROT” and resid 116 and name HD1%)

((segid “PROT” and resid 110 and name HG12))

2.600
1.700
1.700 peak
14122
weight
0.10000E+01 volume
0.30126E+01 ppm1
0.821
ppm2
1.083

ASSI {14172}

(segid “PROT” and resid 110 and name HD1%)

(segid “PROT” and resid 107 and name HD%)

2.700
1.800
1.800 peak
14172
weight
0.10000E+01 volume
0.25688E+01 ppm1
0.568
ppm2
7.237

ASSI {14532}

(segid “PROT” and resid 17 and name HG2%)

(segid “PROT” and resid 18 and name HD1%)

3.100
2.400
2.400 peak
14532
weight
0.10000E+01 volume
0.11123E+01 ppm1
1.184
ppm2
0.520

ASSI {15272}

(segid “PROT” and resid 81 and name HG1%)

(segid “PROT” and resid 34 and name HD%)

3.200
2.600
2.300 peak
15272
weight
0.10000E+01 volume
0.91000E+00 ppm1
0.499
ppm2
7.183

OR {15272}

(segid “PROT” and resid 81 and name HG1%)

(segid “PROT” and resid 34 and name HE%)

ASSI {15312}

(segid “PROT” and resid 38 and name HG2%)

(segid “PROT” and resid 46 and name HE%)

3.000
2.200
2.200 peak
15312
weight
0.10000E+01 volume
0.14457E+01 ppm1
−0.010
ppm2
5.996

ASSI {15362}

(segid “PROT” and resid 38 and name HG2%)

((segid “PROT” and resid 46 and name HB1))

3.100
2.400
2.400 peak
15362
weight
0.10000E+01 volume
0.10649E+01 ppm1
−0.007
ppm2
2.757

ASSI {15892}

(segid “PROT” and resid 56 and name HD2%)

(segid “PROT” and resid 25 and name HG1%)

3.100
2.400
2.400 peak
15892
weight
0.10000E+01 volume
0.10650E+01 ppm1
0.679
ppm2
1.248

ASSI {16042}

((segid “PROT” and resid 63 and name HB2))

((segid “PROT” and resid 60 and name HB1))

3.200
2.600
2.300 peak
16042
weight
0.10000E+01 volume
0.96490E+00 ppm1
1.967
ppm2
4.248

ASSI {16132}

(segid “PROT” and resid 63 and name HD2%)

(segid “PROT” and resid 74 and name HD%)

3.100
2.400
2.400 peak
16132
weight
0.10000E+01 volume
0.11722E+01 ppm1
1.080
ppm2
6.426

ASSI {16252}

(segid “PROT” and resid 73 and name HD2%)

((segid “PROT” and resid 70 and name HB2))

3.200
2.600
2.300 peak
16252
weight
0.10000E+01 volume
0.96550E+00 ppm1
0.929
ppm2
3.790

ASSI {16922}

(segid “PROT” and resid 50 and name HD1%)

(segid “PROT” and resid 88 and name HD%)

3.000
2.200
2.200 peak
16922
weight
0.10000E+01 volume
0.13378E+01 ppm1
0.582
ppm2
6.971

ASSI {17102}

(segid “PROT” and resid 101 and name HG2%)

((segid “PROT” and resid 29 and name HB1))

3.400
2.900
2.100 peak
17102
weight
0.10000E+01 volume
0.61290E+00 ppm1
1.029
ppm2
2.109

ASSI {17302}

((segid “PROT” and resid 116 and name HB))

(segid “PROT” and resid 110 and name HG2%)

3.300
2.700
2.200 peak
17302
weight
0.10000E+01 volume
0.80280E+00 ppm1
1.852
ppm2
0.694

ASSI {18462}

((segid “PROT” and resid 54 and name HB1))

(segid “PROT” and resid 58 and name HG2%)

3.400
2.900
2.100 peak
18462
weight
0.10000E+01 volume
0.64170E+00 ppm1
2.058
ppm2
1.120

ASSI {18482}

(segid “PROT” and resid 59 and name HE%)

(segid “PROT” and resid 18 and name HD2%)

3.400
2.900
2.100 peak
18482
weight
0.10000E+01 volume
0.60840E+00 ppm1
1.306
ppm2
−0.172

ASSI {18852}

((segid “PROT” and resid 64 and name HA))

((segid “PROT” and resid 64 and name HB1))

2.100
1.100
1.100 peak
18852
weight
0.10000E+01 volume
0.11301E+02 ppm1
4.374
ppm2
2.092

ASSI {19072}

((segid “PROT” and resid 45 and name HA1))

((segid “PROT” and resid 44 and name HA))

3.300
2.700
2.200 peak
19072
weight
0.10000E+01 volume
0.78950E+00 ppm1
3.907
ppm2
4.526

ASSI {19292}

((segid “PROT” and resid 97 and name HG1))

((segid “PROT” and resid 97 and name HB1))

2.200
1.200
1.200 peak
19292
weight
0.10000E+01 volume
0.81546E+01 ppm1
1.853
ppm2
2.117

ASSI {19312}

((segid “PROT” and resid 97 and name HG2))

((segid “PROT” and resid 97 and name HB1))

2.300
1.300
1.300 peak
19312
weight
0.10000E+01 volume
0.65967E+01 ppm1
1.608
ppm2
2.109

ASSI {19392}

(segid “PROT” and resid 49 and name HG1%)

((segid “PEPT” and resid 202 and name HB1))

2.700
1.800
1.800 peak
19392
weight
0.10000E+01 volume
0.25893E+01 ppm1
0.974
ppm2
3.133

ASSI {19542}

((segid “PROT” and resid 53 and name HD2))

((segid “PROT” and resid 51 and name HB2))

3.500
3.100
2.000 peak
19542
weight
0.10000E+01 volume
0.55650E+00 ppm1
3.438
ppm2
1.208

OR {19542}

((segid “PROT” and resid 53 and name HD2))

((segid “PROT” and resid 51 and name HG2))

ASSI {19902}

(segid “PROT” and resid 49 and name HG2%)

(segid “PEPT” and resid 202 and name HD%)

2.800
2.000
2.000 peak
19902
weight
0.10000E+01 volume
0.19805E+01 ppm1
0.950
ppm2
7.165

ASSI {20122}

((segid “PROT” and resid 36 and name HB1))

((segid “PROT” and resid 37 and name HD1))

2.500
1.600
1.600 peak
20122
weight
0.10000E+01 volume
0.43249E+01 ppm1
2.155
ppm2
3.703

ASSI {20352}

((segid “PROT” and resid 82 and name HB2))

(segid “PROT” and resid 82 and name HE%)

3.500
3.100
2.000 peak
20352
weight
0.10000E+01 volume
0.57940E+00 ppm1
3.014
ppm2
6.489

ASSI {20372}

((segid “PROT” and resid 106 and name HB1))

(segid “PROT” and resid 82 and name HE%)

3.100
2.400
2.400 peak
20372
weight
0.10000E+01 volume
0.12466E+01 ppm1
3.360
ppm2
6.464

ASSI {20402}

((segid “PROT” and resid 106 and name HA))

(segid “PROT” and resid 110 and name HG2%)

3.500
3.100
2.000 peak
20402
weight
0.10000E+01 volume
0.59050E+00 ppm1
4.003
ppm2
0.702

ASSI {20782}

(segid “PROT” and resid 38 and name HG2%)

((segid “PROT” and resid 39 and name HG2))

3.300
2.700
2.200 peak
20782
weight
0.10000E+01 volume
0.72730E+00 ppm1
−0.003
ppm2
1.478

ASSI {20982}

((segid “PROT” and resid 26 and name HG1))

((segid “PROT” and resid 35 and name HG1))

3.200
2.600
2.300 peak
20982
weight
0.10000E+01 volume
0.10083E+01 ppm1
1.534
ppm2
2.892

ASSI {21042}

(segid “PROT” and resid 50 and name HD1%)

(segid “PROT” and resid 88 and name HE%)

3.300
2.700
2.200 peak
21042
weight
0.10000E+01 volume
0.73200E+00 ppm1
0.582
ppm2
6.661

ASSI {21132}

(segid “PROT” and resid 116 and name HD1%)

(segid “PROT” and resid 107 and name HD%)

3.000
2.200
2.200 peak
21132
weight
0.10000E+01 volume
0.14426E+01 ppm1
0.827
ppm2
7.236

ASSI {21212}

(segid “PROT” and resid 21 and name HD1%)

((segid “PROT” and resid 74 and name HB1))

3.200
2.600
2.300 peak
21212
weight
0.10000E+01 volume
0.96830E+00 ppm1
0.656
ppm2
3.041

ASSI {21232}

(segid “PROT” and resid 21 and name HD1%)

((segid “PROT” and resid 17 and name HB))

3.100
2.400
2.400 peak
21232
weight
0.10000E+01 volume
0.11130E+01 ppm1
0.652
ppm2
4.288

ASSI {21342}

(segid “PROT” and resid 35 and name HE%)

((segid “PROT” and resid 32 and name HH2))

3.500
3.100
2.000 peak
21342
weight
0.10000E+01 volume
0.55660E+00 ppm1
2.216
ppm2
7.208

ASSI {21352}

(segid “PROT” and resid 75 and name HE%)

(segid “PROT” and resid 78 and name HD1%)

3.500
3.100
2.000 peak
21352
weight
0.10000E+01 volume
0.57510E+00 ppm1
2.099
ppm2
0.091

ASSI {21362}

(segid “PROT” and resid 75 and name HE%)

(segid “PROT” and resid 21 and name HG2%)

3.500
3.100
2.000 peak
21362
weight
0.10000E+01 volume
0.58360E+00 ppm1
2.096
ppm2
1.033

ASSI {21372}

(segid “PROT” and resid 75 and name HE%)

((segid “PROT” and resid 110 and name HG12))

3.400
2.900
2.100 peak
21372
weight
0.10000E+01 volume
0.62060E+00 ppm1
2.096
ppm2
1.085

ASSI {21412}

(segid “PROT” and resid 75 and name HE%)

(segid “PROT” and resid 74 and name HD%)

3.700
3.400
1.800 peak
21412
weight
0.10000E+01 volume
0.41590E+00 ppm1
2.095
ppm2
6.444

ASSI {21452}

(segid “PROT” and resid 21 and name HG2%)

(segid “PROT” and resid 74 and name HD%)

3.400
2.900
2.100 peak
21452
weight
0.10000E+01 volume
0.69490E+00 ppm1
1.011
ppm2
6.431

ASSI {21502}

(segid “PROT” and resid 101 and name HG2%)

(segid “PROT” and resid 102 and name HD2%)

2.500
1.600
1.600 peak
21502
weight
0.10000E+01 volume
0.44117E+01 ppm1
1.031
ppm2
0.764

OR {21502)}

(segid “PROT” and resid 101 and name HG2%)

(segid “PROT” and resid 102 and name HD1%)

ASSI {21572}

(segid “PROT” and resid 116 and name HG2%)

((segid “PROT” and resid 117 and name HA))

3.400
2.900
2.100 peak
21572
weight
0.10000E+01 volume
0.69010E+00 ppm1
0.856
ppm2
4.600

ASSI {21612}

(segid “PROT” and resid 99 and name HB%)

((segid “PROT” and resid 33 and name HG2))

3.700
3.400
1.800 peak
21612
weight
0.10000E+01 volume
0.42110E+00 ppm1
1.661
ppm2
−0.880

ASSI {21642}

(segid “PROT” and resid 76 and name HB%)

((segid “PROT” and resid 72 and name HD1))

2.300
2.300
2.200 peak
21642
weight
0.10000E+01 volume
0.65500E+01 ppm1
1.523
ppm2
1.658

ASSI {21742}

(segid “PROT” and resid 99 and name HB%)

((segid “PROT” and resid 85 and name HA))

3.400
2.900
2.100 peak
21742
weight
0.10000E+01 volume
0.65540E+00 ppm1
1.659
ppm2
4.510

ASSI {21812}

(segid “PROT” and resid 110 and name HG2%)

(segid “PROT” and resid 113 and name HB%)

2.900
2.100
2.100 peak
21812
weight
0.10000E+01 volume
0.18327E+01 ppm1
0.692
ppm2
1.411

ASSI {21822}

(segid “PROT” and resid 69 and name HG2%)

((segid “PROT” and resid 14 and name HB1))

3.100
2.400
2.400 peak
21822
weight
0.10000E+01 volume
0.12228E+01 ppm1
0.861
ppm2
1.850

ASSI {21832}

(segid “PROT” and resid 69 and name HG2%)

((segid “PROT” and resid 68 and name HA))

3.400
2.900
2.100 peak
21832
weight
0.10000E+01 volume
0.62230E+00 ppm1
0.861
ppm2
4.575

ASSI {21872}

(segid “PROT” and resid 113 and name HB%)

(segid “PROT” and resid 110 and name HD1%)

3.000
2.200
2.200 peak
21872
weight
0.10000E+01 volume
0.12843E+01 ppm1
1.412
ppm2
0.572

ASSI {21902}

(segid “PROT” and resid 113 and name HB%)

((segid “PROT” and resid 17 and name HA))

3.000
2.200
2.200 peak
21902
weight
0.10000E+01 volume
0.13747E+01 ppm1
1.409
ppm2
3.966

ASSI {22082}

(segid “PROT” and resid 81 and name HG2%)

((segid “PROT” and resid 55 and name HB1))

3.600
3.200
1.900 peak
22082
weight
0.10000E+01 volume
0.43360E+00 ppm1
0.155
ppm2
2.405

ASSI {22182}

(segid “PROT” and resid 56 and name HD2%)

((segid “PROT” and resid 78 and name HA))

3.400
2.900
2.100 peak
22182
weight
0.10000E+01 volume
0.66210E+00 ppm1
0.675
ppm2
3.414

ASSI {22202}

(segid “PROT” and resid 56 and name HD2%)

(segid “PROT” and resid 34 and name HD%)

3.500
3.100
2.000 peak
22202
weight
0.10000E+01 volume
0.59280E+00 ppm1
0.675
ppm2
7.196

OR {22202}

(segid “PROT” and resid 56 and name HD2%)

(segid “PROT” and resid 34 and name HE%)

ASSI {22212}

(segid “PROT” and resid 25 and name HG1%)

(segid “PROT” and resid 82 and name HE%)

3.200
2.600
2.300 peak
22212
weight
0.10000E+01 volume
0.89620E+00 ppm1
1.241
ppm2
6.454

ASSI {22352}

(segid “PROT” and resid 22 and name HD2%)

(segid “PROT” and resid 74 and name HD%)

3.300
2.700
2.200 peak
22352
weight
0.10000E+01 volume
0.78330E+00 ppm1
1.052
ppm2
6.445

ASSI {22472}

(segid “PROT” and resid 102 and name HD2%)

((segid “PROT” and resid 31 and name HA))

2.600
1.700
1.700 peak
22472
weight
0.10000E+01 volume
0.31247E+01 ppm1
0.765
ppm2
4.437

ASSI {22502}

(segid “PROT” and resid 78 and name HD2%)

(segid “PROT” and resid 82 and name HD%)

3.300
2.700
2.200 peak
22502
weight
0.10000E+01 volume
0.80400E+00 ppm1
0.199
ppm2
6.702

ASSI {22602}

(segid “PROT” and resid 102 and name HD1%)

(segid “PROT” and resid 82 and name HD%)

3.500
3.100
2.000 peak
22602
weight
0.10000E+01 volume
0.58490E+00 ppm1
0.762
ppm2
6.676

ASSI {22622}

((segid “PROT” and resid 57 and name HG1))

((segid “PROT” and resid 57 and name HD2))

3.100
2.400
2.400 peak
22622
weight
0.10000E+01 volume
0.12324E+01 ppm1
1.569
ppm2
0.932

ASSI {22632}

((segid “PROT” and resid 111 and name HG1))

((segid “PROT” and resid 116 and name HG12))

3.200
2.600
2.300 peak
22632
weight
0.10000E+01 volume
0.10190E+01 ppm1
1.464
ppm2
0.938

ASSI {22672}

(segid “PROT” and resid 115 and name HD1%)

((segid “PROT” and resid 75 and name HG2))

3.200
2.600
2.300 peak
22672
weight
0.10000E+01 volume
0.10174E+01 ppm1
0.744
ppm2
2.225

