NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | item_count |
|
|
369150 |
1b9p   |
4481 | cing | recoord | 4-filtered-FRED | STAR | entry | full | 318 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1b9p
# This FRED archive file contains, for PDB entry <1b9p>:
#
# - Coordinates and sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the coordinates and NMR restraints share the same atom names,
# and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process and the filtering process
# used in creating these files, the NMR restraints information in these files
# may differ significantly from that in the originally deposited file. Other
# modifications could have occurred to the NMR restraints information, or data
# could have been lost because of parsing or conversion errors. The PDB file
# remains the authoritative reference for the atomic coordinates and the
# originally deposited restraints files remain the primary reference for these
# data.
#
# This file is generated at the BioMagResBank (BMRB) in collaboration with the
# PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and
# the CMBI/IMM group at the Radboud University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend,
# JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with
# curated sets of experimental NMR restraints for over 4,000 protein and nucleic
# acid PDB entries. (in preparation)
save_Conversion_project_for_entry_Name_1
_Study_list.Sf_category study_list
_Study_list.Entry_ID 1
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project for entry 1" NMR . 1 1
stop_
save_
save_originalConstraints_1
_Entry.Sf_category entry_information
_Entry.ID 1
_Entry.Title "Data for entry 1"
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Details .
save_
save_assembly_1b9p
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1b9p
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all free"
_Assembly.Molecular_mass 4015.72
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 . 1 $PROTEIN__COLLAGEN_ALPHA_1_ A . 1 1
stop_
save_
save_PROTEIN__COLLAGEN_ALPHA_1_
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "PROTEIN COLLAGEN ALPHA 1 "
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code CAVELRSPGISRFRRKIAKRSIKTLEHKRENAKE
_Entity.Number_of_monomers 34
loop_
_Entity_comp_index.ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 CYS . 1 1
2 ALA . 1 1
3 VAL . 1 1
4 GLU . 1 1
5 LEU . 1 1
6 ARG . 1 1
7 SER . 1 1
8 PRO . 1 1
9 GLY . 1 1
10 ILE . 1 1
11 SER . 1 1
12 ARG . 1 1
13 PHE . 1 1
14 ARG . 1 1
15 ARG . 1 1
16 LYS . 1 1
17 ILE . 1 1
18 ALA . 1 1
19 LYS . 1 1
20 ARG . 1 1
21 SER . 1 1
22 ILE . 1 1
23 LYS . 1 1
24 THR . 1 1
25 LEU . 1 1
26 GLU . 1 1
27 HIS . 1 1
28 LYS . 1 1
29 ARG . 1 1
30 GLU . 1 1
31 ASN . 1 1
32 ALA . 1 1
33 LYS . 1 1
34 GLU . 1 1
stop_
loop_
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
CYS 1 1 1 1
ALA 2 2 1 1
VAL 3 3 1 1
GLU 4 4 1 1
LEU 5 5 1 1
ARG 6 6 1 1
SER 7 7 1 1
PRO 8 8 1 1
GLY 9 9 1 1
ILE 10 10 1 1
SER 11 11 1 1
ARG 12 12 1 1
PHE 13 13 1 1
ARG 14 14 1 1
ARG 15 15 1 1
LYS 16 16 1 1
ILE 17 17 1 1
ALA 18 18 1 1
LYS 19 19 1 1
ARG 20 20 1 1
SER 21 21 1 1
ILE 22 22 1 1
LYS 23 23 1 1
THR 24 24 1 1
LEU 25 25 1 1
GLU 26 26 1 1
HIS 27 27 1 1
LYS 28 28 1 1
ARG 29 29 1 1
GLU 30 30 1 1
ASN 31 31 1 1
ALA 32 32 1 1
LYS 33 33 1 1
GLU 34 34 1 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
16 1 . . . 1 1
17 1 . . . 1 1
18 1 . . . 1 1
19 1 . . . 1 1
20 1 . . . 1 1
21 1 . . . 1 1
22 1 . . . 1 1
23 1 . . . 1 1
24 1 . . . 1 1
25 1 . . . 1 1
26 1 . . . 1 1
27 1 . . . 1 1
28 1 . . . 1 1
29 1 . . . 1 1
30 1 . . . 1 1
31 1 . . . 1 1
32 1 . . . 1 1
33 1 . . . 1 1
34 1 . . . 1 1
35 1 . . . 1 1
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40 1 . . . 1 1
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42 1 . . . 1 1
43 1 . . . 1 1
44 1 . . . 1 1
45 1 . . . 1 1
46 1 . . . 1 1
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48 1 . . . 1 1
49 1 . . . 1 1
50 1 . . . 1 1
51 1 . . . 1 1
52 1 . . . 1 1
53 1 . . . 1 1
54 1 . . . 1 1
55 1 . . . 1 1
56 1 . . . 1 1
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58 1 . . . 1 1
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60 1 . . . 1 1
61 1 . . . 1 1
62 1 . . . 1 1
63 1 . . . 1 1
64 1 . . . 1 1
65 1 . . . 1 1
66 1 . . . 1 1
67 1 . . . 1 1
68 1 . . . 1 1
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70 1 . . . 1 1
71 1 . . . 1 1
72 1 . . . 1 1
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74 1 . . . 1 1
75 1 . . . 1 1
76 1 . . . 1 1
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78 1 . . . 1 1
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80 1 . . . 1 1
81 1 . . . 1 1
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90 1 . . . 1 1
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92 1 . . . 1 1
93 1 . . . 1 1
94 1 . . . 1 1
95 1 . . . 1 1
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100 1 . . . 1 1
101 1 . . . 1 1
102 1 . . . 1 1
103 1 . . . 1 1
104 1 . . . 1 1
105 1 . . . 1 1
106 1 . . . 1 1
107 1 . . . 1 1
108 1 . . . 1 1
109 1 . . . 1 1
110 1 . . . 1 1
111 1 . . . 1 1
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131 1 . . . 1 1
132 1 . . . 1 1
133 1 . . . 1 1
134 1 . . . 1 1
135 1 . . . 1 1
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148 1 . . . 1 1
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162 1 . . . 1 1
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244 1 . . . 1 1
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310 1 . . . 1 1
311 1 . . . 1 1
312 1 . . . 1 1
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314 1 . . . 1 1
315 1 . . . 1 1
316 1 . . . 1 1
317 1 . . . 1 1
318 1 . . . 1 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 1 CYS HA . 1 . HA 1 1
1 1 2 1 1 2 ALA H . 2 . HN 1 1
2 1 1 1 1 1 CYS QB . 1 . HB# 1 1
2 1 2 1 1 4 GLU H . 4 . HN 1 1
3 1 1 1 1 2 ALA H . 2 . HN 1 1
3 1 2 1 1 2 ALA HA . 2 . HA 1 1
4 1 1 1 1 2 ALA H . 2 . HN 1 1
4 1 2 1 1 2 ALA MB . 2 . HB# 1 1
5 1 1 1 1 2 ALA H . 2 . HN 1 1
5 1 2 1 1 3 VAL H . 3 . HN 1 1
6 1 1 1 1 2 ALA HA . 2 . HA 1 1
6 1 2 1 1 3 VAL H . 3 . HN 1 1
7 1 1 1 1 2 ALA HA . 2 . HA 1 1
7 1 2 1 1 5 LEU MD1 . 5 . HD1# 1 1
8 1 1 1 1 2 ALA HA . 2 . HA 1 1
8 1 2 1 1 5 LEU MD2 . 5 . HD2# 1 1
9 1 1 1 1 2 ALA MB . 2 . HB# 1 1
9 1 2 1 1 3 VAL H . 3 . HN 1 1
10 1 1 1 1 2 ALA MB . 2 . HB# 1 1
10 1 2 1 1 4 GLU H . 4 . HN 1 1
11 1 1 1 1 3 VAL H . 3 . HN 1 1
11 1 2 1 1 3 VAL HA . 3 . HA 1 1
12 1 1 1 1 3 VAL H . 3 . HN 1 1
12 1 2 1 1 3 VAL HB . 3 . HB 1 1
13 1 1 1 1 3 VAL H . 3 . HN 1 1
13 1 2 1 1 3 VAL MG1 . 3 . HG1# 1 1
14 1 1 1 1 3 VAL H . 3 . HN 1 1
14 1 2 1 1 3 VAL MG2 . 3 . HG2# 1 1
15 1 1 1 1 3 VAL H . 3 . HN 1 1
15 1 2 1 1 4 GLU H . 4 . HN 1 1
16 1 1 1 1 3 VAL HA . 3 . HA 1 1
16 1 2 1 1 4 GLU H . 4 . HN 1 1
17 1 1 1 1 3 VAL HA . 3 . HA 1 1
17 1 2 1 1 6 ARG H . 6 . HN 1 1
18 1 1 1 1 3 VAL HA . 3 . HA 1 1
18 1 2 1 1 7 SER H . 7 . HN 1 1
19 1 1 1 1 3 VAL HB . 3 . HB 1 1
19 1 2 1 1 4 GLU H . 4 . HN 1 1
20 1 1 1 1 3 VAL MG1 . 3 . HG1# 1 1
20 1 2 1 1 4 GLU H . 4 . HN 1 1
21 1 1 1 1 3 VAL MG2 . 3 . HG2# 1 1
21 1 2 1 1 4 GLU H . 4 . HN 1 1
22 1 1 1 1 3 VAL MG2 . 3 . HG2# 1 1
22 1 2 1 1 4 GLU HA . 4 . HA 1 1
23 1 1 1 1 4 GLU H . 4 . HN 1 1
23 1 2 1 1 4 GLU QG . 4 . HG# 1 1
24 1 1 1 1 4 GLU H . 4 . HN 1 1
24 1 2 1 1 5 LEU H . 5 . HN 1 1
25 1 1 1 1 4 GLU HA . 4 . HA 1 1
25 1 2 1 1 5 LEU H . 5 . HN 1 1
26 1 1 1 1 4 GLU HA . 4 . HA 1 1
26 1 2 1 1 7 SER H . 7 . HN 1 1
27 1 1 1 1 4 GLU HB2 . 4 . HB2 1 1
27 1 2 1 1 5 LEU H . 5 . HN 1 1
28 1 1 1 1 4 GLU QG . 4 . HG# 1 1
28 1 2 1 1 5 LEU H . 5 . HN 1 1
29 1 1 1 1 4 GLU QG . 4 . HG# 1 1
29 1 2 1 1 6 ARG H . 6 . HN 1 1
30 1 1 1 1 5 LEU H . 5 . HN 1 1
30 1 2 1 1 5 LEU HA . 5 . HA 1 1
31 1 1 1 1 5 LEU H . 5 . HN 1 1
31 1 2 1 1 5 LEU HB2 . 5 . HB2 1 1
32 1 1 1 1 5 LEU H . 5 . HN 1 1
32 1 2 1 1 5 LEU HB3 . 5 . HB1 1 1
33 1 1 1 1 5 LEU H . 5 . HN 1 1
33 1 2 1 1 5 LEU HG . 5 . HG 1 1
34 1 1 1 1 5 LEU H . 5 . HN 1 1
34 1 2 1 1 6 ARG H . 6 . HN 1 1
35 1 1 1 1 5 LEU HA . 5 . HA 1 1
35 1 2 1 1 5 LEU HB2 . 5 . HB2 1 1
36 1 1 1 1 5 LEU HA . 5 . HA 1 1
36 1 2 1 1 5 LEU MD2 . 5 . HD2# 1 1
37 1 1 1 1 5 LEU HA . 5 . HA 1 1
37 1 2 1 1 6 ARG H . 6 . HN 1 1
38 1 1 1 1 5 LEU MD2 . 5 . HD2# 1 1
38 1 2 1 1 6 ARG H . 6 . HN 1 1
39 1 1 1 1 6 ARG H . 6 . HN 1 1
39 1 2 1 1 6 ARG HA . 6 . HA 1 1
40 1 1 1 1 6 ARG H . 6 . HN 1 1
40 1 2 1 1 6 ARG HB2 . 6 . HB2 1 1
41 1 1 1 1 6 ARG H . 6 . HN 1 1
41 1 2 1 1 6 ARG HB3 . 6 . HB1 1 1
42 1 1 1 1 6 ARG H . 6 . HN 1 1
42 1 2 1 1 6 ARG HG2 . 6 . HG2 1 1
43 1 1 1 1 6 ARG H . 6 . HN 1 1
43 1 2 1 1 6 ARG HG3 . 6 . HG1 1 1
44 1 1 1 1 6 ARG HA . 6 . HA 1 1
44 1 2 1 1 6 ARG HG2 . 6 . HG2 1 1
45 1 1 1 1 6 ARG HA . 6 . HA 1 1
45 1 2 1 1 7 SER H . 7 . HN 1 1
46 1 1 1 1 6 ARG HB2 . 6 . HB2 1 1
46 1 2 1 1 7 SER H . 7 . HN 1 1
47 1 1 1 1 6 ARG HB3 . 6 . HB1 1 1
47 1 2 1 1 7 SER H . 7 . HN 1 1
48 1 1 1 1 7 SER H . 7 . HN 1 1
48 1 2 1 1 7 SER QB . 7 . HB# 1 1
49 1 1 1 1 7 SER HA . 7 . HA 1 1
49 1 2 1 1 8 PRO HB2 . 8 . HB2 1 1
50 1 1 1 1 7 SER HA . 7 . HA 1 1
50 1 2 1 1 8 PRO HD2 . 8 . HD2 1 1
51 1 1 1 1 7 SER HA . 7 . HA 1 1
51 1 2 1 1 8 PRO HD3 . 8 . HD1 1 1
52 1 1 1 1 7 SER QB . 7 . HB# 1 1
52 1 2 1 1 8 PRO HD2 . 8 . HD2 1 1
53 1 1 1 1 7 SER QB . 7 . HB# 1 1
53 1 2 1 1 8 PRO HD3 . 8 . HD1 1 1
54 1 1 1 1 8 PRO HA . 8 . HA 1 1
54 1 2 1 1 8 PRO HB3 . 8 . HB1 1 1
55 1 1 1 1 8 PRO HA . 8 . HA 1 1
55 1 2 1 1 8 PRO QG . 8 . HG# 1 1
56 1 1 1 1 8 PRO HA . 8 . HA 1 1
56 1 2 1 1 9 GLY H . 9 . HN 1 1
57 1 1 1 1 8 PRO HA . 8 . HA 1 1
57 1 2 1 1 11 SER HB2 . 11 . HB2 1 1
58 1 1 1 1 8 PRO HA . 8 . HA 1 1
58 1 2 1 1 11 SER HB3 . 11 . HB1 1 1
59 1 1 1 1 8 PRO HB2 . 8 . HB2 1 1
59 1 2 1 1 9 GLY H . 9 . HN 1 1
60 1 1 1 1 9 GLY H . 9 . HN 1 1
60 1 2 1 1 10 ILE H . 10 . HN 1 1
61 1 1 1 1 9 GLY HA2 . 9 . HA2 1 1
61 1 2 1 1 10 ILE H . 10 . HN 1 1
62 1 1 1 1 9 GLY HA3 . 9 . HA1 1 1
62 1 2 1 1 10 ILE H . 10 . HN 1 1
63 1 1 1 1 10 ILE H . 10 . HN 1 1
63 1 2 1 1 10 ILE HA . 10 . HA 1 1
64 1 1 1 1 10 ILE H . 10 . HN 1 1
64 1 2 1 1 10 ILE QG . 10 . HG11 1 1
65 1 1 1 1 10 ILE H . 10 . HN 1 1
65 1 2 1 1 10 ILE MG . 10 . HG2# 1 1
66 1 1 1 1 10 ILE H . 10 . HN 1 1
66 1 2 1 1 11 SER H . 11 . HN 1 1
67 1 1 1 1 10 ILE HA . 10 . HA 1 1
67 1 2 1 1 10 ILE MG . 10 . HG2# 1 1
68 1 1 1 1 10 ILE HA . 10 . HA 1 1
68 1 2 1 1 13 PHE H . 13 . HN 1 1
69 1 1 1 1 10 ILE HA . 10 . HA 1 1
69 1 2 1 1 13 PHE QB . 13 . HB# 1 1
70 1 1 1 1 10 ILE HA . 10 . HA 1 1
70 1 2 1 1 13 PHE QD . 13 . HD* 1 1
71 1 1 1 1 10 ILE HA . 10 . HA 1 1
71 1 2 1 1 14 ARG H . 14 . HN 1 1
72 1 1 1 1 10 ILE HB . 10 . HB 1 1
72 1 2 1 1 10 ILE MD . 10 . HD# 1 1
73 1 1 1 1 10 ILE MD . 10 . HD# 1 1
73 1 2 1 1 11 SER HA . 11 . HA 1 1
74 1 1 1 1 10 ILE MD . 10 . HD# 1 1
74 1 2 1 1 11 SER HB2 . 11 . HB2 1 1
75 1 1 1 1 10 ILE MD . 10 . HD# 1 1
75 1 2 1 1 13 PHE QD . 13 . HD* 1 1
76 1 1 1 1 10 ILE QG . 10 . HG12 1 1
76 1 2 1 1 13 PHE QD . 13 . HD* 1 1
77 1 1 1 1 10 ILE QG . 10 . HG12 1 1
77 1 2 1 1 13 PHE HZ . 13 . HZ 1 1
78 1 1 1 1 10 ILE MG . 10 . HG2# 1 1
78 1 2 1 1 11 SER H . 11 . HN 1 1
79 1 1 1 1 10 ILE MG . 10 . HG2# 1 1
79 1 2 1 1 11 SER HA . 11 . HA 1 1
80 1 1 1 1 10 ILE MG . 10 . HG2# 1 1
80 1 2 1 1 11 SER HB2 . 11 . HB2 1 1
81 1 1 1 1 10 ILE MG . 10 . HG2# 1 1
81 1 2 1 1 13 PHE QB . 13 . HB# 1 1
82 1 1 1 1 10 ILE MG . 10 . HG2# 1 1
82 1 2 1 1 13 PHE QD . 13 . HD* 1 1
83 1 1 1 1 10 ILE MG . 10 . HG2# 1 1
83 1 2 1 1 13 PHE QE . 13 . HE* 1 1
84 1 1 1 1 10 ILE MG . 10 . HG2# 1 1
84 1 2 1 1 14 ARG H . 14 . HN 1 1
85 1 1 1 1 10 ILE MG . 10 . HG2# 1 1
85 1 2 1 1 14 ARG QD . 14 . HD# 1 1
86 1 1 1 1 11 SER H . 11 . HN 1 1
86 1 2 1 1 11 SER HA . 11 . HA 1 1
87 1 1 1 1 11 SER H . 11 . HN 1 1
87 1 2 1 1 11 SER HB2 . 11 . HB2 1 1
88 1 1 1 1 11 SER H . 11 . HN 1 1
88 1 2 1 1 11 SER HB3 . 11 . HB1 1 1
89 1 1 1 1 11 SER H . 11 . HN 1 1
89 1 2 1 1 12 ARG H . 12 . HN 1 1
90 1 1 1 1 11 SER HA . 11 . HA 1 1
90 1 2 1 1 12 ARG H . 12 . HN 1 1
91 1 1 1 1 11 SER HA . 11 . HA 1 1
91 1 2 1 1 14 ARG H . 14 . HN 1 1
92 1 1 1 1 11 SER HA . 11 . HA 1 1
92 1 2 1 1 14 ARG QB . 14 . HB# 1 1
93 1 1 1 1 11 SER HA . 11 . HA 1 1
93 1 2 1 1 14 ARG QD . 14 . HD# 1 1
94 1 1 1 1 11 SER HA . 11 . HA 1 1
94 1 2 1 1 15 ARG H . 15 . HN 1 1
95 1 1 1 1 11 SER HB2 . 11 . HB2 1 1
95 1 2 1 1 12 ARG H . 12 . HN 1 1
96 1 1 1 1 11 SER HB2 . 11 . HB2 1 1
96 1 2 1 1 14 ARG QD . 14 . HD# 1 1
97 1 1 1 1 11 SER HB3 . 11 . HB1 1 1
97 1 2 1 1 14 ARG QD . 14 . HD# 1 1
98 1 1 1 1 12 ARG H . 12 . HN 1 1
98 1 2 1 1 12 ARG HA . 12 . HA 1 1
99 1 1 1 1 12 ARG HA . 12 . HA 1 1
99 1 2 1 1 15 ARG H . 15 . HN 1 1
100 1 1 1 1 13 PHE H . 13 . HN 1 1
100 1 2 1 1 13 PHE HA . 13 . HA 1 1
101 1 1 1 1 13 PHE H . 13 . HN 1 1
101 1 2 1 1 13 PHE QD . 13 . HD* 1 1
102 1 1 1 1 13 PHE H . 13 . HN 1 1
102 1 2 1 1 14 ARG H . 14 . HN 1 1
103 1 1 1 1 13 PHE H . 13 . HN 1 1
103 1 2 1 1 15 ARG H . 15 . HN 1 1
104 1 1 1 1 13 PHE HA . 13 . HA 1 1
104 1 2 1 1 13 PHE QD . 13 . HD* 1 1
105 1 1 1 1 13 PHE HA . 13 . HA 1 1
105 1 2 1 1 14 ARG H . 14 . HN 1 1
106 1 1 1 1 13 PHE HA . 13 . HA 1 1
106 1 2 1 1 15 ARG H . 15 . HN 1 1
107 1 1 1 1 13 PHE HA . 13 . HA 1 1
107 1 2 1 1 16 LYS HB2 . 16 . HB2 1 1
108 1 1 1 1 13 PHE HA . 13 . HA 1 1
108 1 2 1 1 16 LYS HB3 . 16 . HB1 1 1
109 1 1 1 1 13 PHE QB . 13 . HB# 1 1
109 1 2 1 1 13 PHE QD . 13 . HD* 1 1
110 1 1 1 1 13 PHE QB . 13 . HB# 1 1
110 1 2 1 1 14 ARG H . 14 . HN 1 1
111 1 1 1 1 13 PHE QD . 13 . HD* 1 1
111 1 2 1 1 14 ARG HA . 14 . HA 1 1
112 1 1 1 1 13 PHE QD . 13 . HD* 1 1
112 1 2 1 1 14 ARG QB . 14 . HB# 1 1
113 1 1 1 1 13 PHE QD . 13 . HD* 1 1
113 1 2 1 1 17 ILE MD . 17 . HD# 1 1
114 1 1 1 1 13 PHE QE . 13 . HE* 1 1
114 1 2 1 1 17 ILE MD . 17 . HD# 1 1
115 1 1 1 1 13 PHE QE . 13 . HE* 1 1
115 1 2 1 1 17 ILE MG . 17 . HG2# 1 1
116 1 1 1 1 13 PHE HZ . 13 . HZ 1 1
116 1 2 1 1 17 ILE MD . 17 . HD# 1 1
117 1 1 1 1 13 PHE HZ . 13 . HZ 1 1
117 1 2 1 1 17 ILE MG . 17 . HG2# 1 1
118 1 1 1 1 14 ARG H . 14 . HN 1 1
118 1 2 1 1 14 ARG HA . 14 . HA 1 1
119 1 1 1 1 14 ARG H . 14 . HN 1 1
119 1 2 1 1 14 ARG QB . 14 . HB# 1 1
120 1 1 1 1 14 ARG H . 14 . HN 1 1
120 1 2 1 1 15 ARG H . 15 . HN 1 1
121 1 1 1 1 14 ARG H . 14 . HN 1 1
121 1 2 1 1 16 LYS H . 16 . HN 1 1
122 1 1 1 1 14 ARG HA . 14 . HA 1 1
122 1 2 1 1 15 ARG H . 15 . HN 1 1
123 1 1 1 1 14 ARG HA . 14 . HA 1 1
123 1 2 1 1 16 LYS H . 16 . HN 1 1
124 1 1 1 1 14 ARG HA . 14 . HA 1 1
124 1 2 1 1 17 ILE H . 17 . HN 1 1
125 1 1 1 1 14 ARG HA . 14 . HA 1 1
125 1 2 1 1 17 ILE HB . 17 . HB 1 1
126 1 1 1 1 14 ARG HA . 14 . HA 1 1
126 1 2 1 1 17 ILE MD . 17 . HD# 1 1
127 1 1 1 1 14 ARG HA . 14 . HA 1 1
127 1 2 1 1 17 ILE HG12 . 17 . HG12 1 1
128 1 1 1 1 14 ARG HA . 14 . HA 1 1
128 1 2 1 1 17 ILE HG13 . 17 . HG11 1 1
129 1 1 1 1 14 ARG HA . 14 . HA 1 1
129 1 2 1 1 17 ILE MG . 17 . HG2# 1 1
130 1 1 1 1 14 ARG HA . 14 . HA 1 1
130 1 2 1 1 18 ALA H . 18 . HN 1 1
131 1 1 1 1 14 ARG QB . 14 . HB# 1 1
131 1 2 1 1 17 ILE MD . 17 . HD# 1 1
132 1 1 1 1 15 ARG H . 15 . HN 1 1
132 1 2 1 1 15 ARG HA . 15 . HA 1 1
133 1 1 1 1 15 ARG H . 15 . HN 1 1
133 1 2 1 1 15 ARG HB2 . 15 . HB2 1 1
134 1 1 1 1 15 ARG H . 15 . HN 1 1
134 1 2 1 1 15 ARG QD . 15 . HD# 1 1
135 1 1 1 1 15 ARG H . 15 . HN 1 1
135 1 2 1 1 16 LYS H . 16 . HN 1 1
136 1 1 1 1 15 ARG H . 15 . HN 1 1
136 1 2 1 1 17 ILE H . 17 . HN 1 1
137 1 1 1 1 15 ARG HA . 15 . HA 1 1
137 1 2 1 1 17 ILE H . 17 . HN 1 1
138 1 1 1 1 15 ARG HA . 15 . HA 1 1
138 1 2 1 1 18 ALA H . 18 . HN 1 1
139 1 1 1 1 15 ARG HA . 15 . HA 1 1
139 1 2 1 1 18 ALA MB . 18 . HB# 1 1
140 1 1 1 1 16 LYS H . 16 . HN 1 1
140 1 2 1 1 17 ILE H . 17 . HN 1 1
141 1 1 1 1 16 LYS H . 16 . HN 1 1
141 1 2 1 1 18 ALA H . 18 . HN 1 1
142 1 1 1 1 16 LYS HA . 16 . HA 1 1
142 1 2 1 1 17 ILE H . 17 . HN 1 1
143 1 1 1 1 16 LYS HA . 16 . HA 1 1
143 1 2 1 1 19 LYS H . 19 . HN 1 1
144 1 1 1 1 16 LYS HA . 16 . HA 1 1
144 1 2 1 1 20 ARG H . 20 . HN 1 1
145 1 1 1 1 17 ILE H . 17 . HN 1 1
145 1 2 1 1 17 ILE HA . 17 . HA 1 1
146 1 1 1 1 17 ILE H . 17 . HN 1 1
146 1 2 1 1 17 ILE MD . 17 . HD# 1 1
147 1 1 1 1 17 ILE H . 17 . HN 1 1
147 1 2 1 1 17 ILE HG12 . 17 . HG12 1 1
148 1 1 1 1 17 ILE H . 17 . HN 1 1
148 1 2 1 1 17 ILE HG13 . 17 . HG11 1 1