ASSI {22782}

((segid “PROT” and resid 33 and name HG1))

(segid “PROT” and resid 95 and name HD%)

3.400
2.900
2.100 peak
22782
weight
0.10000E+01 volume
0.69740E+00 ppm1
0.267
ppm2
6.866

ASSI {22812}

(segid “PROT” and resid 73 and name HD1%)

((segid “PROT” and resid 69 and name HB))

3.100
2.400
2.400 peak
22812
weight
0.10000E+01 volume
0.12027E+01 ppm1
0.970
ppm2
2.351

ASSI {22872}

(segid “PROT” and resid 78 and name HD1%)

((segid “PROT” and resid 106 and name HA))

3.100
2.400
2.400 peak
22872
weight
0.10000E+01 volume
0.10589E+01 ppm1
0.094
ppm2
3.962

ASSI {22882}

(segid “PROT” and resid 78 and name HD1%)

((segid “PROT” and resid 22 and name HA))

3.300
2.700
2.200 peak
22882
weight
0.10000E+01 volume
0.75140E+00 ppm1
0.089
ppm2
4.153

ASSI {22922}

(segid “PROT” and resid 22 and name HD1%)

((segid “PROT” and resid 63 and name HB1))

3.000
2.200
2.200 peak
22922
weight
0.10000E+01 volume
0.14674E+01 ppm1
1.109
ppm2
2.349

ASSI {23192}

((segid “PROT” and resid 66 and name HG2))

((segid “PROT” and resid 69 and name HB))

3.500
3.100
2.000 peak
23192
weight
0.10000E+01 volume
0.59710E+00 ppm1
1.566
ppm2
2.327

ASSI {23212}

((segid “PROT” and resid 53 and name HG1))

(segid “PROT” and resid 46 and name HE%)

3.200
2.600
2.300 peak
23212
weight
0.10000E+01 volume
0.94430E+00 ppm1
2.282
ppm2
5.997

ASSI {23222}

((segid “PROT” and resid 53 and name HG2))

(segid “PROT” and resid 46 and name HE%)

3.200
2.600
2.300 peak
23222
weight
0.10000E+01 volume
0.88660E+00 ppm1
1.933
ppm2
5.988

ASSI {23392}

((segid “PROT” and resid 87 and name HB1))

(segid “PROT” and resid 83 and name HG2%)

3.400
2.900
2.100 peak
23392
weight
0.10000E+01 volume
0.68860E+00 ppm1
2.232
ppm2
1.344

ASSI {23482}

((segid “PROT” and resid 54 and name HB2))

((segid “PROT” and resid 80 and name HG1))

3.000
2.200
2.200 peak
23482
weight
0.10000E+01 volume
0.12929E+01 ppm1
1.385
ppm2
1.761

ASSI {23502}

((segid “PROT” and resid 86 and name HB1))

((segid “PROT” and resid 86 and name HG2))

3.000
2.200
2.200 peak
23502
weight
0.10000E+01 volume
0.14819E+01 ppm1
1.812
ppm2
0.171

ASSI {23522}

((segid “PROT” and resid 28 and name HB1))

((segid “PROT” and resid 32 and name HE3))

3.500
3.100
2.000 peak
23522
weight
0.10000E+01 volume
0.55110E+00 ppm1
3.026
ppm2
7.342

ASSI {23582}

((segid “PROT” and resid 19 and name HB2))

((segid “PROT” and resid 19 and name HE1))

3.300
2.700
2.200 peak
23582
weight
0.10000E+01 volume
0.79520E+00 ppm1
1.404
ppm2
2.976

ASSI {23592}

((segid “PROT” and resid 19 and name HB1))

((segid “PROT” and resid 19 and name HE1))

3.200
2.600
2.300 peak
23592
weight
0.10000E+01 volume
0.88430E+00 ppm1
1.738
ppm2
2.961

ASSI {23652}

((segid “PROT” and resid 38 and name HB))

(segid “PROT” and resid 50 and name HG2%)

3.400
2.900
2.100 peak
23652
weight
0.10000E+01 volume
0.65450E+00 ppm1
1.073
ppm2
0.414

ASSI {23752}

((segid “PROT” and resid 75 and name HB2))

(segid “PROT” and resid 115 and name HD1%)

3.500
3.100
2.000 peak
23752
weight
0.10000E+01 volume
0.54290E+00 ppm1
2.655
ppm2
0.763

OR {23752}

((segid “PROT” and resid 75 and name HB2))

(segid “PROT” and resid 115 and name HD2%)

ASSI {23762}

((segid “PROT” and resid 59 and name HG1))

((segid “PROT” and resid 62 and name HG1))

3.500
3.100
2.000 peak
23762
weight
0.10000E+01 volume
0.57320E+00 ppm1
2.654
ppm2
1.727

ASSI {23852}

((segid “PROT” and resid 49 and name HB))

((segid “PROT” and resid 46 and name HA))

3.400
2.900
2.100 peak
23852
weight
0.10000E+01 volume
0.63410E+00 ppm1
1.926
ppm2
3.509

ASSI {23872}

((segid “PROT” and resid 49 and name HB))

((segid “PROT” and resid 84 and name HB1))

3.400
2.900
2.100 peak
23872
weight
0.10000E+01 volume
0.68110E+00 ppm1
1.930
ppm2
3.009

ASSI {23912}

((segid “PROT” and resid 49 and name HB))

(segid “PROT” and resid 88 and name HD%)

3.300
2.700
2.200 peak
23912
weight
0.10000E+01 volume
0.79550E+00 ppm1
1.932
ppm2
6.968

ASSI {24042}

((segid “PROT” and resid 110 and name HB))

(segid “PROT” and resid 113 and name HB%)

3.200
2.600
2.300 peak
24042
weight
0.10000E+01 volume
0.99190E+00 ppm1
1.794
ppm2
1.406

ASSI {24092}

((segid “PROT” and resid 21 and name HB))

(segid “PROT” and resid 17 and name HG2%)

3.400
2.900
2.100 peak
24092
weight
0.10000E+01 volume
0.66400E+00 ppm1
1.950
ppm2
1.168

ASSI {24192}

((segid “PROT” and resid 101 and name HB))

(segid “PROT” and resid 102 and name HD1%)

3.500
3.100
2.000 peak
24192
weight
0.10000E+01 volume
0.56440E+00 ppm1
1.947
ppm2
0.778

OR {24192}

((segid “PROT” and resid 101 and name HB))

(segid “PROT” and resid 102 and name HD2%)

ASSI {24262}

((segid “PROT” and resid 18 and name HB2))

(segid “PROT” and resid 74 and name HE%)

3.400
2.900
2.100 peak
24262
weight
0.10000E+01 volume
0.67690E+00 ppm1
0.347
ppm2
6.978

ASSI {24492}

((segid “PROT” and resid 51 and name HD1))

((segid “PROT” and resid 80 and name HD1))

2.400
1.400
1.400 peak
24492
weight
0.10000E+01 volume
0.59941E+01 ppm1
3.020
ppm2
3.406

ASSI {24622}

((segid “PROT” and resid 43 and name HA))

((segid “PROT” and resid 42 and name HA))

3.400
2.900
2.100 peak
24622
weight
0.10000E+01 volume
0.67930E+00 ppm1
4.987
ppm2
4.480

ASSI {24632}

((segid “PROT” and resid 33 and name HD1))

((segid “PROT” and resid 32 and name HE3))

3.300
2.700
2.200 peak
24632
weight
0.10000E+01 volume
0.73690E+00 ppm1
2.265
ppm2
7.320

ASSI {24672}

((segid “PROT” and resid 8 and name HD2))

(segid “PROT” and resid 115 and name HD1%)

3.300
2.700
2.200 peak
24672
weight
0.10000E+01 volume
0.74890E+00 ppm1
3.713
ppm2
0.781

OR {24672}

((segid “PROT” and resid 8 and name HD2))

(segid “PROT” and resid 115 and name HD2%)

ASSI {24682}

((segid “PROT” and resid 89 and name HA))

((segid “PROT” and resid 90 and name HB2))

3.100
2.400
2.400 peak
24682
weight
0.10000E+01 volume
0.11403E+01 ppm1
5.093
ppm2
2.202

ASSI {24902}

((segid “PROT” and resid 34 and name HA))

(segid “PROT” and resid 102 and name HD1%)

3.400
2.900
2.100 peak
24902
weight
0.10000E+01 volume
0.62620E+00 ppm1
5.008
ppm2
0.773

ASSI {24942}

((segid “PROT” and resid 100 and name HA))

((segid “PROT” and resid 86 and name HE2))

3.100
2.400
2.400 peak
24942
weight
0.10000E+01 volume
0.12073E+01 ppm1
4.380
ppm2
2.466

OR {24942}

((segid “PROT” and resid 100 and name HA))

((segid “PROT” and resid 86 and name HE1))

AASI {24972}

((segid “PROT” and resid 39 and name HA))

((segid “PROT” and resid 39 and name HB2))

2.500
1.600
1.600 peak
24972
weight
0.10000E+01 volume
0.46002E+01 ppm1
4.444
ppm2
1.935

ASSI {25082}

((segid “PROT” and resid 77 and name HA))

(segid “PROT” and resid 59 and name HE%)

3.300
2.700
2.200 peak
25082
weight
0.10000E+01 volume
0.74310E+00 ppm1
4.400
ppm2
1.310

ASSI {25282}

((segid “PROT” and resid 26 and name HA))

(segid “PROT” and resid 25 and name HG2%)

2.900
2.100
2.100 peak
25282
weight
0.10000E+01 volume
0.18601E+01 ppm1
3.928
ppm2
1.068

ASSI {25372}

((segid “PROT” and resid 16 and name HB2))

((segid “PROT” and resid 19 and name HD1))

3.100
2.400
2.400 peak
25372
weight
0.10000E+01 volume
0.10814E+01 ppm1
3.953
ppm2
1.636

ASSI {25382}

((segid “PROT” and resid 46 and name HA))

(segid “PROT” and resid 38 and name HG2%)

3.600
3.200
1.900 peak
25382
weight
0.10000E+01 volume
0.49500E+00 ppm1
3.505
ppm2
−0.005

ASSI {25562}

((segid “PROT” and resid 38 and name HA))

((segid “PROT” and resid 39 and name HB2))

3.400
2.900
2.100 peak
25562
weight
0.10000E+01 volume
0.71250E+00 ppm1
3.491
ppm2
1.940

ASSI {25622}

((segid “PROT” and resid 21 and name HA))

(segid “PROT” and resid 17 and name HG2%)

3.400
2.900
2.100 peak
25622
weight
0.10000E+01 volume
0.65110E+00 ppm1
3.795
ppm2
1.169

ASSI {25702}

((segid “PROT” and resid 25 and name HA))

((segid “PROT” and resid 26 and name HB1))

3.500
3.100
2.000 peak
25702
weight
0.10000E+01 volume
0.52050E+00 ppm1
3.863
ppm2
1.890

ASSI {25732}

((segid “PROT” and resid 17 and name HB))

(segid “PROT” and resid 115 and name HD2%)

3.200
2.600
2.300 peak
25732
weight
0.10000E+01 volume
0.89690E+00 ppm1
4.292
ppm2
0.754

OR {25732}

((segid “PROT” and resid 17 and name HB))

(segid “PROT” and resid 115 and name HD1%)

ASSI {25822}

((segid “PROT” and resid 43 and name HA))

((segid “PEPT” and resid 204 and name HA))

3.400
2.900
2.100 peak
25822
weight
0.10000E+01 volume
0.68700E+00 ppm1
4.984
ppm2
4.392

ASSI {26032}

(segid “PROT” and resid 99 and name HB%)

(segid “PROT” and resid 96 and name HE%)

3.200
2.600
2.300 peak
26032
weight
0.10000E+01 volume
0.87540E+00 ppm1
1.670
ppm2
7.060

ASSI {26052}

((segid “PROT” and resid 113 and name HA))

(segid “PROT” and resid 21 and name HD1%)

3.500
3.100
2.000 peak
26052
weight
0.10000E+01 volume
0.52350E+00 ppm1
4.340
ppm2
0.652

ASSI {26212}

(segid “PROT” and resid 18 and name HD1%)

(segid “PROT” and resid 78 and name HD1%)

3.600
3.200
1.900 peak
26212
weight
0.10000E+01 volume
0.49240E+00 ppm1
0.517
ppm2
0.083

ASSI {26252}

((segid “PROT” and resid 94 and name HA))

((segid “PROT” and resid 93 and name HA))

3.100
2.400
2.400 peak
26252
weight
0.10000E+01 volume
0.11336E+01 ppm1
4.226
ppm2
4.535

ASSI {26402}

((segid “PROT” and resid 33 and name HD2))

(segid “PROT” and resid 34 and name HD%)

3.100
2.400
2.400 peak
26402
weight
0.10000E+01 volume
0.10972E+01 ppm1
1.563
ppm2
7.197

OR {26402}

((segid “PROT” and resid 33 and name HD2))

(segid “PROT” and resid 34 and name HE%)

ASSI {26472}

(segid “PROT” and resid 35 and name HE%)

((segid “PROT” and resid 34 and name HB2))

3.400
2.900
2.100 peak
26472
weight
0.10000E+01 volume
0.63450E+00 ppm1
2.211
ppm2
2.595

ASSI {26652}

((segid “PROT” and resid 18 and name HA))

((segid “PROT” and resid 22 and name HB1))

3.500
3.100
2.000 peak
26652
weight
0.10000E+01 volume
0.57230E+00 ppm1
3.303
ppm2
2.087

ASSI {26672}

((segid “PROT” and resid 6 and name HA))

((segid “PROT” and resid 117 and name HB1))

3.400
2.900
2.100 peak
26672
weight
0.10000E+01 volume
0.65680E+00 ppm1
4.374
ppm2
2.708

ASSI {26742}

((segid “PROT” and resid 80 and name HB2))

((segid “PROT” and resid 81 and name HA))

2.800
2.000
2.000 peak
26742
weight
0.10000E+01 volume
0.21410E+01 ppm1
1.935
ppm2
3.165

ASSI {26752}

((segid “PROT” and resid 75 and name HB2))

((segid “PROT” and resid 115 and name HB2))

3.500
3.100
2.000 peak
26752
weight
0.10000E+01 volume
0.53270E+00 ppm1
2.645
ppm2
1.628

ASSI {26782}

((segid “PROT” and resid 9 and name HD1))

((segid “PROT” and resid 8 and name HD2))

3.100
2.400
2.400 peak
26782
weight
0.10000E+01 volume
0.11437E+01 ppm1
3.215
ppm2
3.740

ASSI {3}

((segid “PEPT” and resid 205 and name HZ))

(segid “PROT” and resid 38 and name HG1%)

2.700
1.800
1.800 peak
3
weight
0.10000E+01 volume
0.10950E+02 ppm1
7.879
ppm2
0.468

ASSI {13}

((segid “PEPT” and resid 205 and name HZ)

(segid “PROT” and resid 38 and name HG2%)

3.400
2.900
2.100 peak
13
weight
0.10000E+01 volume
0.28090E+01 ppm1
7.879
ppm2
−0.020

ASSI {23}

((segid “PEPT” and resid 205 and name HZ))

((segid “PROT” and resid 38 and name HB))

3.000
2.200
2.200 peak
23
weight
0.10000E+01 volume
0.54143E+01 ppm1
7.877
ppm2
1.049

ASSI {143}

((segid “PEPT” and resid 203 and name HN))

((segid “PEPT” and resid 203 and name HA1))

3.700
3.400
1.800 peak
143
weight
0.10000E+01 volume
0.16378E+01 ppm1
8.295
ppm2
3.918

ASSI {163}

(segid “PEPT” and resid 202 and name HE%)

(segid “PROT” and resid 49 and name HG2%)

3.100
2.400
2.400 peak
163
weight
0.10000E+01 volume
0.48713E+01 ppm1
6.846
ppm2
0.927

ASSI {183}

((segid “PEPT” and resid 204 and name HN))

((segid “PEPT” and resid 204 and name HA))

3.300
2.700
2.200 peak
183
weight
0.10000E+01 volume
0.33794E+01 ppm1
8.095
ppm2
4.418

ASSI {193}

((segid “PEPT” and resid 204 and name HN))

((segid “PEPT” and resid 203 and name HA1))

3.000
2.200
2.200 peak
193
weight
0.10000E+01 volume
0.60320E+01 ppm1
8.095
ppm2
3.921

ASSI {213}

((segid “PEPT” and resid 204 and name HN))

((segid “PEPT” and resid 204 and name HB1))

3.200
2.600
2.300 peak
213
weight
0.10000E+01 volume
0.40313E+01 ppm1
8.095
ppm2
1.862

ASSI {223}

((segid “PEPT” and resid 204 and name HN))

((segid “PEPT” and resid 204 and name HB2))

3.100
2.400
2.400 peak
223
weight
0.10000E+01 volume
0.46608E+01 ppm1
8.094
ppm2
1.775

ASSI {233}

((segid “PEPT” and resid 204 and name HN))

((segid “PEPT” and resid 204 and name HG1))

3.100
2.400
2.400 peak
233
weight
0.10000E+01 volume
0.42672E+01 ppm1
8.094
ppm2
1.644

ASSI {243}

((segid “PEPT” and resid 209 and name HE21))

((segid “PEPT” and resid 209 and name HE22))

2.000
1.000
1.000 peak
243
weight
0.10000E+01 volume
0.62472E+02 ppm1
7.537
ppm2
6.862

ASSI {253}

((segid “PEPT” and resid 205 and name HZ))

((segid “PEPT” and resid 205 and name HE1))

2.300
1.300
1.300 peak
253
weight
0.10000E+01 volume
0.24517E+02 ppm1
7.880
ppm2
3.072

ASSI {273}

((segid “PEPT” and resid 205 and name HZ))

((segid “PEPT” and resid 205 and name HD1))

2.700
1.800
1.800 peak
273
weight
0.10000E+01 volume
0.10758E+02 ppm1
7.878
ppm2
1.415

ASSI {283}

((segid “PEPT” and resid 208 and name HN))

((segid “PEPT” and resid 207 and name HA))

2.700
1.800
1.800 peak
283
weight
0.10000E+01 volume
0.10151E+02 ppm1
8.545
ppm2
4.296

ASSI {293}

((segid “PEPT” and resid 208 and name HN))

((segid “PEPT” and resid 208 and name HB1))

2.900
2.100
2.100 peak
293
weight
0.10000E+01 volume
0.75665E+01 ppm1
8.544
ppm2
1.791

ASSI {303}

((segid “PEPT” and resid 208 and name HN))

((segid “PEPT” and resid 208 and name HG1))

3.300
2.700
2.200 peak
303
weight
0.10000E+01 volume
0.32720E+01 ppm1
8.544
ppm2
1.613

ASSI {313}

((segid “PEPT” and resid 209 and name HN))

((segid “PEPT” and resid 208 and name HA))

2.600
1.700
1.700 peak
313
weight
0.10000E+01 volume
0.14079E+02 ppm1
8.499
ppm2
4.310

ASSI {323}

((segid “PEPT” and resid 209 and name HN))

((segid “PEPT” and resid 208 and name HB1))

2.700
1.800
1.800 peak
323
weight
0.10000E+01 volume
0.10348E+02 ppm1
8.498
ppm2
1.776

ASSI {333}

((segid “PEPT” and resid 207 and name HN))

((segid “PEPT” and resid 207 and name HA))

2.500
1.600
1.600 peak
333
weight
0.10000E+01 volume
0.15139E+02 ppm1
8.450
ppm2
4.330

ASSI {343}

((segid “PEPT” and resid 207 and name HN))

((segid “PEPT” and resid 207 and name HB1))

2.600
1.700
1.700 peak
343
weight
0.10000E+01 volume
0.12386E+02 ppm1
8.450
ppm2
1.805

ASSI {353}

((segid “PEPT” and resid 207 and name HN))

((segid “PEPT” and resid 206 and name HG1))

3.300
2.700
2.200 peak
353
weight
0.10000E+01 volume
0.29440E+01 ppm1
8.451
ppm2
1.440

ASSI {363}

((segid “PEPT” and resid 205 and name HZ))

(segid “PEPT” and resid 205 and name HH%)

2.100
1.100
1.100 peak
363
weight
0.10000E+01 volume
0.50754E+02 ppm1
7.876
ppm2
1.872

ASSI {373}

((segid “PEPT” and resid 205 and name HZ))

((segid “PEPT” and resid 204 and name HN))

3.200
2.600
2.300 peak
373
weight
0.10000E+01 volume
0.40017E+01 ppm1
7.881
ppm2
8.105

ASSI {144}

(sagid “PEPT” and resid 202 and name HD%)

((segid “PEPT” and resid 202 and name HB2))

2.700
1.800
1.800 peak
144
weight
0.10000E+01 volume
0.25326E+01 ppm1
7.133
ppm2
2.913

ASSI {154}

(segid “PEPT” and resid 202 and name HD%)

((segid “PEPT” and resid 202 and name HB1))

2.700
1.800
1.800 peak
154
weight
0.10000E+01 volume
0.25762E+01 ppm1
7.134
ppm2
3.130

ASSI {164}

(segid “PEPT” and resid 202 and name HD%)

((segid “PEPT” and resid 202 and name HA))

2.700
1.800
1.800 peak
164
weight
0.10000E+01 volume
0.25087E+01 ppm1
7.134
ppm2
4.622

ASSI {184}

((segid “PEPT” and resid 205 and name HZ))

((segid “PEPT” and resid 205 and name HG1))

2.900
2.100
2.100 peak
184
weight
0.10000E+01 volume
0.14841E+01 ppm1
7.882
ppm2
1.321

ASSI {194}

(segid “PROT” and resid 88 and name HD%)

((segid “PEPT” and resid 202 and name HB2))

3.800
3.600
1.700 peak
194
weight
0.10000E+01 volume
0.29670E+00 ppm1
7.008
ppm2
2.919

ASSI {214}

((segid “PROT” and resid 89 and name HD22))

((segid “PEPT” and resid 205 and name HE1))

3.400
2.900
2.100 peak
214
weight
0.10000E+01 volume
0.58630E+00 ppm1
7.822
ppm2
3.090

ASSI {264}

((segid “PEPT” and resid 209 and name HN))

((segid “PEPT” and resid 209 and name HB2))

3.500
3.100
2.000 peak
264
weight
0.10000E+01 volume
0.47310E+00 ppm1
8.499
ppm2
1.974

ASSI {5}

(segid “PEPT” and resid 202 and name HD%)

(segid “PROT” and resid 49 and name HG1%)

2.900
2.100
2.100 peak
5
weight
0.11000E+02 volume
0.17073E+01 ppm1
7.134
ppm2
0.978

ASSI {95}

((segid “PEPT” and resid 202 and name HB2))

(segid “PROT” and resid 49 and name HG1%)

3.300
2.700
2.200 peak
95
weight
0.11000E+02 volume
0.87280E+00 ppm1
2.894
ppm2
0.977

ASSI {125}

((segid “PEPT” and resid 206 and name HG1))

(segid “PROT” and resid 43 and name HB%)

3.200
2.600
2.300 peak
125
weight
0.10000E+01 volume
0.10680E+01 ppm1
1.462
ppm2
1.047

ASSI {135}

((sagid “PEPT” and resid 204 and name HB2))

(segid “PROT” and resid 43 and name HB%)

3.100
2.400
2.400 peak
135
weight
0.10000E+01 volume
0.11770E+01 ppm1
1.778
ppm2
1.036

ASSI {145}

((sagid “PEPT” and resid 205 and name HE1))

(segid “PROT” and resid 38 and name HG1%)

3.300
2.700
2.200 peak
145
weight
0.10000E+01 volume
0.89880E+00 ppm1
3.068
ppm2
0.458

ASSI {155}

(segid “PEPT” and resid 205 and name HH%)

(segid “PROT” and resid 38 and name HG1%)

2.200
1.200
1.200 peak
155
weight
0.10000E+01 volume
0.87158E+01 ppm1
1.893
ppm2
0.463

ASSI {165}

(segid “PEPT” and resid 205 and name HH%)

((segid “PROT” and resid 38 and name HA))

3.200
2.600
2.300 peak
165
weight
0.10000E+01 volume
0.10856E+01 ppm1
1.890
ppm2
3.506

ASSI {195}

((segid “PEPT” and resid 208 and name HB1))

((segid “PROT” and resid 42 and name HG1))

3.200
2.600
2.300 peak
195
weight
0.10000E+01 volume
0.96050E+00 ppm1
1.781
ppm2
2.325

ASSI {205}

((segid “PEPT” and resid 209 and name HB1))

((segid “PROT” and resid 42 and name HG1))

3.100
2.400
2.400 peak
205
weight
0.10000E+01 volume
0.11438E+01 ppm1
2.109
ppm2
2.322

ASSI {215}

((segid “PEPT” and resid 209 and name HG1))

((segid “PROT” and resid 42 and name HG2))

3.500
3.100
2.000 peak
215
weight
0.10000E+01 volume
0.54870E+00 ppm1
2.343
ppm2
2.245

ASSI {255}

((segid “PEPT” and resid 208 and name HA))

((segid “PROT” and resid 42 and name HG1))

2.900
2.100
2.100 peak
255
weight
0.10000E+01 volume
0.16895E+01 ppm1
4.326
ppm2
2.322

ASSI {275}

((segid “PEPT” and resid 209 and name HE22))

((segid “PROT” and resid 42 and name HG2))

3.500
3.100
2.000 peak
275
weight
0.10000E+01 volume
0.56640E+00 ppm1
6.869
ppm2
2.323

ASSI {375}

((segid “PEPT” and resid 208 and name HA))

((segid “PROT” and resid 42 and name HB1))

3.100
2.400
2.400 peak
375
weight
0.10000E+01 volume
0.12561E+01 ppm1
4.319
ppm2
2.168

ASSI {405}

((segid “PEPT” and resid 208 and name HA))

((segid “PROT” and resid 42 and name HB2))

3.200
2.600
2.300 peak
405
weight
0.10000E+01 volume
0.10728E+01 ppm1
4.319
ppm2
2.075

ASSI {425}

((segid “PEPT” and resid 209 and name HE22))

((segid “PROT” and resid 42 and name HB2))

3.200
2.600
2.300 peak
425
weight
0.10000E+01 volume
0.10307E+01 ppm1
6.870
ppm2
2.072

ASSI {445}

(segid “PEPT” and resid 205 and name HH%)

((segid “PROT” and resid 33 and name HB2))

3.300
2.700
2.200 peak
445
weight
0.10000E+01 volume
0.84810E+00 ppm1
1.886
ppm2
−0.445

ASSI {525}

(segid “PEPT” and resid 205 and name HH%)

(segid “PROT” and resid 81 and name HG1%)

2.300
2.300
2.200 peak
525
weight
0.10000E+01 volume
0.81157E+01 ppm1
1.885
ppm2
0.496

ASSI {535}

((segid “PEPT” and resid 203 and name HN))

(segid “PROT” and resid 50 and name HD1%)

3.600
3.200
1.900 peak
535
weight
0.10000E+01 volume
0.45510E+00 ppm1
8.245
ppm2
0.597

ASSI {245}

((segid “PROT” and resid 42 and name HG2))

((segid “PROT” and resid 41 and name HA))

3.200
2.600
2.300 peak
245
weight
0.10000E+01 volume
0.95560E+00 ppm1
2.323
ppm2
4.076

OR {245}

((segid “PROT” and resid 42 and name HG1))

((segid “PROT” and resid 41 and name HA))

ASSI {265}

((segid “PROT” and resid 42 and name HG2))

((segid “PROT” and resid 42 and name HA))

3.300
2.700
2.200 peak
265
weight
0.10000E+01 volume
0.85890E+00 ppm1
2.339
ppm2
4.484

OR {265}

((segid “PROT” and resid 42 and name HG1))

((segid “PROT” and resid 42 and name HA))

ASSI {465}

((segid “PROT” and resid 33 and name HB2))

((segid “PROT” and resid 95 and name HA))

3.500
3.100
2.000 peak
465
weight
0.10000E+01 volume
0.59690E+00 ppm1
−0.448
ppm2
3.636

ASSI {6}

((segid “PEPT” and resid 205 and name HB1))

(segid “PROT” and resid 95 and name HE%)

2.900
2.100
2.100 peak
6
weight
0.11000E+02 volume
0.20642E+01 ppm1
1.768
ppm2
7.010

ASSI {16}

((segid “PEPT” and resid 205 and name HB1))

(segid “PROT” and resid 88 and name HE%)

3.200
2.600
2.300 peak
16
weight
0.11000E+02 volume
0.12360E+01 ppm1
1.782
ppm2
6.634

ASSI {26}

((segid “PEPT” and resid 205 and name HD1))

(segid “PROT” and resid 88 and name HE%)

3.000
2.200
2.200 peak
26
weight
0.11000E+02 volume
0.18014E+01 ppm1
1.431
ppm2
6.631

ASSI {36}

((segid “PEPT” and resid 205 and name HG1))

(segid “PROT” and resid 88 and name HE%)

3.100
2.400
2.400 peak
36
weight
0.11000E+02 volume
0.15181E+01 ppm1
1.327
ppm2
6.632

ASSI {46}

((segid “PEPT” and resid 202 and name HB1))

(segid “PROT” and resid 88 and name HE%)

3.200
2.600
2.300 peak
46
weight
0.11000E+02 volume
0.11426E+01 ppm1
3.114
ppm2
6.636

ASSI {56}

((segid “PEPT” and resid 205 and name HD1))

(segid “PROT” and resid 95 and name HE%)

3.500
3.100
2.000 peak
56
weight
0.11000E+02 volume
0.77060E+00 ppm1
1.430
ppm2
7.010

ASSI {66}

((segid “PEPT” and resid 205 and name HG1))

(segid “PROT” and resid 95 and name HE%)

3.600
3.200
1.900 peak
66
weight
0.11000E+02 volume
0.58800E+00 ppm1
1.320
ppm2
7.010

ASSI {76}

((segid “PEPT” and resid 205 and name HG2))

(segid “PROT” and resid 95 and name HE%)

3.700
3.400
1.800 peak
76
weight
0.11000E+02 volume
0.50830E+00 ppm1
1.160
ppm2
7.015

ASSI {86}

(segid “PEPT” and resid 205 and name HH%)

(segid “PROT” and resid 95 and name HE%)

3.200
2.600
2.300 peak
86
weight
0.11000E+02 volume
0.11871E+01 ppm1
1.914
ppm2
7.010

ASSI {96}

((segid “PEPT” and resid 205 and name HE1))

(segid “PROT” and resid 95 and name HE%)

3.500
3.100
2.000 peak
96
weight
0.11000E+02 volume
0.68560E+00 ppm1
3.113
ppm2
7.019

ASSI {106}

((segid “PEPT” and resid 205 and name HA))

(segid “PROT” and resid 95 and name HE%)

3.400
2.900
2.100 peak
106
weight
0.11000E+02 volume
0.80400E+00 ppm1
4.325
ppm2
7.010

ASSI {116}

((segid “PEPT” and resid 202 and name HB1))

(segid “PROT” and resid 88 and name HD%)

3.200
2.600
2.300 peak
116
weight
0.11000E+02 volume
0.12205E+01 ppm1
3.122
ppm2
6.962

ASSI {136}

((segid “PEPT” and resid 205 and name HD1))

(segid “PROT” and resid 88 and name HD%)

3.600
3.200
1.900 peak
136
weight
0.11000E+02 volume
0.60120E+00 ppm1
1.436
ppm2
6.961

ASSI {146}

((segid “PEPT” and resid 205 and name HG1))

(segid “PROT” and resid 88 and name HD%)

3.600
3.200
1.900 peak
146
weight
0.11000E+02 volume
0.61310E+00 ppm1
1.326
ppm2
6.959

ASSI {156}

(segid “PEPT” and resid 205 and name HH%)

(segid “PROT” and resid 95 and name HD%)

2.900
2.100
2.100 peak
156
weight
0.11000E+02 volume
0.20765E+01 ppm1
1.930
ppm2
6.845

ASSI {126}

(segid “PROT” and resid 88 and name HD%)

((segid “PROT” and resid 88 and name HB1))

3.600
3.200
1.900 peak
126
weight
0.10000E+01 volume
0.59050E+00 ppm1
6.959
ppm2
2.946