149 1 1 1 1 17 ILE H . 17 . HN 1 1
149 1 2 1 1 18 ALA H . 18 . HN 1 1
150 1 1 1 1 17 ILE H . 17 . HN 1 1
150 1 2 1 1 19 LYS H . 19 . HN 1 1
151 1 1 1 1 17 ILE HA . 17 . HA 1 1
151 1 2 1 1 17 ILE MD . 17 . HD# 1 1
152 1 1 1 1 17 ILE HA . 17 . HA 1 1
152 1 2 1 1 17 ILE HG12 . 17 . HG12 1 1
153 1 1 1 1 17 ILE HA . 17 . HA 1 1
153 1 2 1 1 17 ILE HG13 . 17 . HG11 1 1
154 1 1 1 1 17 ILE HA . 17 . HA 1 1
154 1 2 1 1 17 ILE MG . 17 . HG2# 1 1
155 1 1 1 1 17 ILE HA . 17 . HA 1 1
155 1 2 1 1 18 ALA H . 18 . HN 1 1
156 1 1 1 1 17 ILE HA . 17 . HA 1 1
156 1 2 1 1 20 ARG H . 20 . HN 1 1
157 1 1 1 1 17 ILE HA . 17 . HA 1 1
157 1 2 1 1 20 ARG QB . 20 . HB# 1 1
158 1 1 1 1 17 ILE HA . 17 . HA 1 1
158 1 2 1 1 21 SER H . 21 . HN 1 1
159 1 1 1 1 17 ILE HB . 17 . HB 1 1
159 1 2 1 1 18 ALA H . 18 . HN 1 1
160 1 1 1 1 17 ILE MD . 17 . HD# 1 1
160 1 2 1 1 17 ILE MG . 17 . HG2# 1 1
161 1 1 1 1 17 ILE MG . 17 . HG2# 1 1
161 1 2 1 1 18 ALA H . 18 . HN 1 1
162 1 1 1 1 17 ILE MG . 17 . HG2# 1 1
162 1 2 1 1 18 ALA HA . 18 . HA 1 1
163 1 1 1 1 18 ALA H . 18 . HN 1 1
163 1 2 1 1 18 ALA HA . 18 . HA 1 1
164 1 1 1 1 18 ALA H . 18 . HN 1 1
164 1 2 1 1 18 ALA MB . 18 . HB# 1 1
165 1 1 1 1 18 ALA H . 18 . HN 1 1
165 1 2 1 1 19 LYS H . 19 . HN 1 1
166 1 1 1 1 18 ALA HA . 18 . HA 1 1
166 1 2 1 1 20 ARG H . 20 . HN 1 1
167 1 1 1 1 18 ALA HA . 18 . HA 1 1
167 1 2 1 1 21 SER H . 21 . HN 1 1
168 1 1 1 1 18 ALA MB . 18 . HB# 1 1
168 1 2 1 1 19 LYS H . 19 . HN 1 1
169 1 1 1 1 18 ALA MB . 18 . HB# 1 1
169 1 2 1 1 22 ILE MD . 22 . HD# 1 1
170 1 1 1 1 19 LYS H . 19 . HN 1 1
170 1 2 1 1 19 LYS HA . 19 . HA 1 1
171 1 1 1 1 19 LYS H . 19 . HN 1 1
171 1 2 1 1 19 LYS QB . 19 . HB# 1 1
172 1 1 1 1 19 LYS H . 19 . HN 1 1
172 1 2 1 1 19 LYS HD2 . 19 . HD2 1 1
173 1 1 1 1 19 LYS H . 19 . HN 1 1
173 1 2 1 1 19 LYS HD3 . 19 . HD1 1 1
174 1 1 1 1 19 LYS H . 19 . HN 1 1
174 1 2 1 1 20 ARG H . 20 . HN 1 1
175 1 1 1 1 19 LYS H . 19 . HN 1 1
175 1 2 1 1 21 SER H . 21 . HN 1 1
176 1 1 1 1 19 LYS HA . 19 . HA 1 1
176 1 2 1 1 19 LYS HD2 . 19 . HD2 1 1
177 1 1 1 1 19 LYS HA . 19 . HA 1 1
177 1 2 1 1 19 LYS HD3 . 19 . HD1 1 1
178 1 1 1 1 19 LYS HA . 19 . HA 1 1
178 1 2 1 1 20 ARG H . 20 . HN 1 1
179 1 1 1 1 19 LYS HA . 19 . HA 1 1
179 1 2 1 1 22 ILE H . 22 . HN 1 1
180 1 1 1 1 19 LYS HA . 19 . HA 1 1
180 1 2 1 1 22 ILE HB . 22 . HB 1 1
181 1 1 1 1 19 LYS HA . 19 . HA 1 1
181 1 2 1 1 22 ILE MD . 22 . HD# 1 1
182 1 1 1 1 19 LYS HA . 19 . HA 1 1
182 1 2 1 1 22 ILE MG . 22 . HG2# 1 1
183 1 1 1 1 20 ARG H . 20 . HN 1 1
183 1 2 1 1 20 ARG HA . 20 . HA 1 1
184 1 1 1 1 20 ARG H . 20 . HN 1 1
184 1 2 1 1 20 ARG QB . 20 . HB# 1 1
185 1 1 1 1 20 ARG H . 20 . HN 1 1
185 1 2 1 1 20 ARG HG2 . 20 . HG2 1 1
186 1 1 1 1 20 ARG H . 20 . HN 1 1
186 1 2 1 1 20 ARG HG3 . 20 . HG1 1 1
187 1 1 1 1 20 ARG H . 20 . HN 1 1
187 1 2 1 1 21 SER H . 21 . HN 1 1
188 1 1 1 1 20 ARG H . 20 . HN 1 1
188 1 2 1 1 22 ILE H . 22 . HN 1 1
189 1 1 1 1 20 ARG HA . 20 . HA 1 1
189 1 2 1 1 21 SER H . 21 . HN 1 1
190 1 1 1 1 20 ARG HA . 20 . HA 1 1
190 1 2 1 1 23 LYS QG . 23 . HG# 1 1
191 1 1 1 1 20 ARG HA . 20 . HA 1 1
191 1 2 1 1 24 THR H . 24 . HN 1 1
192 1 1 1 1 20 ARG QB . 20 . HB# 1 1
192 1 2 1 1 21 SER H . 21 . HN 1 1
193 1 1 1 1 21 SER H . 21 . HN 1 1
193 1 2 1 1 21 SER HB3 . 21 . HB1 1 1
194 1 1 1 1 21 SER H . 21 . HN 1 1
194 1 2 1 1 22 ILE H . 22 . HN 1 1
195 1 1 1 1 21 SER H . 21 . HN 1 1
195 1 2 1 1 23 LYS H . 23 . HN 1 1
196 1 1 1 1 21 SER HA . 21 . HA 1 1
196 1 2 1 1 21 SER HB2 . 21 . HB2 1 1
197 1 1 1 1 21 SER HA . 21 . HA 1 1
197 1 2 1 1 22 ILE H . 22 . HN 1 1
198 1 1 1 1 21 SER HA . 21 . HA 1 1
198 1 2 1 1 24 THR H . 24 . HN 1 1
199 1 1 1 1 21 SER HA . 21 . HA 1 1
199 1 2 1 1 24 THR HB . 24 . HB 1 1
200 1 1 1 1 21 SER HA . 21 . HA 1 1
200 1 2 1 1 24 THR MG . 24 . HG2# 1 1
201 1 1 1 1 21 SER HA . 21 . HA 1 1
201 1 2 1 1 25 LEU H . 25 . HN 1 1
202 1 1 1 1 21 SER HB2 . 21 . HB2 1 1
202 1 2 1 1 22 ILE H . 22 . HN 1 1
203 1 1 1 1 21 SER HB3 . 21 . HB1 1 1
203 1 2 1 1 22 ILE H . 22 . HN 1 1
204 1 1 1 1 22 ILE H . 22 . HN 1 1
204 1 2 1 1 22 ILE MD . 22 . HD# 1 1
205 1 1 1 1 22 ILE H . 22 . HN 1 1
205 1 2 1 1 22 ILE HG12 . 22 . HG12 1 1
206 1 1 1 1 22 ILE H . 22 . HN 1 1
206 1 2 1 1 22 ILE HG13 . 22 . HG11 1 1
207 1 1 1 1 22 ILE H . 22 . HN 1 1
207 1 2 1 1 23 LYS H . 23 . HN 1 1
208 1 1 1 1 22 ILE H . 22 . HN 1 1
208 1 2 1 1 24 THR H . 24 . HN 1 1
209 1 1 1 1 22 ILE HA . 22 . HA 1 1
209 1 2 1 1 22 ILE HG12 . 22 . HG12 1 1
210 1 1 1 1 22 ILE HA . 22 . HA 1 1
210 1 2 1 1 22 ILE HG13 . 22 . HG11 1 1
211 1 1 1 1 22 ILE HA . 22 . HA 1 1
211 1 2 1 1 22 ILE MG . 22 . HG2# 1 1
212 1 1 1 1 22 ILE HA . 22 . HA 1 1
212 1 2 1 1 23 LYS H . 23 . HN 1 1
213 1 1 1 1 22 ILE HA . 22 . HA 1 1
213 1 2 1 1 25 LEU H . 25 . HN 1 1
214 1 1 1 1 22 ILE HA . 22 . HA 1 1
214 1 2 1 1 25 LEU HB2 . 25 . HB2 1 1
215 1 1 1 1 22 ILE HA . 22 . HA 1 1
215 1 2 1 1 25 LEU HB3 . 25 . HB1 1 1
216 1 1 1 1 22 ILE HA . 22 . HA 1 1
216 1 2 1 1 25 LEU MD1 . 25 . HD1# 1 1
217 1 1 1 1 22 ILE HA . 22 . HA 1 1
217 1 2 1 1 25 LEU HG . 25 . HG 1 1
218 1 1 1 1 22 ILE HA . 22 . HA 1 1
218 1 2 1 1 26 GLU H . 26 . HN 1 1
219 1 1 1 1 22 ILE MG . 22 . HG2# 1 1
219 1 2 1 1 26 GLU HG2 . 26 . HG2 1 1
220 1 1 1 1 22 ILE MG . 22 . HG2# 1 1
220 1 2 1 1 26 GLU HG3 . 26 . HG1 1 1
221 1 1 1 1 23 LYS H . 23 . HN 1 1
221 1 2 1 1 23 LYS QG . 23 . HG# 1 1
222 1 1 1 1 23 LYS H . 23 . HN 1 1
222 1 2 1 1 24 THR H . 24 . HN 1 1
223 1 1 1 1 23 LYS HA . 23 . HA 1 1
223 1 2 1 1 23 LYS HB2 . 23 . HB2 1 1
224 1 1 1 1 23 LYS HA . 23 . HA 1 1
224 1 2 1 1 23 LYS QD . 23 . HD# 1 1
225 1 1 1 1 23 LYS HA . 23 . HA 1 1
225 1 2 1 1 26 GLU H . 26 . HN 1 1
226 1 1 1 1 23 LYS HA . 23 . HA 1 1
226 1 2 1 1 26 GLU HB2 . 26 . HB2 1 1
227 1 1 1 1 23 LYS HA . 23 . HA 1 1
227 1 2 1 1 26 GLU HB3 . 26 . HB1 1 1
228 1 1 1 1 23 LYS HA . 23 . HA 1 1
228 1 2 1 1 26 GLU HG2 . 26 . HG2 1 1
229 1 1 1 1 23 LYS HA . 23 . HA 1 1
229 1 2 1 1 26 GLU HG3 . 26 . HG1 1 1
230 1 1 1 1 23 LYS HA . 23 . HA 1 1
230 1 2 1 1 27 HIS H . 27 . HN 1 1
231 1 1 1 1 23 LYS HB2 . 23 . HB2 1 1
231 1 2 1 1 24 THR H . 24 . HN 1 1
232 1 1 1 1 23 LYS HB3 . 23 . HB1 1 1
232 1 2 1 1 24 THR H . 24 . HN 1 1
233 1 1 1 1 24 THR H . 24 . HN 1 1
233 1 2 1 1 24 THR HB . 24 . HB 1 1
234 1 1 1 1 24 THR H . 24 . HN 1 1
234 1 2 1 1 26 GLU H . 26 . HN 1 1
235 1 1 1 1 24 THR HA . 24 . HA 1 1
235 1 2 1 1 24 THR MG . 24 . HG2# 1 1
236 1 1 1 1 24 THR HA . 24 . HA 1 1
236 1 2 1 1 25 LEU H . 25 . HN 1 1
237 1 1 1 1 24 THR HA . 24 . HA 1 1
237 1 2 1 1 27 HIS H . 27 . HN 1 1
238 1 1 1 1 24 THR HA . 24 . HA 1 1
238 1 2 1 1 27 HIS HB2 . 27 . HB2 1 1
239 1 1 1 1 24 THR HA . 24 . HA 1 1
239 1 2 1 1 27 HIS HB3 . 27 . HB1 1 1
240 1 1 1 1 24 THR HB . 24 . HB 1 1
240 1 2 1 1 25 LEU H . 25 . HN 1 1
241 1 1 1 1 24 THR MG . 24 . HG2# 1 1
241 1 2 1 1 25 LEU H . 25 . HN 1 1
242 1 1 1 1 24 THR MG . 24 . HG2# 1 1
242 1 2 1 1 28 LYS QE . 28 . HE# 1 1
243 1 1 1 1 25 LEU H . 25 . HN 1 1
243 1 2 1 1 25 LEU HA . 25 . HA 1 1
244 1 1 1 1 25 LEU H . 25 . HN 1 1
244 1 2 1 1 25 LEU HB2 . 25 . HB2 1 1
245 1 1 1 1 25 LEU H . 25 . HN 1 1
245 1 2 1 1 25 LEU HB3 . 25 . HB1 1 1
246 1 1 1 1 25 LEU H . 25 . HN 1 1
246 1 2 1 1 25 LEU HG . 25 . HG 1 1
247 1 1 1 1 25 LEU H . 25 . HN 1 1
247 1 2 1 1 26 GLU H . 26 . HN 1 1
248 1 1 1 1 25 LEU H . 25 . HN 1 1
248 1 2 1 1 27 HIS H . 27 . HN 1 1
249 1 1 1 1 25 LEU HA . 25 . HA 1 1
249 1 2 1 1 25 LEU HB3 . 25 . HB1 1 1
250 1 1 1 1 25 LEU HA . 25 . HA 1 1
250 1 2 1 1 25 LEU HG . 25 . HG 1 1
251 1 1 1 1 25 LEU HA . 25 . HA 1 1
251 1 2 1 1 26 GLU H . 26 . HN 1 1
252 1 1 1 1 25 LEU HB2 . 25 . HB2 1 1
252 1 2 1 1 25 LEU MD1 . 25 . HD1# 1 1
253 1 1 1 1 25 LEU HB2 . 25 . HB2 1 1
253 1 2 1 1 25 LEU MD2 . 25 . HD2# 1 1
254 1 1 1 1 25 LEU HB2 . 25 . HB2 1 1
254 1 2 1 1 26 GLU H . 26 . HN 1 1
255 1 1 1 1 25 LEU HB3 . 25 . HB1 1 1
255 1 2 1 1 26 GLU H . 26 . HN 1 1
256 1 1 1 1 26 GLU H . 26 . HN 1 1
256 1 2 1 1 26 GLU HA . 26 . HA 1 1
257 1 1 1 1 26 GLU H . 26 . HN 1 1
257 1 2 1 1 26 GLU HB2 . 26 . HB2 1 1
258 1 1 1 1 26 GLU H . 26 . HN 1 1
258 1 2 1 1 26 GLU HB3 . 26 . HB1 1 1
259 1 1 1 1 26 GLU H . 26 . HN 1 1