OR {126}

(segid “PROT” and resid 88 and name HD%)

((segid “PROT” and resid 88 and name HB2))

TABLE 14

Ambiguous NOE Distance Restraints

ASSI {1101}

((segid “PROT” and resid 102 and name HN))

((segid “PROT” and resid 31 and name HB %)

3.500
3.100
2.000 peak
1101 weight
0.10000E + 01 volume
0.13797E + 01 ppm1
8.519 ppm2
1.706

OR {1101}

((segid “PROT” and resid 102 and name HN))

((segid “PROT” and resid 104 and name HD1))

ASSI {1211}

((segid “PROT” and resid 103 and name HN))

((segid “PROT” and resid 104 and name HA))

3.200
2.600
2.300 peak
1211 weight
0.10000E + 01 volume
0.23779E + 01 ppm1
8.042 ppm2
4.062

OR {1211}

((segid “PROT” and resid 46 and name HN))

((segid “PROT” and resid 48 and name HA))

ASSI {1311}

((segid “PROT” and resid 103 and name HN))

((segid “PROT” and resid 98 and name HA))

3.200
2.600
2.300 peak
1311 weight
0.10000E + 01 volume
0.24662E + 01 ppm1
8.037 ppm2
4.220

OR {1311}

((segid “PROT” and resid 103 and name HN100))

((segid “PROT” and resid 82 and name HA))

ASSI {2161}

((segid “PROT” and resid 112 and name HN))

(segid “PROT” and resid 115 and name HD 2%)

3.400
2.900
2.100 peak
2161 weight
0.10000E + 01 volume
0.15055E + 01 ppm1
8.097 ppm2
0.824

OR {2161}

((segid “PROT” and resid 112 and name HN))

((segid “PROT” and resid 109 and name HG1))

OR {2161}

((segid “PROT” and resid 112 and name HN))

(segid “PROT” and resid 116 and name HD 2%)

OR {2161}

((segid “PROT” and resid 112 and name HN))

(segid “PROT” and resid 116 and name HD 1%)

ASSI {2501}

(segid “PROT” and resid 106 and name HN))

((segid “PROT” and resid 102 and name HG))

3.600
3.200
1.900 peak
2501 weight
0.10000E + 01 volume
0.11395E + 01 ppm1
9.149 ppm2
1.562

OR {2501}

((segid “PROT” and resid 106 and name HN))

((segid “PROT” and resid 109 and name HB2))

OR {2501}

((segid “PROT” and resid 106 and name HN))

((segid “PROT” and resid 104 and name HG1))

ASSI {2711}

((segid “PROT” and resid 17 and name HN))

(segid “PROT” and resid 18 and name HD 1%)

3.300
2.700
2.200 peak
2711 weight
0.10000E + 01 volume
0.19671E + 01 ppm1
8.065 ppm2
0.730

OR {2711}

((segid “PROT” and resid 17 and name HN))

(segid “PROT” and resid 115 and name HD 1%)

ASSI {2731}

((segid “PROT” and resid 40 and name HN))

((segid “PROT” and resid 39 and name HE1))

2.700
1.800
1.800 peak
2731 weight
0.10000E + 01 volume
0.59635E + 01 ppm1
8.059 ppm2
3.194

OR {2731}

((segid “PROT” and resid 17 and name HN))

((segid “PROT” and rapid 15 and name HB1))

ASSI {2771}

((segid “PROT” and resid 17 and name HN))

((segid “PROT” and resid 15 and name HB1))

3.200
2.600
2.300 peak
2771 weight
0.10000E + 01 volume
0.21928E + 01 ppm1
8.060 ppm2
1.555

OR {2771}

((segid “PROT” and resid 17 and name HN))

((segid “PROT” and resid 14 and name HB2))

ASSI {4121}

((segid “PROT” and resid 76 and name HN))

((segid “PROT” and resid 79 and name HB2))

3.200
2.600
2.300 peak
4121 weight
0 10000E + 01 volume
0.21825E + 01 ppm1
7.368 ppm2
2.089

OR {4121}

((segid “PROT” and resid 78 and name HN))

(segid “PROT” and resid 75 and name HE %)

OR {4121}

((segid “PROT” and resid 96 and name HN))

((segid “PROT” and resid 97 and name HB1))

OR {4121}

((segid “PROT” and resid 77 and name HN))

((segid “PROT” and resid 79 and name HB2))

OR {4121}

((segid “PROT” and resid 78 and name HN))

((segid “PROT” and resid 54 and name HB1))

OR {4121}

((segid “PROT” and resid 77 and name HN))

((segid “PROT” and resid 54 and name HB1))

ASSI {4331}

((segid “PROT” and resid 79 and name HN))

((segid “PROT” and resid 81 and name HB))

3.300
2.700
2.200 peak
4331 weight
0.10000E + 01 volume
0.21033E + 01 ppm1
7.382 ppm2
1.417

OR {4331}

((segid “PROT” and resid 77 and name HN))

((segid “PROT” and resid 81 and name HB))

ASSI {4731}

((segid “PROT” and resid 15 and name HN))

((segid “PROT” and resid 16 and name HB2))

3.300
2.700
2.200 peak
4731 weight
0.10000E + 01 volume
0.19906E + 01 ppm1
7.992 ppm2
3.907

OR {4731}

((segid “PROT” and resid 15 and name HN))

((segid “PROT” and resid 17 and name HA))

OR {4731}

((segid “PROT” and resid 15 and name HN))

((segid “PROT” and resid 11 and name HD1))

ASSI {6431}

((segid “PROT” and resid 113 and name HN))

((segid “PROT” and resid 111 and name HG2))

3.200
2.600
2.300 peak
6431 weight
0.10000E + 01 volume
0.23779E + 01 ppm1
7.627 ppm2
1.290

OR {6431}

((segid “PROT” and resid 113 and name HN))

((segid “PROT” and resid 116 and name HG11))

ASSI {6531}

((segid “PROT” and resid 104 and name HN))

((segid “PROT” and resid 102 and name HB1))

3.500
3.100
2.000 peak
6531 weight
0.10000E + 01 volume
0.12949E + 01 ppm1
7.168 ppm2
1.396

OR {6531}

((segid “PROT” and resid 35 and name HN))

((segid “PROT” and resid 56 and name HB2))

ASSI {6731}

((segid “PROT” and resid 35 and name HN))

(segid “PROT” and resid 56 and name HD 1%)

3.400
2.900
2.100 peak
6731 weight
0.10000E + 01 volume
0.15507E + 01 ppm1
7.148 ppm2
0.971

OR {6731}

((segid “PROT” and resid 104 and name HN))

(segid “PROT” and resid 101 and name HG 2%)

ASSI {7671}

((segid “PROT” and resid 62 and name HN))

(segid “PROT” and resid 63 and name HG 2%)

3.200
2.600
2.300 peak
7671 weight
0.10000E + 01 volume
0.24316E + 01 ppm1
6.396 ppm2
1.323

OR {7671}

((segid “PROT” and resid 82 and name HN))

((segid “PROT” and resid 54 and name HB2))

OR {7671}

((segid “PROT” and resid 62 and name HN))

((segid “PROT” and resid 103 and name HB2))

ASSI {7851}

((segid “PROT” and resid 96 and name HN))

((segid “PROT” and resid 30 and name HB1))

3.400
2.900
2.100 peak
7851 weight
0.10000E + 01 volume
0.15319E + 01 ppm1
8.470 ppm2
4.315

OR {7851}

((segid “PROT” and resid 98 and name HN))

((segid “PROT” and resid 100 and name HA))

ASSI {8591}

((segid “PROT” and resid 95 and name HN))

((segid “PROT” and resid 97 and name HG1))

3.300
2.700
2.200 peak
8591 weight
0.10000E + 01 volume
0.18918E + 01 ppm1
7.964 ppm2
1.794

OR {8591}

((segid “PROT” and resid 65 and name HN))

((segid “PROT” and resid 64 and name HD1))

OR {8591}

((segid “PROT” and resid 60 and name HN))

((segid “PROT” and resid 22 and name HG))

ASSI {8701}

((segid “PROT” and resid 56 and name HN))

(segid “PROT” and resid 25 and name HG 2%)

3.400
2.900
2.100 peak
8701 weight
0.10000E + 01 volume
0.15401E + 01 ppm1
9.133 ppm2
1.035

OR {8701}

((segid “PROT” and resid 56 and name HN))

(segid “PROT” and resid 22 and name HD 2%)

ASSI {11861}

((segid “PROT” and resid 24 and name HE22))

((segid “PROT” and resid 24 and name HG2))

3.700
3.400
1.600 peak
11861 weight
0.10000E + 01 volume
0.91710E + 00 ppm1
6.901 ppm2
2.481

OR {11861}

((segid “PROT” and resid 24 and name HE22))

((segid “PROT” and resid 109 and name HE2))

ASSI {12111}

((segid “PROT” and resid 68 and name HN))

((segid “PROT” and resid 66 and name HG1))

3.800
3.600
1.700 peak
12111 weight
0.10000E + 01 volume
0.85210E + 00 ppm1
8.011 ppm2
1.643

OR {12111}

((segid “PROT” and resid 68 and name HN))

((segid “PROT” and resid 18 and name HG))

ASSI {12191}

((segid “PROT” and resid 68 and name HN))

((segid “PEPT” and resid 203 and name HA1))

3.700
3.400
1.800 peak
12191 weight
0.10000E + 01 volume
0 10424E + 01 ppm1
8.114 ppm2
3.902

OR {12191}

((segid “PROT” and resid 89 and name HN))

((segid “PROT” and resid 83 and name HA))

OR {12191}

((segid “PROT” and resid 69 and name HN))

((segid “PROT” and resid 50 and name HA))

ASSI {12361}

((segid “PROT” and resid 69 and name HN))

((segid “PROT” and resid 70 and name HB1))

3.700
3.400
1.800 peak
12361 weight
0.10000E + 01 volume
0.10231E + 01 ppm1
7.707 ppm2
4.230

OR {12361}

((segid “PROT” and resid 69 and name HN))

((segid “PROT” and resid 73 and name HA))

ASSI {12371}

((segid “PROT” and resid 69 and name HN))

(segid “PROT” and resid 63 and name HD 2%)

3.500
3.100
2.000 peak
12371 weight
0.10000E + 01 volume
0.14140E + 01 ppm1
7.709 ppm2
1.055

OR {12371}

((segid “PROT” and resid 69 and name HN))

((segid “PROT” and resid 62 and name HB2))

ASSI {12571}

((segid “PROT” and resid 110 and name HN))

(segid “PROT” and resid 75 and name HE %)

3.600
3.200
1.900 peak
12571 weight
0.10000E + 01 volume
0.12095E + 01 ppm1
8.119 ppm2
2.066

OR {12571}

((segid “PROT” and resid 110 and name HN))

((segid “PROT” and resid 112 and name HB1))

ASSI {12731}

((segid “PROT” and resid 107 and name HN))

((segid “PROT” and resid 111 and name HB2))

3.700
3.400
1.800 peak
12731 weight
0.10000E + 01 volume
0.10305E + 01 ppm1
8.400 ppm2
1.726

OR {13731}

((segid “PROT” and resid 107 and name HN))

((segid “PROT” and resid 104 and name HD1))

OR {12731}

((segid “PROT” and resid 107 and name HN))

((segid “PROT” and resid 109 and name HB1))

ASSI {12741}

((segid “PROT” and resid 107 and name HN))

((segid “PROT” and resid 109 and name HG1))

3.700
3.400
1.800 peak
12741 weight
0.10000E + 01 volume
0.94540E + 00 ppm1
8.398 ppm2
0.803

OR {12741}

((segid “PROT” and resid 107 and name HN))

(segid “PROT” and resid 116 and name HD 1%)

ASSI {12761}

((segid “PROT” and resid 19 and name HN))

((segid “PROT” and resid 19 and name HE1))

3.700
3.400
1.800 peak
12761 weight
0 10000E + 01 volume
0.95080E + 00 ppm1
8.574 ppm2
2.934

OR {12761}

((segid “PROT” and resid 19 and name HN))

((segid “PROT” and resid 68 and name HB2))

ASSI {12961}

((segid “PROT” and resid 76 and name HN))

(segid “PROT” and resid 74 and name HD %)

3.600
3.600
1.700 peak
12961 weight
0.10000E + 01 volume
0.65250E + 00 ppm1
7.386 ppm2
6.387

OR {12961}

((segid “PROT” and resid 77 and name HN))

(segid “PROT” and resid 74 and name HD %)

ASSI {13011}

((segid “PROT” and resid 25 and name HN))

(segid “PROT” and resid 31 and name HB %)

3.600
3.200
1.900 peak
13011 weight
0.10000E + 01 volume
0.11117E + 01 ppm1
8.563 ppm2
1.722

OR {13011}

((segid “PROT” and resid 29 and name HN))

((segid “PROT” and resid 22 and name HB2))

ASSI {13031}

((segid “PROT” and resid 101 and name HN))

((segid “PROT” and resid 104 and name HN))

3.700
3.400
1.800 peak
13031 weight
0.10000E + 01 volume
0.10135E + 01 ppm1
8.016 ppm2
7.190

OR {13031}

((segid “PROT” and resid 101 and name HN))

(segid “PROT” and resid 34 and name HE %)

ASSI {13101}

((segid “PROT” and resid 22 and name HN))

((segid “PROT” and resid 23 and name HB1))

3.800
3.600
1.700 peak
13101 weight
0.10000E + 01 volume
0.88170E + 00 ppm1
8.853 ppm2
2.327

OR {13101}

((segid “PROT” and resid 22 and name HN)

((segid “PROT” and resid 63 and name HB1))

ASSI {13211}

((segid “PROT” and resid 62 and name HN))

((segid “PROT” and resid 67 and name HB1))

3.600
3.200
1.900 peak
13211 weight
0.10000E + 01 volume
0.10881E + 01 ppm1
8.378 ppm2
2.990

OR {13211}

((segid “PROT” and resid 62 and name HN))

((segid “PROT” and resid 65 and name HB1))

OR {13211}

((segid “PROT” and resid 62 and name HN))

((segid “PROT” and resid 64 and name HE1))

ASSI {13271}

((segid “PROT” and resid 18 and name HN))

((segid “PROT” and resid 19 and name HB2))

3.400
2.900
2.100 peak
13271 weight
0.10000E + 01 volume
0.16318E + 01 ppm1
8.476 ppm2
1.409

OR {13271}

((segid “PROT” and resid 18 and name HN))

(segid “PROT” and resid 113 and name HB %)

ASSI {13881}

((segid “PROT” and resid 77 and name HN))

((segid “PROT” and resid 80 and name HB2))

3.600
3.200
1.900 peak
13881 weight
0.10000E + 01 volume
0.12199E + 01 ppm1
7.383 ppm2
1.915

OR {13881}

((segid “PROT” and resid 78 and name HN))

((segid “PROT” and resid 80 and name HB2))

OR {13881}

((segid “PROT” and resid 77 and name HN))

((segid “PROT” and resid 54 and name HG2))

OR {13881}

((segid “PROT” and resid 77 and name HN))

((segid “PROT” and resid 73 and name HB2))

OR {13881}

((segid “PROT” and resid 78 and name HN))

((segid “PROT” and resid 59 and name HB2))

OR {13881}

((segid “PROT” and resid 78 and name HN))

((segid “PROT” and resid 54 and name HG2))

ASSI {13971}

((segid “PROT” and resid 85 and name HN))

((segid “PROT” and resid 80 and name HA))

3.700
3.400
1.800 peak
13971 weight
0.10000E + 01 volume
0.93300E + 00 ppm1
6.905 ppm2
4.080

OR {13971}

((segid “PROT” and resid 85 and name HN))

((segid “PROT” and resid 53 and name HA))

ASSI {4172}

((segid “PROT” and resid 84 and name HE1))

((segid “PROT” and resid 61 and name HG2))

2.800
2.000
2.000 peak
4172 weight
0.10000E + 01 volume
0.22580E + 01 ppm1
3.048 ppm2
2.282

OR {4172}

((segid “PROT” and resid 97 and name HE1))

((segid “PROT” and resid 94 and name HG1))

OR {4172}

((segid “PROT” and resid 64 and name HE1))

((segid “PROT” and resid 61 and name HB1))

ASSI {4232}

((segid “PROT” and resid 19 and name HE1))