259 1 2 1 1 26 GLU HG2 . 26 . HG2 1 1
260 1 1 1 1 26 GLU H . 26 . HN 1 1
260 1 2 1 1 26 GLU HG3 . 26 . HG1 1 1
261 1 1 1 1 26 GLU H . 26 . HN 1 1
261 1 2 1 1 27 HIS H . 27 . HN 1 1
262 1 1 1 1 26 GLU H . 26 . HN 1 1
262 1 2 1 1 28 LYS H . 28 . HN 1 1
263 1 1 1 1 26 GLU HA . 26 . HA 1 1
263 1 2 1 1 27 HIS H . 27 . HN 1 1
264 1 1 1 1 26 GLU HA . 26 . HA 1 1
264 1 2 1 1 28 LYS H . 28 . HN 1 1
265 1 1 1 1 26 GLU HA . 26 . HA 1 1
265 1 2 1 1 29 ARG H . 29 . HN 1 1
266 1 1 1 1 26 GLU HA . 26 . HA 1 1
266 1 2 1 1 29 ARG HG2 . 29 . HG2 1 1
267 1 1 1 1 26 GLU HA . 26 . HA 1 1
267 1 2 1 1 30 GLU H . 30 . HN 1 1
268 1 1 1 1 26 GLU HB2 . 26 . HB2 1 1
268 1 2 1 1 27 HIS H . 27 . HN 1 1
269 1 1 1 1 26 GLU HB3 . 26 . HB1 1 1
269 1 2 1 1 27 HIS H . 27 . HN 1 1
270 1 1 1 1 27 HIS H . 27 . HN 1 1
270 1 2 1 1 27 HIS HB2 . 27 . HB2 1 1
271 1 1 1 1 27 HIS H . 27 . HN 1 1
271 1 2 1 1 27 HIS HB3 . 27 . HB1 1 1
272 1 1 1 1 27 HIS H . 27 . HN 1 1
272 1 2 1 1 28 LYS H . 28 . HN 1 1
273 1 1 1 1 27 HIS HA . 27 . HA 1 1
273 1 2 1 1 28 LYS H . 28 . HN 1 1
274 1 1 1 1 27 HIS HA . 27 . HA 1 1
274 1 2 1 1 30 GLU H . 30 . HN 1 1
275 1 1 1 1 27 HIS HA . 27 . HA 1 1
275 1 2 1 1 30 GLU QB . 30 . HB# 1 1
276 1 1 1 1 27 HIS HA . 27 . HA 1 1
276 1 2 1 1 30 GLU QG . 30 . HG# 1 1
277 1 1 1 1 27 HIS HB2 . 27 . HB2 1 1
277 1 2 1 1 28 LYS H . 28 . HN 1 1
278 1 1 1 1 27 HIS HB3 . 27 . HB1 1 1
278 1 2 1 1 28 LYS H . 28 . HN 1 1
279 1 1 1 1 28 LYS H . 28 . HN 1 1
279 1 2 1 1 28 LYS HA . 28 . HA 1 1
280 1 1 1 1 28 LYS H . 28 . HN 1 1
280 1 2 1 1 28 LYS QB . 28 . HB# 1 1
281 1 1 1 1 28 LYS H . 28 . HN 1 1
281 1 2 1 1 28 LYS HD2 . 28 . HD2 1 1
282 1 1 1 1 28 LYS H . 28 . HN 1 1
282 1 2 1 1 28 LYS HD3 . 28 . HD1 1 1
283 1 1 1 1 28 LYS HA . 28 . HA 1 1
283 1 2 1 1 31 ASN H . 31 . HN 1 1
284 1 1 1 1 28 LYS HA . 28 . HA 1 1
284 1 2 1 1 31 ASN HB2 . 31 . HB2 1 1
285 1 1 1 1 28 LYS HA . 28 . HA 1 1
285 1 2 1 1 31 ASN HB3 . 31 . HB1 1 1
286 1 1 1 1 29 ARG H . 29 . HN 1 1
286 1 2 1 1 29 ARG HA . 29 . HA 1 1
287 1 1 1 1 29 ARG H . 29 . HN 1 1
287 1 2 1 1 29 ARG HB2 . 29 . HB2 1 1
288 1 1 1 1 29 ARG H . 29 . HN 1 1
288 1 2 1 1 29 ARG HB3 . 29 . HB1 1 1
289 1 1 1 1 29 ARG H . 29 . HN 1 1
289 1 2 1 1 29 ARG HG2 . 29 . HG2 1 1
290 1 1 1 1 29 ARG H . 29 . HN 1 1
290 1 2 1 1 29 ARG HG3 . 29 . HG1 1 1
291 1 1 1 1 29 ARG H . 29 . HN 1 1
291 1 2 1 1 30 GLU H . 30 . HN 1 1
292 1 1 1 1 29 ARG H . 29 . HN 1 1
292 1 2 1 1 31 ASN H . 31 . HN 1 1
293 1 1 1 1 29 ARG HA . 29 . HA 1 1
293 1 2 1 1 30 GLU H . 30 . HN 1 1
294 1 1 1 1 29 ARG HA . 29 . HA 1 1
294 1 2 1 1 32 ALA H . 32 . HN 1 1
295 1 1 1 1 29 ARG HA . 29 . HA 1 1
295 1 2 1 1 32 ALA MB . 32 . HB# 1 1
296 1 1 1 1 30 GLU H . 30 . HN 1 1
296 1 2 1 1 30 GLU HA . 30 . HA 1 1
297 1 1 1 1 30 GLU H . 30 . HN 1 1
297 1 2 1 1 30 GLU QB . 30 . HB# 1 1
298 1 1 1 1 30 GLU H . 30 . HN 1 1
298 1 2 1 1 30 GLU QG . 30 . HG# 1 1
299 1 1 1 1 30 GLU H . 30 . HN 1 1
299 1 2 1 1 31 ASN H . 31 . HN 1 1
300 1 1 1 1 30 GLU H . 30 . HN 1 1
300 1 2 1 1 32 ALA H . 32 . HN 1 1
301 1 1 1 1 30 GLU HA . 30 . HA 1 1
301 1 2 1 1 31 ASN H . 31 . HN 1 1
302 1 1 1 1 30 GLU QB . 30 . HB# 1 1
302 1 2 1 1 31 ASN H . 31 . HN 1 1
303 1 1 1 1 31 ASN H . 31 . HN 1 1
303 1 2 1 1 31 ASN HB2 . 31 . HB2 1 1
304 1 1 1 1 31 ASN H . 31 . HN 1 1
304 1 2 1 1 32 ALA H . 32 . HN 1 1
305 1 1 1 1 31 ASN HB2 . 31 . HB2 1 1
305 1 2 1 1 32 ALA H . 32 . HN 1 1
306 1 1 1 1 31 ASN HB3 . 31 . HB1 1 1
306 1 2 1 1 32 ALA H . 32 . HN 1 1
307 1 1 1 1 32 ALA H . 32 . HN 1 1
307 1 2 1 1 32 ALA MB . 32 . HB# 1 1
308 1 1 1 1 32 ALA HA . 32 . HA 1 1
308 1 2 1 1 33 LYS H . 33 . HN 1 1
309 1 1 1 1 32 ALA MB . 32 . HB# 1 1
309 1 2 1 1 33 LYS H . 33 . HN 1 1
310 1 1 1 1 33 LYS H . 33 . HN 1 1
310 1 2 1 1 33 LYS HA . 33 . HA 1 1
311 1 1 1 1 33 LYS H . 33 . HN 1 1
311 1 2 1 1 33 LYS QB . 33 . HB# 1 1
312 1 1 1 1 33 LYS H . 33 . HN 1 1
312 1 2 1 1 33 LYS HG3 . 33 . HG1 1 1
313 1 1 1 1 33 LYS H . 33 . HN 1 1
313 1 2 1 1 34 GLU H . 34 . HN 1 1
314 1 1 1 1 33 LYS QB . 33 . HB# 1 1
314 1 2 1 1 34 GLU H . 34 . HN 1 1
315 1 1 1 1 33 LYS QG . 33 . HG# 1 1
315 1 2 1 1 34 GLU H . 34 . HN 1 1
316 1 1 1 1 34 GLU H . 34 . HN 1 1
316 1 2 1 1 34 GLU HA . 34 . HA 1 1
317 1 1 1 1 34 GLU HA . 34 . HA 1 1
317 1 2 1 1 34 GLU HB2 . 34 . HB2 1 1
318 1 1 1 1 34 GLU HA . 34 . HA 1 1
318 1 2 1 1 34 GLU HB3 . 34 . HB1 1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 3.9 1.8 4.3 1 1
2 1 . . . . . 5.0 1.8 6.5 1 1
3 1 . . . . . 2.8 1.8 3.1 1 1
4 1 . . . . . 2.8 1.8 4.1 1 1
5 1 . . . . . 5.0 1.8 5.5 1 1
6 1 . . . . . 2.8 1.8 3.1 1 1
7 1 . . . . . 5.0 1.8 6.5 1 1
8 1 . . . . . 3.9 1.8 5.3 1 1
9 1 . . . . . 3.9 1.8 5.3 1 1
10 1 . . . . . 5.0 1.8 6.5 1 1
11 1 . . . . . 2.8 1.8 3.1 1 1
12 1 . . . . . 3.9 1.8 4.3 1 1
13 1 . . . . . 3.9 1.8 5.3 1 1
14 1 . . . . . 3.9 1.8 5.3 1 1
15 1 . . . . . 2.8 1.8 3.1 1 1
16 1 . . . . . 3.9 1.8 4.3 1 1
17 1 . . . . . 5.0 1.8 5.5 1 1
18 1 . . . . . 5.0 1.8 5.5 1 1
19 1 . . . . . 3.9 1.8 4.3 1 1
20 1 . . . . . 3.9 1.8 5.3 1 1
21 1 . . . . . 2.8 1.8 4.1 1 1
22 1 . . . . . 3.9 1.8 5.3 1 1
23 1 . . . . . 3.9 1.8 5.3 1 1
24 1 . . . . . 5.0 1.8 5.5 1 1
25 1 . . . . . 2.8 1.8 3.1 1 1
26 1 . . . . . 5.0 1.8 5.5 1 1
27 1 . . . . . 3.9 1.8 4.3 1 1
28 1 . . . . . 3.9 1.8 5.3 1 1
29 1 . . . . . 5.0 1.8 6.5 1 1
30 1 . . . . . 2.8 1.8 3.1 1 1
31 1 . . . . . 3.9 1.8 4.3 1 1
32 1 . . . . . 3.9 1.8 4.3 1 1
33 1 . . . . . 5.0 1.8 5.5 1 1
34 1 . . . . . 5.0 1.8 5.5 1 1
35 1 . . . . . 2.8 1.8 3.1 1 1
36 1 . . . . . 3.9 1.8 5.3 1 1
37 1 . . . . . 3.9 1.8 4.3 1 1
38 1 . . . . . 5.0 1.8 6.5 1 1
39 1 . . . . . 2.8 1.8 3.1 1 1
40 1 . . . . . 3.9 1.8 4.3 1 1
41 1 . . . . . 2.8 1.8 3.1 1 1
42 1 . . . . . 5.0 1.8 5.5 1 1
43 1 . . . . . 5.0 1.8 5.5 1 1
44 1 . . . . . 3.9 1.8 4.3 1 1
45 1 . . . . . 3.9 1.8 4.3 1 1
46 1 . . . . . 5.0 1.8 5.5 1 1
47 1 . . . . . 5.0 1.8 5.5 1 1
48 1 . . . . . 2.8 1.8 4.1 1 1
49 1 . . . . . 5.0 1.8 5.5 1 1
50 1 . . . . . 2.8 1.8 3.1 1 1
51 1 . . . . . 2.8 1.8 3.1 1 1
52 1 . . . . . 5.0 1.8 6.5 1 1
53 1 . . . . . 5.0 1.8 6.5 1 1
54 1 . . . . . 2.8 1.8 3.1 1 1
55 1 . . . . . 2.8 1.8 4.1 1 1
56 1 . . . . . 3.9 1.8 4.3 1 1
57 1 . . . . . 5.0 1.8 5.5 1 1
58 1 . . . . . 5.0 1.8 5.5 1 1
59 1 . . . . . 5.0 1.8 5.5 1 1
60 1 . . . . . 5.0 1.8 5.5 1 1
61 1 . . . . . 3.9 1.8 4.3 1 1
62 1 . . . . . 5.0 1.8 5.5 1 1
63 1 . . . . . 2.8 1.8 3.1 1 1
64 1 . . . . . 3.9 1.8 4.3 1 1
65 1 . . . . . 3.9 1.8 5.3 1 1
66 1 . . . . . 2.8 1.8 3.1 1 1
67 1 . . . . . 2.8 1.8 4.1 1 1
68 1 . . . . . 3.9 1.8 4.3 1 1
69 1 . . . . . 2.8 1.8 4.1 1 1
70 1 . . . . . 5.0 1.8 7.5 1 1
71 1 . . . . . 5.0 1.8 5.5 1 1
72 1 . . . . . 2.8 1.8 4.1 1 1
73 1 . . . . . 5.0 1.8 6.5 1 1
74 1 . . . . . 5.0 1.8 6.5 1 1
75 1 . . . . . 5.0 1.8 8.5 1 1
76 1 . . . . . 5.0 1.8 7.5 1 1
77 1 . . . . . 5.0 1.8 5.5 1 1
78 1 . . . . . 2.8 1.8 4.1 1 1
79 1 . . . . . 3.9 1.8 5.3 1 1
80 1 . . . . . 5.0 1.8 6.5 1 1
81 1 . . . . . 5.0 1.8 7.5 1 1
82 1 . . . . . 5.0 1.8 8.5 1 1
83 1 . . . . . 5.0 1.8 8.5 1 1
84 1 . . . . . 5.0 1.8 6.5 1 1
85 1 . . . . . 3.9 1.8 6.3 1 1
86 1 . . . . . 2.8 1.8 3.1 1 1
87 1 . . . . . 3.9 1.8 4.3 1 1
88 1 . . . . . 3.9 1.8 4.3 1 1
89 1 . . . . . 2.8 1.8 3.1 1 1
90 1 . . . . . 5.0 1.8 5.5 1 1
91 1 . . . . . 2.8 1.8 3.1 1 1
92 1 . . . . . 3.9 1.8 5.3 1 1
93 1 . . . . . 5.0 1.8 6.5 1 1
94 1 . . . . . 5.0 1.8 5.5 1 1
95 1 . . . . . 5.0 1.8 5.5 1 1
96 1 . . . . . 5.0 1.8 6.5 1 1
97 1 . . . . . 3.9 1.8 5.3 1 1
98 1 . . . . . 2.8 1.8 3.1 1 1
99 1 . . . . . 3.9 1.8 4.3 1 1
100 1 . . . . . 2.8 1.8 3.1 1 1
101 1 . . . . . 5.0 1.8 7.5 1 1
102 1 . . . . . 2.8 1.8 3.1 1 1
103 1 . . . . . 5.0 1.8 5.5 1 1
104 1 . . . . . 3.9 1.8 6.3 1 1
105 1 . . . . . 5.0 1.8 5.5 1 1
106 1 . . . . . 5.0 1.8 5.5 1 1
107 1 . . . . . 3.9 1.8 4.3 1 1
108 1 . . . . . 3.9 1.8 4.3 1 1
109 1 . . . . . 2.8 1.8 6.1 1 1
110 1 . . . . . 2.8 1.8 4.1 1 1
111 1 . . . . . 5.0 1.8 7.5 1 1
112 1 . . . . . 5.0 1.8 8.5 1 1
113 1 . . . . . 5.0 1.8 8.5 1 1
114 1 . . . . . 3.9 1.8 7.3 1 1
115 1 . . . . . 5.0 1.8 8.5 1 1
116 1 . . . . . 3.9 1.8 5.3 1 1
117 1 . . . . . 5.0 1.8 6.5 1 1
118 1 . . . . . 2.8 1.8 3.1 1 1