(segid “PROT” and resid 63 and name HD 2%)

2.900
2.100
2.100 peak
4232 weight
0.10000E + 01 volume
0.16659E + 01 ppm1
3.002 ppm2
1.094

OR {4232}

((segid “PROT” and resid 19 and name HE1))

(segid “PROT” and resid 22 and name HD 1%)

OR {4232}

((segid “PROT” and resid 64 and name HE1))

(segid “PROT” and resid 22 and name HD 1%)

ASSI {4242}

((segid “PROT” and resid 97 and name HE1))

(segid “PROT” and resid 101 and name HD 1%)

2.700
1.800
1.800 peak
4242 weight
0.10000E + 01 volume
0.24492E + 01 ppm1
3.006 ppm2
0.997

OR {4242}

((segid “PROT” and resid 6 and name HE1))

((segid “PROT” and resid 116 and name HG12))

ASSI {4582}

((segid “PROT” and resid 66 and name HE1))

((segid “PROT” and resid 99 and name HA))

2.900
2.100
2.100 peak
4582 weight
0.10000E + 01 volume
0.15734E + 01 ppm1
2.513 ppm2
3.899

OR {4582}

((segid “PROT” and resid 66 and name HE1))

((segid “PROT” and resid 83 and name HA))

ASSI {6142}

((segid “PROT” and resid 94 and name HG1))

((segid “PROT” and resid 97 and name HE1))

2.900
2.100
2.100 peak
6142 weight
0.10000E + 01 volume
0.16943E + 01 ppm1
2.228 ppm2
3.037

OR {6142}

((segid “PROT” and resid 87 and name HG2))

((segid “PROT” and resid 94 and name HB1))

ASSI {7022}

((segid “PROT” and resid 64 and name HB1))

((segid “PROT” and resid 61 and name HG1))

1.900
1.900
2.600 peak
7022 weight
0.10000E + 01 volume
0.22077E + 02 ppm1
2.025 ppm2
2 387

OR {7022}

((segid “PROT” and resid 64 and name HB1))

((segid “PROT” and resid 63 and name HB1))

OR {7022}

((segid “PROT” and resid 39 and name HB1))

((segid “PROT” and resid 42 and name HG1))

ASSI {7822}

((segid “PROT” and resid 97 and name HD1))

((segid “PROT” and resid 94 and name HG1))

2.600
1.700
1.700 peak
7822 weight
0.10000E + 01 volume
0.31606E + 01 ppm1
1.844 ppm2
2.284

OR {7822}

((segid “PROT” and resid 97 and name HD1))

((segid “PROT” and resid 92 and name HG2))

ASSI {8232}

((segid “PROT” and resid 6 and name HD1))

(segid “PROT” and resid 116 and name HD 1%)

2.900
2.100
2.100 peak
8232 weight
0.10000E + 01 volume
0.18699E + 01 ppm1
1.677 ppm2
0.840

OR {8232}

((segid “PROT” and resid 118 and name HD1))

(segid “PROT” and resid 116 and name HG 2%)

OR {8232}

((segid “PROT” and resid 6 and name HD1))

(segid “PROT” and resid 116 and name HG 2%)

OR {8232}

((segid “PROT” and resid 111 and name HD1))

(segid “PROT” and resid 116 and name HG 2%)

ASSI {9772}

((segid “PROT” and resid 110 and name HG12))

((segid “PROT” and resid 115 and name HB2))

3.000
2.200
2.200 peak
9772 weight
0.10000E + 01 volume
0.15374E + 01 ppm1
1.125 ppm2
1.618

OR {9772}

((segid “PROT” and resid 110 and name HG11))

((segid “PROT” and resid 119 and name HB2))

OR {9772}

((segid “PROT” and resid 110 and name HG11))

((segid “PROT” and resid 109 and name HB2))

ASSI {9822}

(segid “PROT” and resid 78 and name HD 1%)

(segid “PROT” and resid 74 and name HD %)

2.400
1.400
1.400 peak
9822 weight
0.10000E + 01 volume
0.47381E + 01 ppm1
0.096 ppm2
6.459

OR {9822}

(segid “PROT” and resid 78 and name HD 1%)

(segid “PROT” and resid 82 and name HE %)

ASSI {9052}

((segid “PROT” and resid 97 and name HG2))

((segid “PROT” and resid 94 and name HA))

2.400
1.400
1.400 peak
9952 weight
0.10000E + 01 volume
0.50570E + 01 ppm1
1.607 ppm2
4.239

OR {9952}

((segid “PROT” and resid 97 and name HG2))

((segid “PROT” and resid 97 and name HA))

ASSI {10652}

((segid “PROT” and resid 6 and name HG1))

(segid “PROT” and resid 115 and name HA))

2.400
1.400
1.400 peak
10652 weight
0.10000E + 01 volume
0.48739E + 01 ppm1
1.470 ppm2
4.248

OR {10652}

((segid “PROT” and resid 6 and name HG1))

((segid “PROT” and resid HB and name HA))

OR {10652}

((segid “PROT” and resid 6 and name HG2))

((segid “PROT” and resid 115 and name HA))

OR {10652}

((segid “PROT” and resid 6 and name HG2))

((segid “PROT” and resid 116 and name HA))

OR {10652}

((segid “PROT” and resid 111 and name HG1))

((segid “PROT” and resid 108 and name HA))

ASSI {10712}

((segid “PROT” and resid 57 and name HG1))

((segid “PROT” and resid 37 and name HB1))

2.500
1.600
1.600 peak
10712 weight
0.10000E + 01 volume
0.40188E + 01 ppm1
1.522 ppm2
2.399

OR {10712}

((segid “PROT” and resid 57 and name HG1))

((segid “PROT” and resid 55 and name HB1))

ASSI {10852}

((segid “PROT” and resid 6 and name HG2))

((segid “PROT” and resid 6 and name HD1))

1.600
0.600
0.600 peak
10852 weight
0.10000E + 01 volume
0.64288E + 02 ppm1
1.451 ppm2
1.709

OR {10852}

((segid “PROT” and resid 104 and name HG2))

((segid “PROT” and resid 104 and name HD1))

OR {10852}

((segid “PROT” and resid 6 and name HG1))

((segid “PROT” and resid 6 and name HD1))

ASSI {11042}

((segid “PROT” and resid 102 and name HG 2%)

((segid “PROT” and resid 28 and name HA))

2.600
1.700
1.700 peak
11042 weight
0.10000E + 01 volume
0.30164E + 01 ppm1
0.766 ppm2
3.994

OR {11042}

(segid “PROT” and resid 102 and name HG 2%)

((segid “PROT” and resid 30 and name HB2))

OR {11042}

(segid “PROT” and resid 102 and name HD 2%)

((segid “PROT” and resid 106 and name HA))

ASSI {11372}

(segid “PROT” and resid 115 and name HG 2%)

(segid “PROT” and resid 75 and name HE %)

2.800
2.000
2.000 peak
11372 weight
0.10000E + 01 volume
0.22403E + 01 ppm1
0.792 ppm2
2.095

OR {11372}

(segid “PROT” and resid 115 and name HD 2%)

((segid “PROT” and resid 8 and name HG1))

ASSI {11542}

(segid “PROT” and resid 25 and name HG 1%)

(segid “PROT” and resid 31 and name HB %)

2.800
2.000
2.000 peak
11542 weight
0.10000E + 01 volume
0.19754E + 01 ppm1
1.246 ppm2
1.764

OR {11542}

(segid “PROT” and resid 25 and name HG 1%)

((segid “PROT” and resid 21 and name HG11))

OR {11542}

(segid “PROT” and resid 25 and name HG 1%)

((segid “PROT” and resid 22 and name HB2))

OR {11542}

(segid “PROT” and resid 25 and name HG 1%)

((segid “PROT” and resid 22 and name HG))

ASSI {11582}

(segid “PROT” and resid 25 and name HG 1%)

(segid “PROT” and resid 56 and name HD 2%)

2.700
1.800
1.800 peak
11582 weight
0.10000E + 01 volume
0.27149E + 01 ppm1
1.242 ppm2
0.676

OR {11582}

(segid “PROT” and resid 25 and name HG 1%)

((segid “PROT” and resid 78 and name HG))

OR {11582}

(segid “PROT” and resid 25 and name HG 1%)

(segid “PROT” and resid 110 and name HG 2%)

ASSI {11652}

(segid “PROT” and resid 83 and name HG 2%)

((segid “PROT” and resid 86 and name HB1))

2.600
2.000
2.000 peak
11652 weight
0.10000E + 01 volume
0.20985 + 01 ppm1
1.322 ppm2
1.811

OR {11652}

(segid “PROT” and resid 83 and name HG 2%)

((segid “PROT” and resid 80 and name HG1))

OR {11652}

(segid “PROT” and resid 41 and name HG 2%)

((segid “PEPT” and resid 206 and name HB1))

ASSI {11842}

(segid “PROT” and resid 81 and name HG 1%)

((segid “PROT” and resid 56 and name HG))

2.000
2.100
2.100 peak
11842 weight
0.10000E + 01 volume
0.17306E + 01 ppm1
0.514 ppm2
1.778

OR {11842}

(segid “PROT” and resid 81 and name HG 1%)

((segid “PROT” and resid 80 and name HG1))

OR {11642}

(segid “PROT” and resid 38 and name HG 1%)

((segid “PROT” and resid 205 and name HB1))

OR {11842}

(segid “PROT” and resid 38 and name HG 1%)

((segid “PROT” and resid 36 and name HB2))

ASSI {12152}

(segid “PROT” and resid 69 and name HG 1%)

((segid “PROT” and resid 11 and name HB2))

2.900
2.100
2.100 peak
12152 weight
0.10000E + 01 volume
0.15613E + 01 ppm1
0.968 ppm2
2.086

OR {12182}

(segid “PROT” and resid 69 and name HG 1%)

((segid “PROT” and resid 66 and name HB2))

ASSI {12162}

(segid “PROT” and resid 17 and name HG 2%)

((segid “PROT” and resid 115 and name HG))

2.700
1.800
1.800 peak
12162 weight
0.10000E + 01 volume
0.25853E + 01 ppm1
1.176 ppm2
1.577

OR {12162}

(segid “PROT” and resid 17 and name HG 2%)

((segid “PROT” and resid 109 and name HB2))

ASSI {12662}

(segid “PROT” and resid 113 and name HB %)

((segid “PROT” and resid 110 and name HB))

2.600
1.700
1.700 peak
12662 weight
0.10000E + 01 volume
0.30533E + 01 ppm1
1.409 ppm2
1.786

OR {12662}

(segid “PROT” and resid 113 and name HB %)

((segid “PROT” and resid 109 and name HB1))

OR {12662}

(segid “PROT” and resid 113 and name HB %)

((segid “PROT” and resid 21 and name HG11))

ASSI {12692}

(segid “PROT” and resid 113 and name HB %)

((segid “PROT” and resid 21 and name HG12))

2.900
2.100
2.100 peak
12692 weight
0.10000E + 01 volume
0.17007E + 01 ppm1
1.416 ppm2
1.073

OR {12692}

(segid “PROT” and resid 113 and name HB %)

((segid “PROT” and resid 110 and name HG12))

ASSI {13152}

(segid “PROT” and resid 21 and name HG 2%)

((segid “PROT” and resid 24 and name HG2))

2.900
2.100
2.100 peak
13152 weight
0.10000E + 01 volume
0.16386E + 01 ppm1
1.019 ppm2
2.511

OR {13192}

(segid “PROT” and resid 21 and name HG 2%)

((segid “PROT” and resid 109 and name HE2))

ASSI {13172}

(segid “PROT” and resid 21 and name HG 2%)

(segid “PROT” and resid 113 and name HB %))

2.900
2.100
2.100 peak
13172 weight
0.10000E + 01 volume
0.15888E + 01 ppm1
1.022 ppm2
1.412

OR {13172}

(segid “PROT” and resid 21 and name HG 2%)

((segid PROT” and resid 109 and name HD1))

ASSI {13282}

(segid “PROT” and resid 75 and name HE %)

((segid “PROT” and resid 6 and name HE1))

2.700
1.800
1.800 peak
13282 weight
0.10000E + 01 volume
0.290483 + 01 ppm1
2.097 ppm2
3.036

OR {13282}

(segid “PROT” and resid 75 and name HE %)

((segid “PROT” and resid 74 and name HB1))

OR {13282}

(segid “PROT” and resid 75 and name HE %)

((segid “PROT” and resid 82 and name HB2))

ASSI {13352}

(segid “PROT” and resid 75 and name HE %)

(segid “PROT” and resid 113 and name HB %)

2.900
2.100
2.100 peak
13352 weight
0.10000E + 01 volume
0.15571E + 01 ppm1
2.095 ppm2
1.436

OR {13352}

(segid “PROT” and resid 75 and name HE %)

((segid “PROT” and resid 6 and name HG1))

OR {13352}

(segid “PROT” and resid 75 and name HE %)

((segid “PROT” and resid 6 and name HG2))

OR {13352}

(segid “PROT” and resid 75 and name HE %)

((segid “PROT” and resid 81 and name HB))

ASSI {14022}

(segid “PROT” and resid 116 and name HD 1%)

((segid “PROT” and resid 107 and name HA))

2.900
2.100
2.100 peak
14022 weight
0.10000E + 01 volume
0.16161E + 01 ppm1
0.826 ppm2
3.863

OR {14022}

(segid “PROT” and resid 116 and name HD 1%)

((segid “PROT” and resid 110 and name HA))

ASSI {14402}

((segid “PROT” and resid 74 and name HB2))

((segid “PROT” and resid 75 and name HA))

3.200
2.600
2.300 peak
14402 weight
0.10000E + 01 volume
0.10054E + 01 ppm1
2.415 ppm2
4.066

OR {14402}

((segid “PROT” and resid 74 and name HB2))

((segid “PROT” and resid 15 and name HA))

OR {14402}

((segid “PROT” and resid 74 and name HB2))

((segid “PROT” and resid 72 and name HA))

ASSI {14792}

((segid “PROT” and resid 53 and name HG1))

((segid “PROT” and resid 52 and name HB1))

3.300
2.700
2.200 peak
14792 weight
0.10000E + 01 volume
0.77210E + 00 ppm1
2.267 ppm2
3.049

OR {14792}

((segid “PROT” and resid 53 and name HG1))

((segid “PROT” and resid 84 and name HB1))

ASSI {15152}

((segid “PROT” and resid 96 and name HB1))

(segid “PROT” and resid 99 and name HB %)

3.200
2.600
2.300 peak
15152 weight
0.10000E + 01 volume
0.91940E + 00 ppm1
3.417 ppm2
1.640

OR {15152}

((segid “PROT” and resid 96 and name HB1))

((segid “PROT” and resid 97 and name HG2))

ASSI {15342}

(segid “PROT” and resid 38 and name HG 2%)

((segid “PROT” and resid 53 and name HA))

3.200
2.600
2.300 peak
15342 weight
0.10000E + 01 volume
0.94230E + 00 ppm1
−0.005 ppm2
4.101

OR {15342}

(segid “PROT” and resid 38 and name HG 2%)

((segid “PROT” and resid 41 and name HA))

ASSI {15372}

(segid “PROT” and resid 38 and name HG 2%)

((segid “PROT” and resid 46 and name HB2))

3.000
2.200
2.200 peak
15372 weight
0.10000E + 01 volume
0.13687E + 01 ppm1
−0.009 ppm2
2.414

OR {15372}

(segid “PROT” and resid 38 and name HG 2%)

((segid “PROT” and resid 37 and name HB1))

ASSI {15382}

(segid “PROT” and resid 38 and name HG 2%)

((segid “PROT” and resid 39 and name HB2))

3.000
2.200
2.200 peak
15382 weight
0.10000E + 01 volume
0.12723E + 01 ppm1
−0.012 ppm2
1.942

OR {15382}

(segid “PROT” and resid 38 and name HG 2%)

((segid “PROT” and resid 53 and name HG2))

ASSI {15422}

(segid “PROT” and resid 81 and name HG 2%)

((segid “PROT” and resid 80 and name HB2))

3.200
2.600
2.300 peak
15422 weight
0.10000E + 01 volume
0.98300E + 00 ppm1
0.152 ppm2
1.938

OR {15422}

(segid “PROT” and resid 81 and name HG 2%)

((segid “PROT” and resid 59 and name HB2))

ASSI {15442}

(segid “PROT” and resid 81 and name HG 2%)

((segid “PROT” and resid 31 and name HA))

3.200
2.600
2.300 peak
15442 weight
0.10000E + 01 volume
0.91520E + 00 ppm1
0.154 ppm2
4.431

OR {15442}

(segid “PROT” and resid 81 and name HG 2%)

((segid “PROT” and resid 77 and name HA))

ASSI {15682}

(segid “PROT” and resid 18 and name HD 2%)

((segid “PROT” and resid 74 and name HA))

3.300
2.700
2.200 peak
15682 weight
0.10000E + 01 volume
0.81490E + 00 ppm1
−0.161 ppm2
3.801

OR {15682}

(segid “PROT” and resid 18 and name HD 2%)

((segid “PROT” and resid 70 and name HB2))

ASSI {16372}

(segid “PROT” and resid 78 and name HD 2%)

((segid “PROT” and resid 22 and name HA))

3.200
2.600
2.300 peak
16272 weight
0.10000E + 01 volume
0 10279E + 01 ppm1
0.201 ppm2
4.142

OR {16372}

((segid “PROT” and resid 50 and name HD12))

((segid “PROT” and resid 53 and name HA))

OR {16372}

((segid “PROT” and resid 50 and name HD12))

((segid “PROT” and resid 47 and name HA))

ASSI {16562}

((segid “PROT” and resid 115 and name HB2))

((segid “PROT” and resid 110 and name HG11))

3.200
2.600
2.300 peak
16562 weight
0.10000E + 01 volume
0.10189E + 01 ppm1
1.619 ppm2
1.169

OR {16562}

((segid “PROT” and resid 115 and name HB2))

(segid “PROT” and resid 17 and name HG 2%)

ASSI {16752}

(segid “PROT” and resid 21 and name HD 1%)

((segid “PROT” and resid 20 and name HB1))

3.100
2.400
2.400 peak
16752 weight
0.10000E + 01 volume
0.11661E + 01 ppm1
0.657 ppm2
4.106

OR {16752}

(segid “PROT” and resid 21 and name HD 1%)

((segid “PROT” and resid 109 and name HA))

ASSI {16872}

(segid “PROT” and resid 78 and name HD 2%)

((segid “PROT” and resid 56 and name HG))

3.300
2.700
2.200 peak
16872 weight
0.10000E + 01 volume
0.83710E + 00 ppm1
0.182 ppm2
1.768

OR {16872}

(segid “PROT” and resid 78 and name HD 2%)

(segid “PROT” and resid 31 and name HB %)

OR {16872}

(segid “PROT” and resid 78 and name HD 2%)

((segid “PROT” and resid 22 and name HG))

OR {16872}

(segid “PROT” and resid 78 and name HD 2%)

((segid “PROT” and resid 22 and name HB2))

ASSI {16942}

(segid “PROT” and resid 50 and name HG 2%)

(segid “PROT” and resid 49 and name HG 2%)

3.200
2.600
2.300 peak
16942 weight
0.10000E + 01 volume
0.10136E + 01 ppm1
0.420 ppm2
0.947

OR {16942}

(segid “PROT” and resid 50 and name HG 2%)

(segid “PROT” and resid 43 and name HB %)

ASSI {17202}

(segid “PROT” and resid 110 and name HG 2%)

((segid “PROT” and resid 75 and name HB2))

3.400
2.900
2.100 peak
17202 weight
0.10000E + 01 volume
0.64990E + 00 ppm1
0.697 ppm2
2.651

OR {17202}

(segid “PROT” and resid 110 and name HG 2%)

((segid “PROT” and resid 109 and name HE1))

ASSI {17212}

(segid “PROT” and resid 110 and name HG 2%)

((segid “PROT” and resid 75 and name HA))

3.000
2.200
2.200 peak
17212 weight
0.10000E + 01 volume
0.13418E + 01 ppm1
0.693 ppm2
4.096

OR {17212}

(segid “PROT” and resid 110 and name HG 2%)

((segid “PROT” and resid 109 and name HA))

OR {17212}

(segid “PROT” and resid 110 and name HG 2%)

((segid “PROT” and resid 111 and name HA))

ASSI {17222}

(segid “PROT” and resid 110 and name HG 2%)

((segid “PROT” and resid 115 and name HA))

3.000
2.200
2.200 peak
17222 weight
0.10000E + 01 volume
0.12816E + 01 ppm1
0.693 ppm2
4.268

OR {17222}

(segid “PROT” and resid 110 and name HG 2%)

((segid “PROT” and resid 17 and name HB))

OR {17222}

(segid “PROT” and resid 110 and name HG 2%)

((segid “PROT” and resid 116 and name HA))

OR {17222}

(segid “PROT” and resid 110 and name HG 2%)

((segid “PROT” and resid 108 and name HA))

ASSI {17242}

(segid “PROT” and resid 110 and name HD 1%)

((segid “PROT” and resid 75 and name HB1))

3.200
2.600
2.300 peak
17242 weight
0.10000E + 01 volume
0.96060E + 00 ppm1
0.566 ppm2
2.968

OR {17242}

(segid “PROT” and resid 110 and name HD 1%)

((segid “PROT” and resid 74 and name HB1))

ASSI {17732}

((segid “PROT” and resid 104 and name HB1))

((segid “PROT” and resid 105 and name HB2))

3.000
2.200
2.200 peak
17732 weight
0.10000E + 01 volume
0.13380E + 01 ppm1
1.956 ppm2
3.093

OR {17732}

((segid “PROT” and resid 104 and name HB1))

((segid “PROT” and resid 107 and name HB1))

ASSI {18402}

((segid “PROT” and resid 54 and name HE %)

((segid “PROT” and resid 78 and name HA))

3.200
2.600
2.300 peak
18402 weight
0.10000E + 01 volume
0.91630E + 00 ppm1
2.004 ppm2
3.407

OR {18402}

(segid “PROT” and resid 54 and name HE %)

((segid “PROT” and resid 53 and name HD 2))

OR {18402}

(segid “PROT” and resid 54 and name HE %)

((segid “PROT” and resid 80 and name HD1))

ASSI {18632}

(segid “PROT” and resid 75 and name HE %)

((segid “PROT” and resid 107 and name HA))

3.200
2.600
2.300 peak
18632 weight
0.10000E + 01 volume
0.93700E + 00 ppm1
2.094 ppm2
3.856

OR {18632}

(segid “PROT” and resid 75 and name HE %)

((segid “PROT” and resid 79 and name HA))

ASSI {19102}

((segid “PROT” and resid 92 and name HB2))

((segid “PROT” and resid 80 and name HG1))

3.300
2.700
2.200 peak
19102 weight
0.10000E + 01 volume
0.60800E + 00 ppm1
2.952 ppm2
1.789

OR {19102}

((segid “PROT” and resid 100 and name HB1))

((segid “PROT” and resid 103 and name HB1))

OR {19102}

((segid “PROT” and resid 100 and name HB1))

((segid “PROT” and resid 97 and name HG1))

ASSI {19112}

((segid “PROT” and resid 52 and name HB2))

((segid “PROT” and resid 80 and name HB2))

3.300
2.700
2.200 peak
19112 weight
0.10000E + 01 volume
0.95230E + 00 ppm1
2.952 ppm2
1.993

OR {19112}

((segid “PROT” and resid 100 and name HB1))

((segid “PROT” and resid 101 and name HB))

ASSI {19132}

((segid “PROT” and resid 19 and name HB2))

((segid “PROT” and resid 63 and name HD 2%)

3.100
2.400
2.400 peak
19132 weight
0.10000E + 01 volume
0.11757E + 01 ppm1
1.414 ppm2
1.074

OR {19132}

((segid “PROT” and resid 19 and name HB2))

(segid “PROT” and resid 22 and name HD 1%)

ASSI {19302}

((segid “PROT” and resid 97 and name HG1))

((segid “PROT” and resid 94 and name HA))

2.500
1.600
1.600 peak
19302 weight
0.10000E + 01 volume
0.39386E + 01 ppm1
1.850 ppm2
4.236

OR {19302}

((segid “PROT” and resid 97 and name HG1))

((segid “PROT” and resid 97 and name HA))

ASSI {19402}

(segid “PROT” and resid 49 and name HG 1%)

((segid “PROT” and resid 94 and name HB1))

2.900
2.100
2.100 peak
19402 weight
0.10000E + 01 volume
0.15644E + 01 ppm1
0.969 ppm2
3.045

OR {19402}

(segid “PROT” and resid 43 and name HB %)

((segid “PEPT” and resid 205 and name HE1))

ASSI {19792}

(segid “PROT” and resid 25 and name HG 2%)

((segid “PROT” and resid 56 and name HB2))

3.000
2.200
2.200 peak
19792 weight
0.10000E + 01 volume
0.14304E + 01 ppm1
1.076 ppm2
1.466

OR {19792}

(segid “PROT” and resid 25 and name HD 2%)

((segid “PROT” and resid 102 and name HB1))

ASSI {19832}

(segid “PROT” and resid 58 and name HG 2%)

((segid “PROT” and resid 57 and name HE1))

2.600
1.700
1.700 peak
19832 weight
0.10000E + 01 volume
0.33967E + 01 ppm1
1.097 ppm2
2.611

OR {19832}

(segid “PROT” and resid 25 and name HG 2%)

((segid “PROT” and resid 34 and name HB2))

ASSI {19842}

(segid “PROT” and resid 58 and name HG 2%)

((segid “PROT” and resid 61 and name HG2))

3.100
2.400
2.400 peak
19842 weight
0.10000E + 01 volume
0.11239E + 01 ppm1
1.100 ppm2
2.265

OR {19842}

(segid “PROT” and resid 58 and name HG 2%)

((segid “PROT” and resid 61 and name HB1))

OR {19842}

(segid “PROT” and resid 58 and name HG 2%)

((segid “PROT” and resid 53 and name HB1))

ASSI {20142}

((segid “PROT” and resid 39 and name HB2))

(segid “PROT” and resid 38 and name HG 1%)

3.500
3.100
2.000 peak
20142 weight
0.10000E + 01 volume
0.60320E + 00 ppm1
1.913 ppm2
0.516

OR {20142}

((segid “PROT” and resid 8 and name HB2))

(segid “PROT” and resid 18 and name HD 1%)

ASSI {20192}

(segid “PROT” and resid 102 and name HD 1%)

((segid “PROT” and resid 28 and name HB1))

2.800
2.000
2.000 peak
20192 weight
0.10000E + 01 volume
0.20545E + 01 ppm1
0.754 ppm2
3.007

OR {20192}

(segid “PROT” and resid 115 and name HD 1%)

((segid “PROT” and resid 74 and name HB1))

ASSI {21012}

(segid “PROT” and resid 35 and name HE %)

(segid “PROT” and resid 25 and name HG 2%)

3.300
2.700
2.200 peak
21012 weight
0.10000E + 01 volume
0.73890E + 00 ppm1
2.221 ppm2
1.062

OR {21012}

(segid “PROT” and resid 35 and name HE %)

(segid “PROT” and resid 22 and name HD 2%)

ASSI {21052}

(segid “PROT” and resid 50 and name HD 1%)

(segid “PROT” and resid 83 and name HG 2%)

3.600
3.200
1.900 peak
21052 weight
0.10000E + 01 volume
0.47270E + 00 ppm1
0.580 ppm2
1.342

OR {21052}

(segid “PROT” and resid 50 and name HD 1%)

((segid “PROT” and resid 51 and name HG1))

OR {21052}

(segid “PROT” and resid 50 and name HD 1%)

((segid “PROT” and resid 86 and name HG1))

ASSI {21072}

(segid “PROT” and resid 110 and name HD 1%)

((segid “PROT” and resid 107 and name HB1))

3.300
2.700
2.200 peak
21072 weight
0.10000E + 01 volume
0.77140E + 00 ppm1
0.567 ppm2
3.097

OR {21072}

(segid “PROT” and resid 110 and name HD 1%)

((segid “PROT” and resid 108 and name HB2))

ASSI {21122}

(segid “PROT” and resid 110 and name HD 1%)

((segid “PROT” and resid 75 and name HA))

3.300
2.700
2.200 peak
21122 weight
0.10000E + 01 volume
0.78390E + 00 ppm1
0.564 ppm2
4.090

OR {21122}

(segid “PROT” and resid 110 and name HD 1%)

((segid “PROT” and resid 111 and name HA))

ASSI {21192}

(segid “PROT” and resid 21 and name HD 1%)

((segid “PROT” and resid 109 and name HE2))

3.800
3.100
2.000 peak
21192 weight
0.10000E + 01 volume
0.57950E + 00 ppm1
0.655 ppm2
2.513

OR {21192}

(segid “PROT” and resid 21 and name HD 1%)

((segid “PROT” and resid 24 and name HG2))

ASSI {21202}

(segid “PROT” and resid 101 and name HD 1%)

((segid “PROT” and resid 29 and name HG1))

3.300
2.700
2.200 peak
21202 weight
0.10000E + 01 volume
0.73140E + 00 ppm1
1.003 ppm2
2.491

OR {21202}

(segid “PROT” and resid 101 and name HD 1%)

((segid “PROT” and resid 86 and name HE2))

ASSI {21252}

(segid “PROT” and resid 54 and name HE %)

((segid “PROT” and resid 52 and name HB1))

3.300
2.700
2.200 peak
21252 weight
0.10000E + 01 volume
0.73170E + 00 ppm1
2.001 ppm2
3.055

OR {21252}

(segid “PROT” and resid 54 and name HE %)

((segid “PROT” and resid 68 and name HB1))

ASSI {21262}

(segid “PROT” and resid 59 and name HE %)

((segid “PROT” and resid 22 and name HG))

3.300
2.700
2.200 peak
21262 weight
0.10000E + 01 volume
0.72600E + 00 ppm1
1.304 ppm2
1.770

OR {21262}

(segid “PROT” and resid 59 and name HE %)

((segid “PROT” and resid 22 and name HB2))

OR {21262}

(segid “PROT” and resid 59 and name HE %)

((segid “PROT” and resid 56 and name HG))

ASSI {21272}

(segid “PROT” and resid 59 and name HE %)

((segid “PROT” and resid 74 and name HB2))

3.500
3.100
2.000 peak
21272 weight
0.10000E + 01 volume
0.59840E + 00 ppm1
1.308 ppm2
2.414

OR {21272}

(segid “PROT” and resid 59 and name HE %)

((segid “PROT” and resid 25 and name HB))

ASSI {21282}

(segid “PROT” and resid 59 and name HE %)

((segid “PROT” and resid 68 and name HB2))

3.300
2.700
2.200 peak
21282 weight
0.10000E + 01 volume
0.76270E + 00 ppm1
1.307 ppm2
2.928

OR {21282}

(segid “PROT” and resid 59 and name HE %)

((segid “PROT” and resid 75 and name HB1))

ASSI {21292}

(segid “PROT” and resid 59 and name HE %)

((segid “PROT” and resid 74 and name HB1))

3.100
2.400
2.400 peak
21292 weight
0.10000E + 01 volume
0.12489E + 01 ppm1
1.307 ppm2
3.001

OR {21292}

(segid “PROT” and resid 59 and name HE %)

((segid “PROT” and resid 82 and name HB2))

ASSI {21302}

(segid “PROT” and resid 50 and name HG 2%)

((segid PROT” and resid 81 and name HA))

3.300
2.700
2.200 peak
21302 weight
0.10000E + 01 volume
0.74050E + 00 ppm1
0.418 ppm2
3.139

OR {21302}

(segid “PROT” and resid 50 and name HG 2%)

((segid “PROT” and resid 85 and name HB2))

ASSI {21392}

(segid “PROT” and resid 75 and name HE %)

(segid “PROT” and resid 21 and name HG11))

2.900
2.100
2.100 peak
21392 weight
0.10000E + 01 volume
0.16056E + 01 ppm1
2.097 ppm2
1.744

OR {21392}

(segid “PROT” and resid 75 and name HE %)

((segid “PROT” and resid 109 and name HB1))

ASSI {21422}

(segid “PROT” and resid 75 and name HE %)

(segid “PROT” and resid 106 and name HD %)