119 1 . . . . . 2.8 1.8 4.1 1 1
120 1 . . . . . 2.8 1.8 3.1 1 1
121 1 . . . . . 5.0 1.8 5.5 1 1
122 1 . . . . . 5.0 1.8 5.5 1 1
123 1 . . . . . 5.0 1.8 5.5 1 1
124 1 . . . . . 3.9 1.8 4.3 1 1
125 1 . . . . . 2.8 1.8 3.1 1 1
126 1 . . . . . 3.9 1.8 5.3 1 1
127 1 . . . . . 5.0 1.8 5.5 1 1
128 1 . . . . . 5.0 1.8 5.5 1 1
129 1 . . . . . 3.9 1.8 5.3 1 1
130 1 . . . . . 5.0 1.8 5.5 1 1
131 1 . . . . . 5.0 1.8 7.5 1 1
132 1 . . . . . 2.8 1.8 3.1 1 1
133 1 . . . . . 3.9 1.8 4.3 1 1
134 1 . . . . . 5.0 1.8 6.5 1 1
135 1 . . . . . 2.8 1.8 3.1 1 1
136 1 . . . . . 5.0 1.8 5.5 1 1
137 1 . . . . . 5.0 1.8 5.5 1 1
138 1 . . . . . 3.9 1.8 4.3 1 1
139 1 . . . . . 2.8 1.8 4.1 1 1
140 1 . . . . . 2.8 1.8 3.1 1 1
141 1 . . . . . 5.0 1.8 5.5 1 1
142 1 . . . . . 5.0 1.8 5.5 1 1
143 1 . . . . . 2.8 1.8 3.1 1 1
144 1 . . . . . 5.0 1.8 5.5 1 1
145 1 . . . . . 2.8 1.8 3.1 1 1
146 1 . . . . . 5.0 1.8 6.5 1 1
147 1 . . . . . 3.9 1.8 4.3 1 1
148 1 . . . . . 3.9 1.8 4.3 1 1
149 1 . . . . . 2.8 1.8 3.1 1 1
150 1 . . . . . 5.0 1.8 5.5 1 1
151 1 . . . . . 3.9 1.8 5.3 1 1
152 1 . . . . . 3.9 1.8 4.3 1 1
153 1 . . . . . 3.9 1.8 4.3 1 1
154 1 . . . . . 2.8 1.8 4.1 1 1
155 1 . . . . . 5.0 1.8 5.5 1 1
156 1 . . . . . 3.9 1.8 4.3 1 1
157 1 . . . . . 2.8 1.8 4.1 1 1
158 1 . . . . . 5.0 1.8 5.5 1 1
159 1 . . . . . 3.9 1.8 4.3 1 1
160 1 . . . . . 2.8 1.8 5.1 1 1
161 1 . . . . . 5.0 1.8 6.5 1 1
162 1 . . . . . 5.0 1.8 6.5 1 1
163 1 . . . . . 2.8 1.8 3.1 1 1
164 1 . . . . . 2.8 1.8 4.1 1 1
165 1 . . . . . 2.8 1.8 3.1 1 1
166 1 . . . . . 5.0 1.8 5.5 1 1
167 1 . . . . . 2.8 1.8 3.1 1 1
168 1 . . . . . 2.8 1.8 4.1 1 1
169 1 . . . . . 5.0 1.8 7.5 1 1
170 1 . . . . . 2.8 1.8 3.1 1 1
171 1 . . . . . 2.8 1.8 4.1 1 1
172 1 . . . . . 5.0 1.8 5.5 1 1
173 1 . . . . . 5.0 1.8 5.5 1 1
174 1 . . . . . 2.8 1.8 3.1 1 1
175 1 . . . . . 5.0 1.8 5.5 1 1
176 1 . . . . . 5.0 1.8 5.5 1 1
177 1 . . . . . 5.0 1.8 5.5 1 1
178 1 . . . . . 5.0 1.8 5.5 1 1
179 1 . . . . . 3.9 1.8 4.3 1 1
180 1 . . . . . 2.8 1.8 3.1 1 1
181 1 . . . . . 3.9 1.8 5.3 1 1
182 1 . . . . . 5.0 1.8 6.5 1 1
183 1 . . . . . 2.8 1.8 3.1 1 1
184 1 . . . . . 2.8 1.8 4.1 1 1
185 1 . . . . . 5.0 1.8 5.5 1 1
186 1 . . . . . 5.0 1.8 5.5 1 1
187 1 . . . . . 2.8 1.8 3.1 1 1
188 1 . . . . . 5.0 1.8 5.5 1 1
189 1 . . . . . 5.0 1.8 5.5 1 1
190 1 . . . . . 5.0 1.8 6.5 1 1
191 1 . . . . . 5.0 1.8 5.5 1 1
192 1 . . . . . 2.8 1.8 4.1 1 1
193 1 . . . . . 3.9 1.8 4.3 1 1
194 1 . . . . . 2.8 1.8 3.1 1 1
195 1 . . . . . 5.0 1.8 5.5 1 1
196 1 . . . . . 2.8 1.8 3.1 1 1
197 1 . . . . . 3.9 1.8 4.3 1 1
198 1 . . . . . 5.0 1.8 5.5 1 1
199 1 . . . . . 5.0 1.8 5.5 1 1
200 1 . . . . . 5.0 1.8 6.5 1 1
201 1 . . . . . 5.0 1.8 5.5 1 1
202 1 . . . . . 5.0 1.8 5.5 1 1
203 1 . . . . . 5.0 1.8 5.5 1 1
204 1 . . . . . 5.0 1.8 6.5 1 1
205 1 . . . . . 5.0 1.8 5.5 1 1
206 1 . . . . . 3.9 1.8 4.3 1 1
207 1 . . . . . 2.8 1.8 3.1 1 1
208 1 . . . . . 5.0 1.8 5.5 1 1
209 1 . . . . . 3.9 1.8 4.3 1 1
210 1 . . . . . 3.9 1.8 4.3 1 1
211 1 . . . . . 2.8 1.8 4.1 1 1
212 1 . . . . . 3.9 1.8 4.3 1 1
213 1 . . . . . 5.0 1.8 5.5 1 1
214 1 . . . . . 2.8 1.8 3.1 1 1
215 1 . . . . . 2.8 1.8 3.1 1 1
216 1 . . . . . 5.0 1.8 6.5 1 1
217 1 . . . . . 5.0 1.8 5.5 1 1
218 1 . . . . . 5.0 1.8 5.5 1 1
219 1 . . . . . 5.0 1.8 6.5 1 1
220 1 . . . . . 5.0 1.8 6.5 1 1
221 1 . . . . . 3.9 1.8 5.3 1 1
222 1 . . . . . 2.8 1.8 3.1 1 1
223 1 . . . . . 2.8 1.8 3.1 1 1
224 1 . . . . . 3.9 1.8 5.3 1 1
225 1 . . . . . 5.0 1.8 5.5 1 1
226 1 . . . . . 3.9 1.8 4.3 1 1
227 1 . . . . . 3.9 1.8 4.3 1 1
228 1 . . . . . 5.0 1.8 5.5 1 1
229 1 . . . . . 5.0 1.8 5.5 1 1
230 1 . . . . . 5.0 1.8 5.5 1 1
231 1 . . . . . 3.9 1.8 4.3 1 1
232 1 . . . . . 3.9 1.8 4.3 1 1
233 1 . . . . . 3.9 1.8 4.3 1 1
234 1 . . . . . 5.0 1.8 5.5 1 1
235 1 . . . . . 2.8 1.8 4.1 1 1
236 1 . . . . . 3.9 1.8 4.3 1 1
237 1 . . . . . 5.0 1.8 5.5 1 1
238 1 . . . . . 5.0 1.8 5.5 1 1
239 1 . . . . . 5.0 1.8 5.5 1 1
240 1 . . . . . 3.9 1.8 4.3 1 1
241 1 . . . . . 3.9 1.8 5.3 1 1
242 1 . . . . . 5.0 1.8 7.5 1 1
243 1 . . . . . 2.8 1.8 3.1 1 1
244 1 . . . . . 3.9 1.8 4.3 1 1
245 1 . . . . . 3.9 1.8 4.3 1 1
246 1 . . . . . 3.9 1.8 4.3 1 1
247 1 . . . . . 2.8 1.8 3.1 1 1
248 1 . . . . . 5.0 1.8 5.5 1 1
249 1 . . . . . 2.8 1.8 3.1 1 1
250 1 . . . . . 3.9 1.8 4.3 1 1
251 1 . . . . . 5.0 1.8 5.5 1 1
252 1 . . . . . 2.8 1.8 4.1 1 1
253 1 . . . . . 2.8 1.8 4.1 1 1
254 1 . . . . . 5.0 1.8 5.5 1 1
255 1 . . . . . 3.9 1.8 4.3 1 1
256 1 . . . . . 2.8 1.8 3.1 1 1
257 1 . . . . . 3.9 1.8 4.3 1 1
258 1 . . . . . 3.9 1.8 4.3 1 1
259 1 . . . . . 5.0 1.8 5.5 1 1
260 1 . . . . . 5.0 1.8 5.5 1 1
261 1 . . . . . 3.9 1.8 4.3 1 1
262 1 . . . . . 5.0 1.8 5.5 1 1
263 1 . . . . . 3.9 1.8 4.3 1 1
264 1 . . . . . 5.0 1.8 5.5 1 1
265 1 . . . . . 5.0 1.8 5.5 1 1
266 1 . . . . . 5.0 1.8 5.5 1 1
267 1 . . . . . 5.0 1.8 5.5 1 1
268 1 . . . . . 5.0 1.8 5.5 1 1
269 1 . . . . . 3.9 1.8 4.3 1 1
270 1 . . . . . 3.9 1.8 4.3 1 1
271 1 . . . . . 3.9 1.8 4.3 1 1
272 1 . . . . . 3.9 1.8 4.3 1 1
273 1 . . . . . 5.0 1.8 5.5 1 1
274 1 . . . . . 5.0 1.8 5.5 1 1
275 1 . . . . . 3.9 1.8 5.3 1 1
276 1 . . . . . 5.0 1.8 6.5 1 1
277 1 . . . . . 5.0 1.8 5.5 1 1
278 1 . . . . . 5.0 1.8 5.5 1 1
279 1 . . . . . 2.8 1.8 3.1 1 1
280 1 . . . . . 2.8 1.8 4.1 1 1
281 1 . . . . . 5.0 1.8 5.5 1 1
282 1 . . . . . 5.0 1.8 5.5 1 1
283 1 . . . . . 5.0 1.8 5.5 1 1
284 1 . . . . . 5.0 1.8 5.5 1 1
285 1 . . . . . 5.0 1.8 5.5 1 1
286 1 . . . . . 2.8 1.8 3.1 1 1
287 1 . . . . . 3.9 1.8 4.3 1 1
288 1 . . . . . 3.9 1.8 4.3 1 1
289 1 . . . . . 5.0 1.8 5.5 1 1
290 1 . . . . . 5.0 1.8 5.5 1 1
291 1 . . . . . 2.8 1.8 3.1 1 1
292 1 . . . . . 5.0 1.8 5.5 1 1
293 1 . . . . . 5.0 1.8 5.5 1 1
294 1 . . . . . 5.0 1.8 5.5 1 1
295 1 . . . . . 2.8 1.8 4.1 1 1
296 1 . . . . . 2.8 1.8 3.1 1 1
297 1 . . . . . 2.8 1.8 4.1 1 1
298 1 . . . . . 3.9 1.8 5.3 1 1
299 1 . . . . . 2.8 1.8 3.1 1 1
300 1 . . . . . 5.0 1.8 5.5 1 1
301 1 . . . . . 3.9 1.8 4.3 1 1
302 1 . . . . . 3.9 1.8 5.3 1 1
303 1 . . . . . 3.9 1.8 4.3 1 1
304 1 . . . . . 2.8 1.8 3.1 1 1
305 1 . . . . . 5.0 1.8 5.5 1 1
306 1 . . . . . 5.0 1.8 5.5 1 1
307 1 . . . . . 2.8 1.8 4.1 1 1
308 1 . . . . . 3.9 1.8 4.3 1 1
309 1 . . . . . 2.8 1.8 4.1 1 1
310 1 . . . . . 2.8 1.8 3.1 1 1
311 1 . . . . . 2.8 1.8 4.1 1 1
312 1 . . . . . 5.0 1.8 5.5 1 1
313 1 . . . . . 5.0 1.8 5.5 1 1
314 1 . . . . . 3.9 1.8 5.3 1 1
315 1 . . . . . 5.0 1.8 6.5 1 1
316 1 . . . . . 2.8 1.8 3.1 1 1
317 1 . . . . . 2.8 1.8 3.1 1 1
318 1 . . . . . 2.8 1.8 3.1 1 1
stop_
save_
save_conformer_family_coord_set_1
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Entry_ID 1
_Conformer_family_coord_set.ID 1
loop_
_Atom_site.Model_ID
_Atom_site.ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Occupancy
_Atom_site.Uncertainty
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
1 1 1 1 1 CYS C C -22.786 5.345 5.449 1.00 . A A . 1 CYS C 1 1
1 2 1 1 1 CYS CA C -23.838 6.461 5.494 1.00 . A A . 1 CYS CA 1 1
1 3 1 1 1 CYS CB C -25.060 6.097 4.640 1.00 . A A . 1 CYS CB 1 1
1 4 1 1 1 CYS H1 H -22.908 7.542 3.966 1.00 . A A . 1 CYS H1 1 1
1 5 1 1 1 CYS H2 H -24.029 8.449 4.870 1.00 . A A . 1 CYS H2 1 1
1 6 1 1 1 CYS H3 H -22.516 8.073 5.530 1.00 . A A . 1 CYS H3 1 1
1 7 1 1 1 CYS HA H -24.152 6.627 6.514 1.00 . A A . 1 CYS HA 1 1
1 8 1 1 1 CYS HB2 H -24.908 6.431 3.625 1.00 . A A . 1 CYS HB2 1 1
1 9 1 1 1 CYS HB3 H -25.201 5.025 4.645 1.00 . A A . 1 CYS HB3 1 1
1 10 1 1 1 CYS HG H -26.624 7.759 4.904 1.00 . A A . 1 CYS HG 1 1
1 11 1 1 1 CYS N N -23.284 7.726 4.920 1.00 . A A . 1 CYS N 1 1
1 12 1 1 1 CYS O O -21.826 5.419 4.700 1.00 . A A . 1 CYS O 1 1
1 13 1 1 1 CYS SG S -26.538 6.897 5.318 1.00 . A A . 1 CYS SG 1 1
1 14 1 1 2 ALA C C -22.085 2.364 4.975 1.00 . A A . 2 ALA C 1 1
1 15 1 1 2 ALA CA C -21.993 3.182 6.271 1.00 . A A . 2 ALA CA 1 1
1 16 1 1 2 ALA CB C -22.369 2.322 7.481 1.00 . A A . 2 ALA CB 1 1
1 17 1 1 2 ALA H H -23.753 4.294 6.832 1.00 . A A . 2 ALA H 1 1
1 18 1 1 2 ALA HA H -20.991 3.564 6.403 1.00 . A A . 2 ALA HA 1 1
1 19 1 1 2 ALA HB1 H -22.564 2.957 8.333 1.00 . A A . 2 ALA HB1 1 1
1 20 1 1 2 ALA HB2 H -23.252 1.744 7.252 1.00 . A A . 2 ALA HB2 1 1
1 21 1 1 2 ALA HB3 H -21.554 1.654 7.712 1.00 . A A . 2 ALA HB3 1 1
1 22 1 1 2 ALA N N -22.968 4.318 6.246 1.00 . A A . 2 ALA N 1 1
1 23 1 1 2 ALA O O -23.145 2.256 4.384 1.00 . A A . 2 ALA O 1 1
1 24 1 1 3 VAL C C -20.663 -0.483 3.631 1.00 . A A . 3 VAL C 1 1
1 25 1 1 3 VAL CA C -20.981 0.978 3.289 1.00 . A A . 3 VAL CA 1 1
1 26 1 1 3 VAL CB C -19.962 1.614 2.323 1.00 . A A . 3 VAL CB 1 1
1 27 1 1 3 VAL CG1 C -20.491 2.970 1.851 1.00 . A A . 3 VAL CG1 1 1
1 28 1 1 3 VAL CG2 C -18.589 1.819 2.981 1.00 . A A . 3 VAL CG2 1 1
1 29 1 1 3 VAL H H -20.153 1.905 5.049 1.00 . A A . 3 VAL H 1 1
1 30 1 1 3 VAL HA H -21.965 1.014 2.844 1.00 . A A . 3 VAL HA 1 1
1 31 1 1 3 VAL HB H -19.861 0.970 1.460 1.00 . A A . 3 VAL HB 1 1
1 32 1 1 3 VAL HG11 H -21.506 2.855 1.499 1.00 . A A . 3 VAL HG11 1 1
1 33 1 1 3 VAL HG12 H -20.472 3.671 2.674 1.00 . A A . 3 VAL HG12 1 1
1 34 1 1 3 VAL HG13 H -19.872 3.341 1.049 1.00 . A A . 3 VAL HG13 1 1
1 35 1 1 3 VAL HG21 H -18.406 1.031 3.697 1.00 . A A . 3 VAL HG21 1 1
1 36 1 1 3 VAL HG22 H -17.822 1.798 2.221 1.00 . A A . 3 VAL HG22 1 1
1 37 1 1 3 VAL HG23 H -18.568 2.776 3.483 1.00 . A A . 3 VAL HG23 1 1
1 38 1 1 3 VAL N N -20.985 1.795 4.543 1.00 . A A . 3 VAL N 1 1
1 39 1 1 3 VAL O O -19.626 -1.019 3.278 1.00 . A A . 3 VAL O 1 1
1 40 1 1 4 GLU C C -20.250 -2.808 5.691 1.00 . A A . 4 GLU C 1 1
1 41 1 1 4 GLU CA C -21.456 -2.550 4.766 1.00 . A A . 4 GLU CA 1 1
1 42 1 1 4 GLU CB C -21.329 -3.398 3.492 1.00 . A A . 4 GLU CB 1 1
1 43 1 1 4 GLU CD C -23.536 -4.408 2.886 1.00 . A A . 4 GLU CD 1 1
1 44 1 1 4 GLU CG C -22.573 -3.253 2.607 1.00 . A A . 4 GLU CG 1 1
1 45 1 1 4 GLU H H -22.392 -0.629 4.586 1.00 . A A . 4 GLU H 1 1
1 46 1 1 4 GLU HA H -22.360 -2.844 5.275 1.00 . A A . 4 GLU HA 1 1
1 47 1 1 4 GLU HB2 H -20.457 -3.092 2.934 1.00 . A A . 4 GLU HB2 1 1
1 48 1 1 4 GLU HB3 H -21.218 -4.435 3.774 1.00 . A A . 4 GLU HB3 1 1
1 49 1 1 4 GLU HG2 H -23.064 -2.314 2.815 1.00 . A A . 4 GLU HG2 1 1
1 50 1 1 4 GLU HG3 H -22.280 -3.281 1.569 1.00 . A A . 4 GLU HG3 1 1
1 51 1 1 4 GLU N N -21.580 -1.115 4.331 1.00 . A A . 4 GLU N 1 1
1 52 1 1 4 GLU O O -19.916 -3.955 5.927 1.00 . A A . 4 GLU O 1 1
1 53 1 1 4 GLU OE1 O -23.374 -5.458 2.283 1.00 . A A . 4 GLU OE1 1 1
1 54 1 1 4 GLU OE2 O -24.419 -4.218 3.705 1.00 . A A . 4 GLU OE2 1 1
1 55 1 1 5 LEU C C -17.287 -2.778 6.458 1.00 . A A . 5 LEU C 1 1
1 56 1 1 5 LEU CA C -18.409 -1.949 7.115 1.00 . A A . 5 LEU CA 1 1
1 57 1 1 5 LEU CB C -18.942 -2.606 8.401 1.00 . A A . 5 LEU CB 1 1
1 58 1 1 5 LEU CD1 C -17.443 -1.217 9.881 1.00 . A A . 5 LEU CD1 1 1
1 59 1 1 5 LEU CD2 C -19.735 -0.392 9.307 1.00 . A A . 5 LEU CD2 1 1
1 60 1 1 5 LEU CG C -18.886 -1.638 9.591 1.00 . A A . 5 LEU CG 1 1
1 61 1 1 5 LEU H H -19.888 -0.875 6.003 1.00 . A A . 5 LEU H 1 1
1 62 1 1 5 LEU HA H -18.018 -0.975 7.363 1.00 . A A . 5 LEU HA 1 1
1 63 1 1 5 LEU HB2 H -19.966 -2.913 8.249 1.00 . A A . 5 LEU HB2 1 1
1 64 1 1 5 LEU HB3 H -18.347 -3.480 8.631 1.00 . A A . 5 LEU HB3 1 1
1 65 1 1 5 LEU HD11 H -16.779 -2.048 9.690 1.00 . A A . 5 LEU HD11 1 1
1 66 1 1 5 LEU HD12 H -17.172 -0.387 9.247 1.00 . A A . 5 LEU HD12 1 1
1 67 1 1 5 LEU HD13 H -17.358 -0.922 10.916 1.00 . A A . 5 LEU HD13 1 1
1 68 1 1 5 LEU HD21 H -20.700 -0.692 8.926 1.00 . A A . 5 LEU HD21 1 1
1 69 1 1 5 LEU HD22 H -19.869 0.165 10.223 1.00 . A A . 5 LEU HD22 1 1
1 70 1 1 5 LEU HD23 H -19.235 0.229 8.578 1.00 . A A . 5 LEU HD23 1 1
1 71 1 1 5 LEU HG H -19.278 -2.144 10.461 1.00 . A A . 5 LEU HG 1 1
1 72 1 1 5 LEU N N -19.597 -1.785 6.210 1.00 . A A . 5 LEU N 1 1
1 73 1 1 5 LEU O O -16.474 -3.367 7.148 1.00 . A A . 5 LEU O 1 1
1 74 1 1 6 ARG C C -15.994 -2.926 3.033 1.00 . A A . 6 ARG C 1 1
1 75 1 1 6 ARG CA C -16.189 -3.596 4.402 1.00 . A A . 6 ARG CA 1 1
1 76 1 1 6 ARG CB C -16.736 -5.032 4.303 1.00 . A A . 6 ARG CB 1 1
1 77 1 1 6 ARG CD C -16.081 -7.438 4.529 1.00 . A A . 6 ARG CD 1 1
1 78 1 1 6 ARG CG C -15.608 -6.048 4.079 1.00 . A A . 6 ARG CG 1 1
1 79 1 1 6 ARG CZ C -16.797 -9.101 2.903 1.00 . A A . 6 ARG CZ 1 1
1 80 1 1 6 ARG H H -17.903 -2.334 4.622 1.00 . A A . 6 ARG H 1 1
1 81 1 1 6 ARG HA H -15.258 -3.585 4.951 1.00 . A A . 6 ARG HA 1 1
1 82 1 1 6 ARG HB2 H -17.246 -5.274 5.223 1.00 . A A . 6 ARG HB2 1 1
1 83 1 1 6 ARG HB3 H -17.440 -5.099 3.487 1.00 . A A . 6 ARG HB3 1 1
1 84 1 1 6 ARG HD2 H -15.515 -7.756 5.395 1.00 . A A . 6 ARG HD2 1 1
1 85 1 1 6 ARG HD3 H -17.137 -7.425 4.760 1.00 . A A . 6 ARG HD3 1 1
1 86 1 1 6 ARG HE H -14.936 -8.401 2.976 1.00 . A A . 6 ARG HE 1 1
1 87 1 1 6 ARG HG2 H -15.344 -6.070 3.031 1.00 . A A . 6 ARG HG2 1 1
1 88 1 1 6 ARG HG3 H -14.741 -5.766 4.659 1.00 . A A . 6 ARG HG3 1 1
1 89 1 1 6 ARG HH11 H -17.682 -7.584 1.932 1.00 . A A . 6 ARG HH11 1 1
1 90 1 1 6 ARG HH12 H -18.465 -9.116 1.777 1.00 . A A . 6 ARG HH12 1 1
1 91 1 1 6 ARG HH21 H -16.118 -10.776 3.774 1.00 . A A . 6 ARG HH21 1 1
1 92 1 1 6 ARG HH22 H -17.562 -10.958 2.839 1.00 . A A . 6 ARG HH22 1 1
1 93 1 1 6 ARG N N -17.235 -2.825 5.144 1.00 . A A . 6 ARG N 1 1
1 94 1 1 6 ARG NE N -15.830 -8.356 3.378 1.00 . A A . 6 ARG NE 1 1
1 95 1 1 6 ARG NH1 N -17.718 -8.561 2.146 1.00 . A A . 6 ARG NH1 1 1
1 96 1 1 6 ARG NH2 N -16.829 -10.376 3.194 1.00 . A A . 6 ARG NH2 1 1
1 97 1 1 6 ARG O O -14.962 -2.327 2.811 1.00 . A A . 6 ARG O 1 1
1 98 1 1 7 SER C C -15.545 -2.333 0.132 1.00 . A A . 7 SER C 1 1
1 99 1 1 7 SER CA C -16.944 -2.414 0.778 1.00 . A A . 7 SER CA 1 1
1 100 1 1 7 SER CB C -17.562 -1.024 0.950 1.00 . A A . 7 SER CB 1 1
1 101 1 1 7 SER H H -17.782 -3.514 2.408 1.00 . A A . 7 SER H 1 1
1 102 1 1 7 SER HA H -17.596 -2.980 0.134 1.00 . A A . 7 SER HA 1 1
1 103 1 1 7 SER HB2 H -17.462 -0.693 1.971 1.00 . A A . 7 SER HB2 1 1
1 104 1 1 7 SER HB3 H -17.050 -0.323 0.303 1.00 . A A . 7 SER HB3 1 1
1 105 1 1 7 SER HG H -19.433 -1.318 1.416 1.00 . A A . 7 SER HG 1 1
1 106 1 1 7 SER N N -16.973 -3.022 2.153 1.00 . A A . 7 SER N 1 1
1 107 1 1 7 SER O O -14.869 -1.327 0.267 1.00 . A A . 7 SER O 1 1
1 108 1 1 7 SER OG O -18.943 -1.094 0.619 1.00 . A A . 7 SER OG 1 1
1 109 1 1 8 PRO C C -13.815 -2.569 -2.515 1.00 . A A . 8 PRO C 1 1
1 110 1 1 8 PRO CA C -13.812 -3.409 -1.222 1.00 . A A . 8 PRO CA 1 1
1 111 1 1 8 PRO CB C -13.578 -4.897 -1.495 1.00 . A A . 8 PRO CB 1 1
1 112 1 1 8 PRO CD C -15.877 -4.642 -0.776 1.00 . A A . 8 PRO CD 1 1
1 113 1 1 8 PRO CG C -14.938 -5.509 -1.565 1.00 . A A . 8 PRO CG 1 1
1 114 1 1 8 PRO HA H -13.050 -3.051 -0.549 1.00 . A A . 8 PRO HA 1 1
1 115 1 1 8 PRO HB2 H -13.051 -5.028 -2.429 1.00 . A A . 8 PRO HB2 1 1
1 116 1 1 8 PRO HB3 H -13.025 -5.345 -0.684 1.00 . A A . 8 PRO HB3 1 1
1 117 1 1 8 PRO HD2 H -16.782 -4.466 -1.340 1.00 . A A . 8 PRO HD2 1 1
1 118 1 1 8 PRO HD3 H -16.106 -5.101 0.175 1.00 . A A . 8 PRO HD3 1 1
1 119 1 1 8 PRO HG2 H -15.261 -5.557 -2.596 1.00 . A A . 8 PRO HG2 1 1
1 120 1 1 8 PRO HG3 H -14.922 -6.500 -1.137 1.00 . A A . 8 PRO HG3 1 1
1 121 1 1 8 PRO N N -15.146 -3.384 -0.554 1.00 . A A . 8 PRO N 1 1
1 122 1 1 8 PRO O O -13.561 -3.074 -3.593 1.00 . A A . 8 PRO O 1 1
1 123 1 1 9 GLY C C -12.806 0.395 -3.561 1.00 . A A . 9 GLY C 1 1
1 124 1 1 9 GLY CA C -14.116 -0.387 -3.593 1.00 . A A . 9 GLY CA 1 1
1 125 1 1 9 GLY H H -14.288 -0.914 -1.520 1.00 . A A . 9 GLY H 1 1
1 126 1 1 9 GLY HA2 H -14.189 -0.969 -4.503 1.00 . A A . 9 GLY HA2 1 1
1 127 1 1 9 GLY HA3 H -14.940 0.303 -3.524 1.00 . A A . 9 GLY HA3 1 1
1 128 1 1 9 GLY N N -14.094 -1.291 -2.405 1.00 . A A . 9 GLY N 1 1
1 129 1 1 9 GLY O O -11.856 0.028 -4.226 1.00 . A A . 9 GLY O 1 1
1 130 1 1 10 ILE C C -10.481 1.477 -1.846 1.00 . A A . 10 ILE C 1 1
1 131 1 1 10 ILE CA C -11.503 2.266 -2.677 1.00 . A A . 10 ILE CA 1 1
1 132 1 1 10 ILE CB C -11.878 3.610 -2.026 1.00 . A A . 10 ILE CB 1 1
1 133 1 1 10 ILE CD1 C -13.254 5.694 -2.357 1.00 . A A . 10 ILE CD1 1 1
1 134 1 1 10 ILE CG1 C -12.653 4.462 -3.041 1.00 . A A . 10 ILE CG1 1 1
1 135 1 1 10 ILE CG2 C -10.616 4.371 -1.597 1.00 . A A . 10 ILE CG2 1 1
1 136 1 1 10 ILE H H -13.543 1.701 -2.253 1.00 . A A . 10 ILE H 1 1
1 137 1 1 10 ILE HA H -11.103 2.433 -3.667 1.00 . A A . 10 ILE HA 1 1