3.400
2.900
2.100 peak
21422 weight
0.10000E + 01 volume
0.65170E + 00 ppm1
2.094 ppm2
6.965

OR {21422}

(segid “PROT” and resid 75 and name HE %)

(segid “PROT” and resid 74 and name HE %)

ASSI {21532}

(segid “PROT” and resid 101 and name HG 2%)

((segid “PROT” and resid 29 and name HD1))

3.100
2.400
2.400 peak
21532 weight
0.10000E + 01 volume
0.11597E + 01 ppm1
1.029 ppm2
2.512

OR {21532}

(segid “PROT” and resid 101 and name HG 2%)

((segid “PROT” and resid 24 and name HB1))

ASSI {21542}

(segid “PROT” and resid 101 and name HG 2%)

((segid “PROT” and resid 28 and name HB1))

3.000
2.200
2.200 peak
21542 weight
0.10000E + 01 volume
0.12716E + 01 ppm1
1.029 ppm2
3.048

OR {21542}

(segid “PROT” and resid 101 and name HG 2%)

((segid “PROT” and resid 98 and name HB2))

OR {21542}

(segid “PROT” and resid 101 and name HG 2%)

((segid “PROT” and resid 104 and name HE1))

ASSI {21652}

(segid “PROT” and resid 99 and name HB %)

((segid “PROT” and resid 101 and name HB))

3.200
2.800
2.300 peak
21652 weight
0.10000E + 01 volume
0.91970E + 00 ppm1
1.661 ppm2
1.940

OR {21652}

(segid “PROT” and resid 99 and name HB %)

((segid “PROT” and resid 103 and name HG2))

ASSI {21882}

(segid “PROT” and resid 113 and name HB %)

((segid “PROT” and resid 112 and name HG2))

3.600
3.200
1.900 peak
21882 weight
0.10000E + 01 volume
0.47230E + 00 ppm1
1.410 ppm2
2.255

OR {21882}

(segid “PROT” and resid 113 and name HB %)

((segid “PROT” and resid 75 and name HG2))

ASSI {21912}

(segid “PROT” and resid 113 and name HB %)

((segid “PROT” and resid 112 and name HA))

3.100
2.400
2.400 peak
21912 weight
0.10000E + 01 volume
0.12419E + 01 ppm1
1.406 ppm2
4.025

OR {21912}

(segid “PROT” and resid 113 and name HB %)

((segid PROT” and resid 106 and name HA))

ASSI {21932}

(segid “PROT” and resid 18 and name HD 2%)

(segid “PROT” and resid 21 and name HG 2%)

3.100
2.400
2.400 peak
21932 weight
0.10000E + 01 volume
0.10470E + 01 ppm1
−0.162 ppm2
1.023

OR {21932}

(segid “PROT” and resid 18 and name HD 2%)

(segid “PROT” and resid 22 and name HD 2%)

ASSI {21942}

(segid “PROT” and resid 18 and name HG 2%)

(segid “PROT” and resid 113 and name HB %)

3.400
2.900
2.100 peak
21942 weight
0.10000E + 01 volume
0 65970E + 00 ppm1
−0.162 ppm2
1.424

OR {21942}

(segid “PROT” and resid 18 and name HD 2%)

((segid “PROT” and resid 14 and name HG))

ASSI {22002}

(segid “PROT” and resid 43 and name HB %)

((segid “PROT” and resid 39 and name HA))

3.300
2.700
2.200 peak
22002 weight
0.10000E + 01 volume
0.79200E + 00 ppm1
0.988 ppm2
4.446

OR {22002}

(segid “PROT” and resid 43 and name HB %)

((segid “PEPT” and resid 204 and name HA))

ASSI {22012}

(segid “PROT” and resid 49 and name HG 2%)

((segid “PROT” and resid 87 and name HB2))

3.100
2.400
2.400 peak
22012 weight
0.10000E + 01 volume
0.12017E + 01 ppm1
0.909 ppm2
2.082

OR {22012}

(segid “PROT” and resid 49 and name HG 2%)

((segid “PROT” and resid 48 and name HB2))

ASSI {22162}

(segid “PROT” and resid 25 and name HG 2%)

((segid “PROT” and resid 31 and name HA))

3.300
2.700
2.200 peak
22162 weight
0.10000E + 01 volume
0.83230E + 00 ppm1
1.084 ppm2
4.438

OR {22162}

(segid “PROT” and resid 25 and name HG 2%)

((segid “PROT” and resid 60 and name HA))

ASSI {22242}

( segid “PROT” and resid 115 and name HD 2%)

((segid “PROT” and resid 21 and name HG11))

2.200
2.200
2.300 peak
22242 weight
0.10000E + 01 volume
0.90954E + 01 ppm1
0.786 ppm2
1.755

OR {22242}

(segid “PROT” and resid 115 and name HD 2%)

((segid “PROT” and resid 109 and name HB1))

OR {22242}

(segid “PROT” and resid 115 and name HD 2%)

((segid “PROT” and resid 111 and name HB2))

ASSI {22252}

(segid “PROT” and resid 115 and name HD 2%)

((segid “PROT” and resid 75 and name HG2))

3.200
2.600
2.300 peak
22252 weight
0.10000E + 01 volume
0.10049E + 01 ppm1
0.783 ppm2
2.265

OR {22252}

(segid “PROT” and resid 115 and name HD 2%)

((segid “PROT” and resid 8 and name HB1))

ASSI {22272}

(segid “PROT” and resid 73 and name HD 2%)

((segid “PROT” and resid 74 and name HB1))

3.200
2.600
2.300 peak
22272 weight
0.10000E + 01 volume
0.88380E + 00 ppm1
0.924 ppm2
3.008

OR {22272}

(segid “PROT” and resid 73 and name HD 2%)

((segid “PROT” and resid 67 and name HB1))

ASSI {22332}

(segid “PROT” and resid 22 and name HD 2%)

((segid “PROT” and resid 59 and name HA))

3.200
2.600
2.300 peak
22332 weight
0.10000E + 01 volume
0.10249E + 01 ppm1
1.047 ppm2
4.341

OR {22332}

(segid “PROT” and resid 22 and name HD 2%)

((segid “PROT” and resid 35 and name HA))

OR {22332}

(segid “PROT” and resid 22 and name HD 2%)

((segid “PROT” and resid 20 and name HA))

ASSI {22372}

(segid “PROT” and resid 78 and name HD 2%)

((segid “PROT” and resid 25 and name HB))

3.600
3.200
1.900 peak
22372 weight
0.10000E + 01 volume
0.49530E + 00 ppm1
0.195 ppm2
2.453

OR {22372}

(segid “PROT” and resid 78 and name HD 2%)

((segid “PROT” and resid 74 and name HB2))

ASSI {22392}

(segid “PROT” and resid 102 and name HD 2%)

(segid “PROT” and resid 35 and name HE %)

3.700
3.400
1.900 peak
22392 weight
0.10000E + 01 volume
0.42720E + 00 ppm1
0.760 ppm2
2.234

OR {22392}

(segid “PROT” and resid 102 and name HD 2%)

((segid “PROT” and resid 33 and name HD1))

OR {22392}

(segid “PROT” and resid 102 and name HD 2%)

((segid “PROT” and resid 35 and name HB2))

ASSI {22412}

(segid “PROT” and resid 78 and name HD 2%)

((segid “PROT” and resid 77 and name HB1))

3.600
3.200
1.900 peak
22412 weight
0.10000E + 01 volume
0.45250E + 00 ppm1
0.190 ppm2
2.741

OR {22412}

((segid “PROT” and resid 50 and name HG12))

((segid “PROT” and resid 84 and name HB2))

ASSI {22442}

(segid “PROT” and resid 102 and name HD 2%)

((segid “PROT” and resid 98 and name HB1))

3.600
3.200
1.900 peak
22442 weight
0.10000E + 01 volume
0.48990E + 00 ppm1
0.759 ppm2
3.407

OR {22442}

(segid “PROT” and resid 102 and name HD 2%)

((segid “PROT” and resid 78 and name HA))

ASSI {22452}

(segid “PROT” and resid 78 and name HD 2%)

((segid “PROT” and resid 56 and name HA))

3.400
2.900
2.100 peak
22452 weight
0.10000E + 01 volume
0.69950E + 00 ppm1
0.201 ppm2
4.065

OR {22492}

(segid “PROT” and resid 78 and name HD 2%)

((segid “PROT” and resid 75 and name HA))

ASSI {22462}

(segid “PROT” and resid 78 and name HD 2%)

((segid “PROT” and resid 79 and name HA))

3.200
2.600
2.300 peak
22462 weight
0.10000E + 01 volume
0.93720E + 00 ppm1
0.203 ppm2
3.868

OR {22462}

(segid “PROT” and resid 78 and name HD 2%)

((segid “PROT” and resid 25 and name HA))

ASSI {22532}

(segid “PROT” and resid 73 and name HD 2%)

(segid “PROT” and resid 34 and name HD %)

3.400
2.900
2.100 peak
22532 weight
0.10000E + 01 volume
0.65350E + 00 ppm1
0 199 ppm2
7.213

OR {22532}

(segid “PROT” and resid 78 and name HD 2%)

(segid “PROT” and resid 34 and name HE %)

OR {22532}

(segid “PROT” and resid 78 and name HD 2%)

(segid “PROT” and resid 66 and name HD %)

ASSI {22562}

(segid “PROT” and resid 102 and name HD 1%)

((segid “PROT” and resid 98 and name HB2))

3.300
2.700
2.200 peak
22562 weight
0.10000E + 01 volume
0.83000E + 00 ppm1
0.757 ppm2
3.101

OR {22562}

(segid “PROT” and resid 102 and name HD 1%)

((segid “PROT” and resid 106 and name HB2))

OR {22562}

(segid “PROT” and resid 102 and name HD 1%)

((segid “PROT” and resid 105 and name HB2))

OR {22562}

(segid “PROT” and resid 102 and name HD 1%)

((segid “PROT” and resid 32 and name HB1))

OR {22562}

(segid “PROT” and resid 102 and name HD 1%)

((segid “PROT” and resid 105 and name HB1))

OR {22562}

(segid “PROT” and resid 102 and name HD 1%)

((segid “PROT” and resid 85 and name HB2))

ASSI {22572}

(segid “PROT” and resid 115 and name HD 1%)

((segid “PROT” and resid 114 and name HA 2))

3.000
2.200
2.200 peak
22572 weight
0.10000E + 01 volume
0.14716E + 01 ppm1
0.759 ppm2
4.052

OR {22572}

(segid “PROT” and resid 102 and name HD 1%)

((segid “PROT” and resid 28 and name HA))

OR {22572}

(segid “PROT” and resid 115 and name HD 1%)

((segid “PROT” and resid 72 and name HA))

OR {22572}

(segid “PROT” and resid 102 and name HD 1%)

((segid “PROT” and resid 56 and name HA))

OR {22572}

(segid “PROT” and resid 115 and name HD 1%)

((segid “PROT” and resid 15 and name HA))

ASSI {22692}

(segid “PROT” and resid 63 and name HD 2%)

(segid “PROT” and resid 59 and name HE %)

2.700
1.800
1.800 peak
22692 weight
0.10000E + 01 volume
0.24125E + 01 ppm1
1.080 ppm2
1.317

OR {22692}

(segid “PROT” and resid 63 and name HD 2%)

((segid “PROT” and resid 19 and name HG1))

ASSI {22742}

(segid “PROT” and resid 18 and name HD 1%)

((segid “PROT” and resid 17 and name HB))

3.600
3.200
1.900 peak
22742 weight
0.10000E + 01 volume
0.48300E + 00 ppm1
0.515 ppm2
4.277

OR {22742}

(segid “PROT” and resid 18 and name HD 1%)

((segid “PROT” and resid 73 and name HA))

ASSI {22822}

(segid “PROT” and resid 73 and name HD 1%)

((segid “PROT” and resid 69 and name HA))

3.100
2.400
2.400 peak
22822 weight
0.10000E + 01 volume
0.10888E + 01 ppm1
0.974 ppm2
4.103

OR {22822}

(segid “PROT” and resid 73 and name HD 1%)

((segid “PROT” and resid 67 and name HA))

ASSI {22632}

(segid “PROT” and resid 14 and name HD 1%)

((segid “PROT” and resid 13 and name HA))

3.200
2.600
2.300 peak
22832 weight
0.10000E + 01 volume
0.10254E + 01 ppm1
0.851 ppm2
4.225

OR {22632}

(segid “PROT” and resid 14 and name HD 1%)

((segid “PROT” and resid 115 and name HA))

OR {22832}

(segid “PROT” and resid 14 and name HD 1%)

((segid “PROT” and resid 70 and name HB1))

ASSI {22852}

(segid “PROT” and resid 78 and name HD 1%)

(segid “PROT” and resid 109 and name HB2))

3.400
2.900
2.100 peak
22852 weight
0.10000E + 01 volume
0.68210E + 00 ppm1
0.097 ppm2
1.581

OR {22852}

(segid “PROT” and resid 78 and name HD 1%)

((segid “PROT” and resid 18 and name HB1))

OR {22852}

(segid “PROT” and resid 78 and name HD 1%)

((segid “PROT” and resid 115 and name HB2))

OR {22852}

(segid “PROT” and resid 78 and name HD 1%)

((segid “PROT” and resid 115 and name HG))

ASSI {22912}

(segid “PROT” and resid 22 and name HD 1%)

((segid “PROT” and resid 63 and name HB2))

2.600
1.700
1.700 peak
22912 weight
0.10000E + 01 volume
0.35385E + 01 ppm1
1.108 ppm2
1.950

OR {22912}

((segid “PROT” and resid 110 and name HG12))

((segid “PROT” and resid 111 and name HB1))

ASSI {22952}

((segid “PROT” and resid 110 and name HG12))

(segid “PROT” and resid 107 and name HD %))

3.200
2.600
2.300 peak
22952 weight
0.10000E + 01 volume
0.10158E + 01 ppm1
1.103 ppm2
7.230

OR {22952}

(segid “PROT” and resid 22 and name HD 1%)

(segid “PROT” and resid 68 and name HD %)

ASSI {22972}

((segid “PROT” and resid 98 and name HB2))

((segid “PROT” and resid 99 and name HA))

3.200
2.600
2.300 peak
22972 weight
0.10000E + 01 volume
0.88740E + 00 ppm1
3.094 ppm2
3.915

OR {22972}

((segid “PROT” and resid 85 and name HB2))

((segid “PROT” and resid 99 and name HA))

ASSI {22982}

((segid “PROT” and resid 98 and name HB2))

((segid “PROT” and resid 30 and name HB1))

3.500
3.100
2.000 peak
22982 weight
0.10000E + 01 volume
0.52590E + 00 ppm1
3.082 ppm2
4.349

OR {22982}

((segid “PROT” and resid 85 and name HB2))

((segid “PROT” and resid 64 and name HA))

ASSI {23002}

((segid “PROT” and resid 100 and name HD1))

((segid “PROT” and resid 112 and name HG2))

3.300
2.700
2.200 peak
23002 weight
0.10000E + 01 volume
0.76170E + 00 ppm1
1.417 ppm2
2.231

OR {23002}

((segid “PROT” and resid 14 and name HG))

((segid “PROT” and resid 75 and name HG2))

ASSI {23062}

((segid “PROT” and resid 115 and name HG))

((segid “PROT” and resid 110 and name HD12))

2.900
2.100
2.100 peak
23062 weight
0.10000E + 01 volume
0.18772E + 01 ppm1
1.689 ppm2
1.069

OR {23062}

((segid “PROT” and resid 115 and name HG))

((segid “PROT” and resid 21 and name HD12))

ASSI {23112}

((segid “PROT” and resid 78 and name HG))

(segid “PROT” and resid 25 and name HG 2%)

3.600
3.200
1.900 peak
23112 weight
0.10000E + 01 volume
0.49400E + 00 ppm1
0.692 ppm2
1.066

OR {23112}

((segid “PROT” and resid 78 and name HG))

(segid “PROT” and resid 22 and name HD 2%)

ASSI {23352}

((segid “PROT” and resid 80 and name HB2))

((segid “PROT” and resid 54 and name HG1))

3.000
2.200
2.200 peak
23352 weight
0.10000E + 01 volume
0.13200E + 01 ppm1
1.939 ppm2
2.743

OR {23052}

((segid “PROT” and resid 80 and name HB2))