1 138 1 1 10 ILE HB H -12.496 3.429 -1.159 1.00 . A A . 10 ILE HB 1 1
1 139 1 1 10 ILE HD11 H -12.489 6.205 -1.790 1.00 . A A . 10 ILE HD11 1 1
1 140 1 1 10 ILE HD12 H -13.651 6.363 -3.107 1.00 . A A . 10 ILE HD12 1 1
1 141 1 1 10 ILE HD13 H -14.049 5.386 -1.695 1.00 . A A . 10 ILE HD13 1 1
1 142 1 1 10 ILE HG12 H -11.982 4.778 -3.826 1.00 . A A . 10 ILE HG12 1 1
1 143 1 1 10 ILE HG13 H -13.449 3.872 -3.470 1.00 . A A . 10 ILE HG13 1 1
1 144 1 1 10 ILE HG21 H -9.780 4.062 -2.208 1.00 . A A . 10 ILE HG21 1 1
1 145 1 1 10 ILE HG22 H -10.773 5.433 -1.716 1.00 . A A . 10 ILE HG22 1 1
1 146 1 1 10 ILE HG23 H -10.403 4.153 -0.561 1.00 . A A . 10 ILE HG23 1 1
1 147 1 1 10 ILE N N -12.755 1.452 -2.781 1.00 . A A . 10 ILE N 1 1
1 148 1 1 10 ILE O O -9.302 1.551 -2.124 1.00 . A A . 10 ILE O 1 1
1 149 1 1 11 SER C C -9.218 -1.070 -0.907 1.00 . A A . 11 SER C 1 1
1 150 1 1 11 SER CA C -9.967 -0.076 -0.009 1.00 . A A . 11 SER CA 1 1
1 151 1 1 11 SER CB C -10.823 -0.816 1.024 1.00 . A A . 11 SER CB 1 1
1 152 1 1 11 SER H H -11.873 0.689 -0.660 1.00 . A A . 11 SER H 1 1
1 153 1 1 11 SER HA H -9.267 0.574 0.492 1.00 . A A . 11 SER HA 1 1
1 154 1 1 11 SER HB2 H -11.750 -1.135 0.576 1.00 . A A . 11 SER HB2 1 1
1 155 1 1 11 SER HB3 H -10.285 -1.688 1.371 1.00 . A A . 11 SER HB3 1 1
1 156 1 1 11 SER HG H -11.426 -0.468 2.847 1.00 . A A . 11 SER HG 1 1
1 157 1 1 11 SER N N -10.912 0.728 -0.851 1.00 . A A . 11 SER N 1 1
1 158 1 1 11 SER O O -8.005 -1.100 -0.899 1.00 . A A . 11 SER O 1 1
1 159 1 1 11 SER OG O -11.115 0.060 2.106 1.00 . A A . 11 SER OG 1 1
1 160 1 1 12 ARG C C -8.465 -2.146 -3.721 1.00 . A A . 12 ARG C 1 1
1 161 1 1 12 ARG CA C -9.253 -2.850 -2.597 1.00 . A A . 12 ARG CA 1 1
1 162 1 1 12 ARG CB C -10.364 -3.725 -3.192 1.00 . A A . 12 ARG CB 1 1
1 163 1 1 12 ARG CD C -9.897 -5.780 -4.577 1.00 . A A . 12 ARG CD 1 1
1 164 1 1 12 ARG CG C -9.938 -5.197 -3.160 1.00 . A A . 12 ARG CG 1 1
1 165 1 1 12 ARG CZ C -11.404 -7.688 -4.566 1.00 . A A . 12 ARG CZ 1 1
1 166 1 1 12 ARG H H -10.902 -1.801 -1.673 1.00 . A A . 12 ARG H 1 1
1 167 1 1 12 ARG HA H -8.584 -3.474 -2.026 1.00 . A A . 12 ARG HA 1 1
1 168 1 1 12 ARG HB2 H -11.271 -3.602 -2.619 1.00 . A A . 12 ARG HB2 1 1
1 169 1 1 12 ARG HB3 H -10.546 -3.431 -4.215 1.00 . A A . 12 ARG HB3 1 1
1 170 1 1 12 ARG HD2 H -9.722 -4.994 -5.299 1.00 . A A . 12 ARG HD2 1 1
1 171 1 1 12 ARG HD3 H -9.126 -6.533 -4.649 1.00 . A A . 12 ARG HD3 1 1
1 172 1 1 12 ARG HE H -11.983 -5.862 -5.109 1.00 . A A . 12 ARG HE 1 1
1 173 1 1 12 ARG HG2 H -8.955 -5.274 -2.716 1.00 . A A . 12 ARG HG2 1 1
1 174 1 1 12 ARG HG3 H -10.641 -5.758 -2.564 1.00 . A A . 12 ARG HG3 1 1
1 175 1 1 12 ARG HH11 H -10.422 -8.267 -6.217 1.00 . A A . 12 ARG HH11 1 1
1 176 1 1 12 ARG HH12 H -11.046 -9.549 -5.240 1.00 . A A . 12 ARG HH12 1 1
1 177 1 1 12 ARG HH21 H -12.416 -7.378 -2.862 1.00 . A A . 12 ARG HH21 1 1
1 178 1 1 12 ARG HH22 H -12.198 -9.036 -3.303 1.00 . A A . 12 ARG HH22 1 1
1 179 1 1 12 ARG N N -9.923 -1.863 -1.684 1.00 . A A . 12 ARG N 1 1
1 180 1 1 12 ARG NE N -11.232 -6.411 -4.795 1.00 . A A . 12 ARG NE 1 1
1 181 1 1 12 ARG NH1 N -10.921 -8.571 -5.405 1.00 . A A . 12 ARG NH1 1 1
1 182 1 1 12 ARG NH2 N -12.055 -8.064 -3.496 1.00 . A A . 12 ARG NH2 1 1
1 183 1 1 12 ARG O O -7.697 -2.792 -4.407 1.00 . A A . 12 ARG O 1 1
1 184 1 1 13 PHE C C -6.700 0.596 -4.335 1.00 . A A . 13 PHE C 1 1
1 185 1 1 13 PHE CA C -7.937 -0.074 -4.962 1.00 . A A . 13 PHE CA 1 1
1 186 1 1 13 PHE CB C -9.015 0.925 -5.416 1.00 . A A . 13 PHE CB 1 1
1 187 1 1 13 PHE CD1 C -7.985 3.205 -5.725 1.00 . A A . 13 PHE CD1 1 1
1 188 1 1 13 PHE CD2 C -8.491 1.884 -7.692 1.00 . A A . 13 PHE CD2 1 1
1 189 1 1 13 PHE CE1 C -7.499 4.233 -6.538 1.00 . A A . 13 PHE CE1 1 1
1 190 1 1 13 PHE CE2 C -8.005 2.913 -8.507 1.00 . A A . 13 PHE CE2 1 1
1 191 1 1 13 PHE CG C -8.481 2.030 -6.300 1.00 . A A . 13 PHE CG 1 1
1 192 1 1 13 PHE CZ C -7.507 4.087 -7.930 1.00 . A A . 13 PHE CZ 1 1
1 193 1 1 13 PHE H H -9.278 -0.377 -3.330 1.00 . A A . 13 PHE H 1 1
1 194 1 1 13 PHE HA H -7.655 -0.710 -5.786 1.00 . A A . 13 PHE HA 1 1
1 195 1 1 13 PHE HB2 H -9.773 0.389 -5.967 1.00 . A A . 13 PHE HB2 1 1
1 196 1 1 13 PHE HB3 H -9.476 1.361 -4.541 1.00 . A A . 13 PHE HB3 1 1
1 197 1 1 13 PHE HD1 H -7.978 3.318 -4.651 1.00 . A A . 13 PHE HD1 1 1
1 198 1 1 13 PHE HD2 H -8.874 0.979 -8.138 1.00 . A A . 13 PHE HD2 1 1
1 199 1 1 13 PHE HE1 H -7.116 5.138 -6.092 1.00 . A A . 13 PHE HE1 1 1
1 200 1 1 13 PHE HE2 H -8.013 2.801 -9.580 1.00 . A A . 13 PHE HE2 1 1
1 201 1 1 13 PHE HZ H -7.134 4.882 -8.557 1.00 . A A . 13 PHE HZ 1 1
1 202 1 1 13 PHE N N -8.649 -0.857 -3.905 1.00 . A A . 13 PHE N 1 1
1 203 1 1 13 PHE O O -5.614 0.534 -4.887 1.00 . A A . 13 PHE O 1 1
1 204 1 1 14 ARG C C -4.758 0.927 -1.843 1.00 . A A . 14 ARG C 1 1
1 205 1 1 14 ARG CA C -5.747 1.917 -2.483 1.00 . A A . 14 ARG CA 1 1
1 206 1 1 14 ARG CB C -6.399 2.831 -1.431 1.00 . A A . 14 ARG CB 1 1
1 207 1 1 14 ARG CD C -7.814 2.908 0.649 1.00 . A A . 14 ARG CD 1 1
1 208 1 1 14 ARG CG C -6.924 2.028 -0.234 1.00 . A A . 14 ARG CG 1 1
1 209 1 1 14 ARG CZ C -6.388 3.709 2.447 1.00 . A A . 14 ARG CZ 1 1
1 210 1 1 14 ARG H H -7.768 1.244 -2.787 1.00 . A A . 14 ARG H 1 1
1 211 1 1 14 ARG HA H -5.212 2.536 -3.186 1.00 . A A . 14 ARG HA 1 1
1 212 1 1 14 ARG HB2 H -5.667 3.544 -1.080 1.00 . A A . 14 ARG HB2 1 1
1 213 1 1 14 ARG HB3 H -7.220 3.365 -1.888 1.00 . A A . 14 ARG HB3 1 1
1 214 1 1 14 ARG HD2 H -7.800 3.932 0.299 1.00 . A A . 14 ARG HD2 1 1
1 215 1 1 14 ARG HD3 H -8.824 2.528 0.661 1.00 . A A . 14 ARG HD3 1 1
1 216 1 1 14 ARG HE H -7.467 2.045 2.595 1.00 . A A . 14 ARG HE 1 1
1 217 1 1 14 ARG HG2 H -7.493 1.182 -0.591 1.00 . A A . 14 ARG HG2 1 1
1 218 1 1 14 ARG HG3 H -6.085 1.673 0.347 1.00 . A A . 14 ARG HG3 1 1
1 219 1 1 14 ARG HH11 H -7.839 4.994 2.964 1.00 . A A . 14 ARG HH11 1 1
1 220 1 1 14 ARG HH12 H -6.226 5.541 3.263 1.00 . A A . 14 ARG HH12 1 1
1 221 1 1 14 ARG HH21 H -4.757 2.624 2.015 1.00 . A A . 14 ARG HH21 1 1
1 222 1 1 14 ARG HH22 H -4.452 4.175 2.717 1.00 . A A . 14 ARG HH22 1 1
1 223 1 1 14 ARG N N -6.871 1.226 -3.192 1.00 . A A . 14 ARG N 1 1
1 224 1 1 14 ARG NE N -7.225 2.801 2.016 1.00 . A A . 14 ARG NE 1 1
1 225 1 1 14 ARG NH1 N -6.851 4.835 2.929 1.00 . A A . 14 ARG NH1 1 1
1 226 1 1 14 ARG NH2 N -5.100 3.487 2.389 1.00 . A A . 14 ARG NH2 1 1
1 227 1 1 14 ARG O O -3.584 1.237 -1.772 1.00 . A A . 14 ARG O 1 1
1 228 1 1 15 ARG C C -3.128 -1.590 -1.746 1.00 . A A . 15 ARG C 1 1
1 229 1 1 15 ARG CA C -4.243 -1.210 -0.760 1.00 . A A . 15 ARG CA 1 1
1 230 1 1 15 ARG CB C -5.071 -2.432 -0.349 1.00 . A A . 15 ARG CB 1 1
1 231 1 1 15 ARG CD C -5.859 -3.374 1.834 1.00 . A A . 15 ARG CD 1 1
1 232 1 1 15 ARG CG C -5.817 -2.124 0.953 1.00 . A A . 15 ARG CG 1 1
1 233 1 1 15 ARG CZ C -4.317 -4.304 3.458 1.00 . A A . 15 ARG CZ 1 1
1 234 1 1 15 ARG H H -6.148 -0.453 -1.458 1.00 . A A . 15 ARG H 1 1
1 235 1 1 15 ARG HA H -3.802 -0.768 0.120 1.00 . A A . 15 ARG HA 1 1
1 236 1 1 15 ARG HB2 H -5.777 -2.674 -1.131 1.00 . A A . 15 ARG HB2 1 1
1 237 1 1 15 ARG HB3 H -4.411 -3.272 -0.190 1.00 . A A . 15 ARG HB3 1 1
1 238 1 1 15 ARG HD2 H -6.790 -3.402 2.385 1.00 . A A . 15 ARG HD2 1 1
1 239 1 1 15 ARG HD3 H -5.755 -4.263 1.229 1.00 . A A . 15 ARG HD3 1 1
1 240 1 1 15 ARG HE H -4.218 -2.411 2.870 1.00 . A A . 15 ARG HE 1 1
1 241 1 1 15 ARG HG2 H -5.317 -1.323 1.478 1.00 . A A . 15 ARG HG2 1 1
1 242 1 1 15 ARG HG3 H -6.826 -1.820 0.728 1.00 . A A . 15 ARG HG3 1 1
1 243 1 1 15 ARG HH11 H -3.104 -5.003 2.019 1.00 . A A . 15 ARG HH11 1 1
1 244 1 1 15 ARG HH12 H -3.164 -5.951 3.466 1.00 . A A . 15 ARG HH12 1 1
1 245 1 1 15 ARG HH21 H -5.442 -3.848 5.057 1.00 . A A . 15 ARG HH21 1 1
1 246 1 1 15 ARG HH22 H -4.499 -5.290 5.200 1.00 . A A . 15 ARG HH22 1 1
1 247 1 1 15 ARG N N -5.193 -0.230 -1.387 1.00 . A A . 15 ARG N 1 1
1 248 1 1 15 ARG NE N -4.699 -3.261 2.767 1.00 . A A . 15 ARG NE 1 1
1 249 1 1 15 ARG NH1 N -3.463 -5.151 2.942 1.00 . A A . 15 ARG NH1 1 1
1 250 1 1 15 ARG NH2 N -4.789 -4.496 4.664 1.00 . A A . 15 ARG NH2 1 1
1 251 1 1 15 ARG O O -1.978 -1.691 -1.356 1.00 . A A . 15 ARG O 1 1