((segid “PROT” and resid 84 and name HB2))

ASSI {23462}

((segid “PROT” and resid 9 and name HB1))

((segid “PROT” and resid 8 and name HB1))

3.100
2.400
2.400 peak
23462 weight
0.10000E + 01 volume
0.12491E + 01 ppm1
1.884 ppm2
2.272

OR {23462}

((segid “PROT” and resid 54 and name HG2))

((segid “PROT” and resid 53 and name HB1))

OR {23462}

((segid “PROT” and resid 54 and name HG2))

((segid “PROT” and resid 53 and name HG1))

ASSI {23612}

((segid “PROT” and resid 19 and name HB1))

(segid “PROT” and resid 63 and name HD 2%)

3.300
2.700
2.200 peak
23612 weight
0.10000E + 01 volume
0.79450E + 00 ppm1
1.735 ppm2
1.082

OR {23612}

((segid “PROT” and resid 19 and name HB1))

(segid “PROT” and resid 22 and name HD 1%)

ASSI {23922}

((segid “PROT” and resid 29 and name HG1))

(segid “PROT” and resid 101 and name HG 2%)

3.500
3.100
2.000 peak
23922 weight
0.10000E + 01 volume
0.51310E + 00 ppm1
2.485 ppm2
1.021

OR {23922}

((segid “PROT” and resid 29 and name HG1))

(segid “PROT” and resid 101 and name HD 1%)

OR {23922}

((segid “PROT” and resid 23 and name HG2))

(segid “PROT” and resid 22 and name HD 2%)

ASSI {24012}

((segid “PROT” and resid 42 and name HG2))

((segid “PROT” and resid 39 and name HG2))

3.100
2.400
2.400 peak
24012 weight
0.10000E + 01 volume
0.10550E + 01 ppm1
2.255 ppm2
1.427

OR {24012}

((segid “PROT” and resid 112 and name HG2))

((segid “PROT” and resid 111 and name HG1))

OR {24012}

((segid “PROT” and resid 112 and name HD 2))

(segid “PROT” and resid 113 and name HB %)

OR {24012}

((segid “PROT” and resid 112 and name HG2))

((segid “PROT” and resid 109 and name HD1))

ASSI {24082}

(segid “PROT” and resid 21 and name HB))

(segid “PROT” and resid 115 and name HD 2%)

3.500
3.100
2.000 peak
24082 weight
0.10000E + 01 volume
0.53550E + 00 ppm1
1.950 ppm2
0.756

OR {24082}

((segid “PROT” and resid 21 and name HB))

(segid “PROT” and resid 115 and name HD 1%)

OR {24082}

((segid “PROT” and resid 21 and name HB))

((segid “PROT” and resid 78 and name HB1))

ASSI {24102}

((segid “PROT” and resid 21 and name HB))

((segid “PROT” and resid 24 and name HG2))

3.600
3.200
1.900 peak
24102 weight
0.10000E + 01 volume
0.48680E + 00 ppm1
1.951 ppm2
2.487

OR {24102}

((segid “PROT” and resid 21 and name HB))

((segid “PROT” and resid 109 and name HE2))

ASSI {24162}

((segid “PROT” and resid 77 and name HB1))

(segid “PROT” and resid 54 and name HE %)

3.500
3.100
2.000 peak
24162 weight
0.10000E + 01 volume
0.51230E + 00 ppm1
2.755 ppm2
2.010

OR {24162}

((segid “PROT” and resid 77 and name HB1))

((segid “PROT” and resid 80 and name HB1))

ASSI {24282}

((segid “PROT” and resid 116 and name HB))

((segid “PROT” and resid 6 and name HE1))

3.300
2.700
2.200 peak
24282 weight
0.10000E + 01 volume
0.80610E + ppm1
1.850 ppm2
2.995

OR {24282}

((segid “PROT” and resid 116 and name HB))

((segid “PROT” and resid 118 and name HE1))

ASSI {24302}

((segid “PROT” and resid 78 and name HB1))

((segid “PROT” and resid 82 and name HE %)

3.600
3.200
1.900 peak
24302 weight
0.10000E + 01 volume
0.45690E + 00 ppm1
0.738 ppm2
6.484

OR {24302}

((segid “PROT” and resid 78 and name HB1))

(segid “PROT” and resid 74 and name HD %)

ASSI {24332}

((segid “PROT” and resid 78 and name HB2))

(segid “PROT” and resid 74 and name HE %)

3.400
2.900
2.100 peak
24332 weight
0.10000E + 01 volume
0.89100E + 00 ppm1
0.472 ppm2
6.967

OR {24332}

((segid “PROT” and resid 78 and name HB2))

(segid “PROT” and resid 106 and name HD %)

ASSI {24362}

((segid “PROT” and resid 56 and name HB1))

(segid “PROT” and resid 25 and name HG 2%)

2.800
2.000
2.000 peak
24362 weight
0.10000E + 01 volume
0.23012E + 01 ppm1
2.119 ppm2
1.058

OR {24362}

((segid “PROT” and resid 56 and name HB1))

(segid “PROT” and resid 22 and name HD 2%)

ASSI {24392}

((segid “PROT” and resid 22 and name HB1))

(segid “PROT” and resid 59 and name HE %)

3.500
3.100
2.000 peak
24392 weight
0.10000E + 01 volume
0.54020E + 00 ppm1
2.130 ppm2
1.302

OR {24392}

(segid “PROT” and resid 22 and name HB1))

((segid “PROT” and resid 19 and name HG1))

ASSI {24862}

((segid “PROT” and resid 115 and name HA))

((segid “PROT” and resid 6 and name HG1))

3.400
2.900
2.100 peak
24862 weight
0.10000E + 01 volume
0.67380E + 00 ppm1
4.256 ppm2
1.408

OR {24862}

((segid “PROT” and resid 115 and name HA))

(segid “PROT” and resid 113 and name HB %)

OR {24862}

((segid “PROT” and resid 115 and name HA))

((segid “PROT” and resid 6 and name HG2))

ASSI {24932}

((segid “PROT” and resid 34 and name HA))

((segid “PROT” and resid 31 and name HA))

3.600
3.200
1.900 peak
24932 weight
0.10000E + 01 volume
0.49270E + 00 ppm1
5.003 ppm2
4.435

OR {24932}

((segid “PROT” and resid 34 and name HA))

((segid “PROT” and resid 32 and name HA))

ASSI {24952}

((segid “PROT” and resid 6 and name HA))

((segid “PROT” and resid 6 and name HE1))

2.900
2.100
2.100 peak
24952 weight
0.10000E + 01 volume
0.18164E + 01 ppm1
4.375 ppm2
3.042

OR {24952}

((segid “PROT” and resid 100 and name HA))

((segid “PROT” and resid 104 and name HE1))

ASSI {25012}

((segid “PROT” and resid 109 and name HA))

(segid “PROT” and resid 21 and name HD 1%)

3.000
2.200
2.200 peak
25012 weight
0.10000E + 01 volume
0.13055 + 01 ppm1
4.075 ppm2
0.676

OR {25012}

((segid “PROT” and resid 109 and name HA))

(segid “PROT” and resid 110 and name HG 2%)

ASSI {25392}

((segid “PROT” and resid 46 and name HA))

((segid “PROT” and resid 49 and name HB))

3.400
2.900
2.100 peak
25392 weight
0.10000E + 01 volume
0.60870E + 00 ppm1
3.501 ppm2
1.933

OR {25392}

((segid “PROT” and resid 46 and name HA))

((segid “PROT” and resid 53 and name HG2))

ASSI {25412}

((segid “PROT” and resid 20 and name HB1))

(segid “PROT” and resid 17 and name HD 2%)

3.000
2.200
2.200 peak
25412 weight
0.10000E + 01 volume
0.13236E + 01 ppm1
4.097 ppm2
1.183

OR {25412}

((segid “PROT” and resid 49 and name HA))

((segid “PROT” and resid 51 and name HB2))

ASSI {25482}

((segid “PROT” and resid 49 and name HA))

((segid “PROT” and resid 87 and name HB2))

3.300
2.700
2.200 peak
25482 weight
0.10000E + 01 volume
0.72460E + 00 ppm1
4.123 ppm2
2.071

OR {25482}

((segid “PROT” and resid 49 and name HA))

((segid “PROT” and resid 48 and name HB2))

OR (25482}

((segid “PROT” and resid 53 and name HA))

((segid “PROT” and resid 54 and name HB1))

ASSI {25492}

((segid “PROT” and resid 49 and name HA))

((segid “PROT” and resid 48 and name HG1))

3.000
2.200
2.200 peak
25492 weight
0.10000E + 01 volume
0.14540E + 01 ppm1
4.112 ppm2
2.353

OR {25492}

((segid “PROT” and resid 20 and name HB1))

((segid “PROT” and resid 23 and name HB1))

OR {25492}

((segid “PROT” and resid 53 and name HA)

((segid “PROT” and resid 46 and name HB2))

OR {25492}

((segid “PROT” and resid 53 and name HA))

((segid “PROT” and resid 55 and name HB1))

OR {25492}

((segid “PROT” and resid 41 and name HA))

((segid “PROT” and resid 42 and name HG1))

ASSI {25642}

((segid “PROT” and resid 21 and name HA))

((segid “PROT” and resid 20 and name HB1))

3.200
2.600
2.300 peak
25642 weight
0.10000E + 01 volume
0.90030E + 00 ppm1
3.800 ppm2
4.098

OR {25642}

((segid “PROT” and resid 21 and name HA))

((segid “PROT” and resid 109 and name HA))

ASSI {25682}

((segid “PROT” and resid 58 and name HA))

((segid “PROT” and resid 61 and name HG1))

3.000
2.200
2.200 peak
25682 weight
0.10000E + 01 volume
0.15120E + 01 ppm1
3.883 ppm2
2.443

OR {25682}

((segid “PROT” and resid 83 and name HA))

((segid “PROT” and resid 87 and name HG1))

ASSI {25902}

(segid “PROT” and resid 76 and name HB %)

(segid “PROT” and resid 73 and name HD 1%)

3.100
2.400
2.400 peak
25902 weight
0.10000E + 01 volume
0.11972E + 01 ppm1
1.533 ppm2
0.984

OR {25902}

(segid “PROT” and resid 76 and name HB %)

(segid “PROT” and resid 21 and name HG 2%)

ASSI {25912}

(segid “PROT” and resid 76 and name HB %)

((segid “PROT” and resid 74 and name HB 2))

3.700
3.400
1.800 peak
25912 weight
0.10000E + 01 volume
0.39640E + 00 ppm1
1.526 ppm2
2.462

OR {25912}

(segid “PROT” and resid 76 and name HB %)

((segid “PROT” and resid 79 and name HG1))

ASSI {26132}

(segid “PROT” and resid 113 and name HB %)

((segid “PROT” and resid 111 and name HB1))

3.500
3.100
2.000 peak
26132 weight
0.10000E + 01 volume
0.58100E + 00 ppm1
1.411 ppm2
1.932

OR {26132}

(segid “PROT” and resid 113 and name HB %)

((segid “PROT” and resid 8 and name HB2))

OR {26132}

(segid “PROT” and resid 113 and name HB %)

((segid “PROT” and resid 21 and name HB))

ASSI {26152}

((segid “PROT” and resid 93 and name HB 1))

((segid “PROT” and resid 94 and name HB1))

3.300
2.700
2.200 peak
26152 weight
0.10000E + 01 volume
0.77140E + 00 ppm1
3.864 ppm2
2.109

OR {26152}

((segid “PROT” and resid 93 and name HB1))

((segid “PROT” and resid 92 and name HB1))

ASSI {26482}

(segid “PROT” and resid 35 and name HE %)

((segid “PROT” and resid 27 and name HB1))

3.400
2.900
2.100 peak
26482 weight
0.10000E + 1 volume
0.70350E + 00 ppm1
2.213 ppm2
4.052

OR {26482}

(segid “PROT” and resid 35 and name HE %)

((segid “PROT” and resid 56 and name HA))

OR {26482}

(segid “PROT” and resid 35 and name HE %)

((segid “PROT” and resid 28 and name HA))

OR {26482}

(segid “PROT” and resid 35 and name HE %)

((segid “PROT” and resid 60 and name HB2))

ASSI {26502}

(segid “PROT” and resid 81 and name HG 1%)

(segid “PROT” and resid 56 and name HD 2%)

2.300
1.300
1.300 peak
26502 weight
0.10000E + 01 volume
0.62878E + 01 ppm1
0.506 ppm2
0.677

OR {26502}

(segid “PROT” and resid 81 and name HG 1%)

((segid “PROT” and resid 78 and name HG))

ASSI {26512}

(segid “PROT” and resid 116 and name HD 1%)

((segid “PROT” and resid 6 and name HG1))

2.800
2.000
2.000 peak
26512 weight
0.10000E + 01 volume
0.22365E + 01 ppm1
0.828 ppm2
1.429

OR {26512}

(segid “PROT” and resid 116 and name HD 1%)

((segid “PROT” and resid 6 and name HG2))

OR {26512}

(segid “PROT” and resid 116 and name HD 1%)

((segid “PROT” and resid 111 and name HG1))

ASSI {26702}

(segid “PROT” and resid 18 and name HD 2%)

(segid “PROT” and resid 75 and name HE %))

3.500
3.100
2.000 peak
26702 weight
0.10000E + 01 volume
0.52720E + 00 ppm1
−0.158 ppm2
2.088

OR {26702}

(segid “PROT” and resid 18 and name HD 2%)

((segid “PROT” and resid 22 and name HB1))

OR {26702}

(segid “PROT” and resid 18 and name HD 2%)

((segid “PROT” and resid 8 and name HG1))

ASSI {345}

((segid “PROT” and resid 87 and name HB2))

((segid “PROT” and resid 87 and name HB2))

3.100
2.400
2.400 peak
345 weight
0.10000E + 01 volume
0.11110E + 01 ppm1
2.075 ppm2
2.246

OR {345}

((segid “PROT” and resid 112 and name HB1))

((segid “PROT” and resid 112 and name HG2))

ASSI {3685}

((segid “PROT” and resid 87 and name HB1))

((segid “PROT” and resid 86 and name HA))

3.300
2.700
2.200 peak
365 weight
0.10000E + 01 volume
0.81740E + 00 ppm1
2.169 ppm2
4.226

OR {365}

((segid “PROT” and resid 87 and name HB1))

((segid “PROT” and resid 83 and name HB))

ASSI {395}

((segid “PROT” and resid 112 and name HB1))

((segid “PROT” and resid 108 and name HA))

3.400
2.800
2.100 peak
395 weight
0.10000E + 01 volume
0.70760E + 00 ppm1
2.075 ppm2
4.226

OR {395}

((segid “PROT” and resid 87 and name HB2))

((segid “PROT” and resid 86 and name HA))

ASSI {485}

((segid “PROT” and resid 19 and name HD1))

((segid “PROT” and resid 19 and name HE1))

3.000
2.200
2.200 peak
489 weight
0.10000E + 01 volume
0.13981E + 01 ppm1
1.618 ppm2
2.941

OR {485}

((segid “PROT” and resid 111 and name HD1))

((segid “PROT” and resid 111 and name HE1))

ASSI {176}

(segid “PROT” and resid 107 and name HD %)

((segid “PROT” and resid 111 and name HB1))

2.900
2.100
2.100 peak
176 weight
0.10000E + 01 volume
0.23424E + 01 ppm1
7.234 ppm2
1.923

OR {176}

(segid “PROT” and resid 107 and name HD %)

((segid “PROT” and resid 103 and name HG2))

OR {176}

(segid “PROT” and resid 105 and name HD %)

((segid “PROT” and resid 104 and name HB1))

Number	Name	Date	Kind
5837840	Crabtree et al.	Nov 1998	A
5858686	Schlessinger et al.	Jan 1999	A

	Number	Date	Country
Parent	09510314	Feb 2000	US
Child	09784553		US

ZA loops of bromodomains

Information

Patent Number

Date Filed

Date Issued

Inventors

Original Assignees

Examiners

Agents

CPC

US Classifications

Field of Search

US

International Classifications

Abstract

Description

Claims

CROSS-REFERENCE TO RELATED APPLICATIONS

US Referenced Citations (2)

Related Publications (1)

Continuation in Parts (1)