1 252 1 1 16 LYS C C -1.513 -0.938 -4.279 1.00 . A A . 16 LYS C 1 1
1 253 1 1 16 LYS CA C -2.432 -2.147 -4.034 1.00 . A A . 16 LYS CA 1 1
1 254 1 1 16 LYS CB C -3.206 -2.518 -5.305 1.00 . A A . 16 LYS CB 1 1
1 255 1 1 16 LYS CD C -2.306 -2.850 -7.633 1.00 . A A . 16 LYS CD 1 1
1 256 1 1 16 LYS CE C -2.189 -4.004 -8.637 1.00 . A A . 16 LYS CE 1 1
1 257 1 1 16 LYS CG C -2.341 -3.408 -6.206 1.00 . A A . 16 LYS CG 1 1
1 258 1 1 16 LYS H H -4.399 -1.684 -3.273 1.00 . A A . 16 LYS H 1 1
1 259 1 1 16 LYS HA H -1.850 -2.993 -3.700 1.00 . A A . 16 LYS HA 1 1
1 260 1 1 16 LYS HB2 H -4.107 -3.049 -5.034 1.00 . A A . 16 LYS HB2 1 1
1 261 1 1 16 LYS HB3 H -3.468 -1.617 -5.838 1.00 . A A . 16 LYS HB3 1 1
1 262 1 1 16 LYS HD2 H -3.209 -2.286 -7.823 1.00 . A A . 16 LYS HD2 1 1
1 263 1 1 16 LYS HD3 H -1.450 -2.200 -7.739 1.00 . A A . 16 LYS HD3 1 1
1 264 1 1 16 LYS HE2 H -1.217 -3.979 -9.111 1.00 . A A . 16 LYS HE2 1 1
1 265 1 1 16 LYS HE3 H -2.337 -4.952 -8.142 1.00 . A A . 16 LYS HE3 1 1
1 266 1 1 16 LYS HG2 H -1.335 -3.443 -5.814 1.00 . A A . 16 LYS HG2 1 1
1 267 1 1 16 LYS HG3 H -2.755 -4.405 -6.224 1.00 . A A . 16 LYS HG3 1 1
1 268 1 1 16 LYS HZ1 H -4.197 -3.757 -9.186 1.00 . A A . 16 LYS HZ1 1 1
1 269 1 1 16 LYS HZ2 H -3.097 -2.905 -10.165 1.00 . A A . 16 LYS HZ2 1 1
1 270 1 1 16 LYS HZ3 H -3.255 -4.579 -10.332 1.00 . A A . 16 LYS HZ3 1 1
1 271 1 1 16 LYS N N -3.461 -1.785 -3.004 1.00 . A A . 16 LYS N 1 1
1 272 1 1 16 LYS NZ N -3.264 -3.794 -9.650 1.00 . A A . 16 LYS NZ 1 1
1 273 1 1 16 LYS O O -0.311 -1.098 -4.404 1.00 . A A . 16 LYS O 1 1
1 274 1 1 17 ILE C C -0.219 1.615 -3.436 1.00 . A A . 17 ILE C 1 1
1 275 1 1 17 ILE CA C -1.260 1.496 -4.563 1.00 . A A . 17 ILE CA 1 1
1 276 1 1 17 ILE CB C -2.258 2.671 -4.550 1.00 . A A . 17 ILE CB 1 1
1 277 1 1 17 ILE CD1 C -4.295 3.612 -5.694 1.00 . A A . 17 ILE CD1 1 1
1 278 1 1 17 ILE CG1 C -3.114 2.643 -5.824 1.00 . A A . 17 ILE CG1 1 1
1 279 1 1 17 ILE CG2 C -1.513 4.010 -4.478 1.00 . A A . 17 ILE CG2 1 1
1 280 1 1 17 ILE H H -3.043 0.333 -4.225 1.00 . A A . 17 ILE H 1 1
1 281 1 1 17 ILE HA H -0.761 1.446 -5.520 1.00 . A A . 17 ILE HA 1 1
1 282 1 1 17 ILE HB H -2.898 2.580 -3.684 1.00 . A A . 17 ILE HB 1 1
1 283 1 1 17 ILE HD11 H -4.020 4.435 -5.052 1.00 . A A . 17 ILE HD11 1 1
1 284 1 1 17 ILE HD12 H -4.559 3.990 -6.671 1.00 . A A . 17 ILE HD12 1 1
1 285 1 1 17 ILE HD13 H -5.140 3.091 -5.270 1.00 . A A . 17 ILE HD13 1 1
1 286 1 1 17 ILE HG12 H -2.509 2.930 -6.671 1.00 . A A . 17 ILE HG12 1 1
1 287 1 1 17 ILE HG13 H -3.495 1.645 -5.980 1.00 . A A . 17 ILE HG13 1 1
1 288 1 1 17 ILE HG21 H -0.607 3.952 -5.063 1.00 . A A . 17 ILE HG21 1 1
1 289 1 1 17 ILE HG22 H -2.143 4.797 -4.865 1.00 . A A . 17 ILE HG22 1 1
1 290 1 1 17 ILE HG23 H -1.263 4.224 -3.450 1.00 . A A . 17 ILE HG23 1 1
1 291 1 1 17 ILE N N -2.071 0.254 -4.338 1.00 . A A . 17 ILE N 1 1
1 292 1 1 17 ILE O O 0.934 1.906 -3.697 1.00 . A A . 17 ILE O 1 1
1 293 1 1 18 ALA C C 1.425 0.405 -1.186 1.00 . A A . 18 ALA C 1 1
1 294 1 1 18 ALA CA C 0.323 1.467 -1.045 1.00 . A A . 18 ALA CA 1 1
1 295 1 1 18 ALA CB C -0.519 1.216 0.210 1.00 . A A . 18 ALA CB 1 1
1 296 1 1 18 ALA H H -1.563 1.144 -2.044 1.00 . A A . 18 ALA H 1 1
1 297 1 1 18 ALA HA H 0.761 2.452 -0.994 1.00 . A A . 18 ALA HA 1 1
1 298 1 1 18 ALA HB1 H -1.335 1.923 0.246 1.00 . A A . 18 ALA HB1 1 1
1 299 1 1 18 ALA HB2 H -0.914 0.211 0.184 1.00 . A A . 18 ALA HB2 1 1
1 300 1 1 18 ALA HB3 H 0.100 1.336 1.086 1.00 . A A . 18 ALA HB3 1 1
1 301 1 1 18 ALA N N -0.624 1.383 -2.204 1.00 . A A . 18 ALA N 1 1
1 302 1 1 18 ALA O O 2.583 0.698 -0.954 1.00 . A A . 18 ALA O 1 1
1 303 1 1 19 LYS C C 3.198 -1.474 -2.673 1.00 . A A . 19 LYS C 1 1
1 304 1 1 19 LYS CA C 2.053 -1.920 -1.745 1.00 . A A . 19 LYS CA 1 1
1 305 1 1 19 LYS CB C 1.241 -3.073 -2.359 1.00 . A A . 19 LYS CB 1 1
1 306 1 1 19 LYS CD C 1.187 -5.538 -2.828 1.00 . A A . 19 LYS CD 1 1
1 307 1 1 19 LYS CE C 1.714 -6.349 -4.022 1.00 . A A . 19 LYS CE 1 1
1 308 1 1 19 LYS CG C 2.096 -4.334 -2.539 1.00 . A A . 19 LYS CG 1 1
1 309 1 1 19 LYS H H 0.115 -0.977 -1.744 1.00 . A A . 19 LYS H 1 1
1 310 1 1 19 LYS HA H 2.445 -2.227 -0.788 1.00 . A A . 19 LYS HA 1 1
1 311 1 1 19 LYS HB2 H 0.409 -3.303 -1.709 1.00 . A A . 19 LYS HB2 1 1
1 312 1 1 19 LYS HB3 H 0.861 -2.762 -3.321 1.00 . A A . 19 LYS HB3 1 1
1 313 1 1 19 LYS HD2 H 1.158 -6.173 -1.954 1.00 . A A . 19 LYS HD2 1 1
1 314 1 1 19 LYS HD3 H 0.188 -5.191 -3.043 1.00 . A A . 19 LYS HD3 1 1
1 315 1 1 19 LYS HE2 H 2.717 -6.034 -4.272 1.00 . A A . 19 LYS HE2 1 1
1 316 1 1 19 LYS HE3 H 1.704 -7.404 -3.788 1.00 . A A . 19 LYS HE3 1 1
1 317 1 1 19 LYS HG2 H 2.778 -4.184 -3.364 1.00 . A A . 19 LYS HG2 1 1
1 318 1 1 19 LYS HG3 H 2.660 -4.521 -1.637 1.00 . A A . 19 LYS HG3 1 1
1 319 1 1 19 LYS HZ1 H -0.179 -6.382 -4.923 1.00 . A A . 19 LYS HZ1 1 1
1 320 1 1 19 LYS HZ2 H 0.793 -5.066 -5.386 1.00 . A A . 19 LYS HZ2 1 1
1 321 1 1 19 LYS HZ3 H 1.106 -6.617 -6.002 1.00 . A A . 19 LYS HZ3 1 1
1 322 1 1 19 LYS N N 1.065 -0.803 -1.567 1.00 . A A . 19 LYS N 1 1
1 323 1 1 19 LYS NZ N 0.788 -6.083 -5.166 1.00 . A A . 19 LYS NZ 1 1
1 324 1 1 19 LYS O O 4.357 -1.687 -2.366 1.00 . A A . 19 LYS O 1 1
1 325 1 1 20 ARG C C 4.790 0.708 -4.134 1.00 . A A . 20 ARG C 1 1
1 326 1 1 20 ARG CA C 3.892 -0.370 -4.766 1.00 . A A . 20 ARG CA 1 1
1 327 1 1 20 ARG CB C 3.097 0.206 -5.949 1.00 . A A . 20 ARG CB 1 1
1 328 1 1 20 ARG CD C 3.215 1.085 -8.295 1.00 . A A . 20 ARG CD 1 1
1 329 1 1 20 ARG CG C 4.020 0.463 -7.145 1.00 . A A . 20 ARG CG 1 1
1 330 1 1 20 ARG CZ C 3.806 2.016 -10.460 1.00 . A A . 20 ARG CZ 1 1
1 331 1 1 20 ARG H H 1.914 -0.705 -3.980 1.00 . A A . 20 ARG H 1 1
1 332 1 1 20 ARG HA H 4.491 -1.197 -5.113 1.00 . A A . 20 ARG HA 1 1
1 333 1 1 20 ARG HB2 H 2.326 -0.493 -6.237 1.00 . A A . 20 ARG HB2 1 1
1 334 1 1 20 ARG HB3 H 2.639 1.137 -5.649 1.00 . A A . 20 ARG HB3 1 1
1 335 1 1 20 ARG HD2 H 2.557 0.344 -8.729 1.00 . A A . 20 ARG HD2 1 1
1 336 1 1 20 ARG HD3 H 2.644 1.930 -7.940 1.00 . A A . 20 ARG HD3 1 1
1 337 1 1 20 ARG HE H 5.172 1.500 -9.115 1.00 . A A . 20 ARG HE 1 1
1 338 1 1 20 ARG HG2 H 4.811 1.137 -6.847 1.00 . A A . 20 ARG HG2 1 1
1 339 1 1 20 ARG HG3 H 4.450 -0.471 -7.477 1.00 . A A . 20 ARG HG3 1 1
1 340 1 1 20 ARG HH11 H 3.631 3.905 -9.804 1.00 . A A . 20 ARG HH11 1 1
1 341 1 1 20 ARG HH12 H 3.222 3.657 -11.464 1.00 . A A . 20 ARG HH12 1 1
1 342 1 1 20 ARG HH21 H 3.892 0.234 -11.379 1.00 . A A . 20 ARG HH21 1 1
1 343 1 1 20 ARG HH22 H 3.371 1.553 -12.367 1.00 . A A . 20 ARG HH22 1 1
1 344 1 1 20 ARG N N 2.864 -0.856 -3.786 1.00 . A A . 20 ARG N 1 1
1 345 1 1 20 ARG NE N 4.211 1.547 -9.307 1.00 . A A . 20 ARG NE 1 1
1 346 1 1 20 ARG NH1 N 3.532 3.290 -10.586 1.00 . A A . 20 ARG NH1 1 1
1 347 1 1 20 ARG NH2 N 3.679 1.206 -11.481 1.00 . A A . 20 ARG NH2 1 1
1 348 1 1 20 ARG O O 5.992 0.695 -4.333 1.00 . A A . 20 ARG O 1 1
1 349 1 1 21 SER C C 5.941 2.153 -1.629 1.00 . A A . 21 SER C 1 1
1 350 1 1 21 SER CA C 5.029 2.708 -2.736 1.00 . A A . 21 SER CA 1 1
1 351 1 1 21 SER CB C 4.025 3.708 -2.150 1.00 . A A . 21 SER CB 1 1
1 352 1 1 21 SER H H 3.247 1.599 -3.252 1.00 . A A . 21 SER H 1 1
1 353 1 1 21 SER HA H 5.625 3.212 -3.481 1.00 . A A . 21 SER HA 1 1
1 354 1 1 21 SER HB2 H 3.131 3.730 -2.754 1.00 . A A . 21 SER HB2 1 1
1 355 1 1 21 SER HB3 H 3.760 3.401 -1.145 1.00 . A A . 21 SER HB3 1 1
1 356 1 1 21 SER HG H 4.534 5.371 -1.259 1.00 . A A . 21 SER HG 1 1
1 357 1 1 21 SER N N 4.220 1.625 -3.386 1.00 . A A . 21 SER N 1 1
1 358 1 1 21 SER O O 7.044 2.641 -1.466 1.00 . A A . 21 SER O 1 1
1 359 1 1 21 SER OG O 4.604 5.009 -2.146 1.00 . A A . 21 SER OG 1 1
1 360 1 1 22 ILE C C 7.559 -0.150 -0.368 1.00 . A A . 22 ILE C 1 1
1 361 1 1 22 ILE CA C 6.344 0.584 0.215 1.00 . A A . 22 ILE CA 1 1
1 362 1 1 22 ILE CB C 5.450 -0.370 1.029 1.00 . A A . 22 ILE CB 1 1
1 363 1 1 22 ILE CD1 C 3.079 -0.495 1.829 1.00 . A A . 22 ILE CD1 1 1
1 364 1 1 22 ILE CG1 C 4.306 0.409 1.691 1.00 . A A . 22 ILE CG1 1 1
1 365 1 1 22 ILE CG2 C 6.265 -1.056 2.135 1.00 . A A . 22 ILE CG2 1 1
1 366 1 1 22 ILE H H 4.601 0.800 -1.047 1.00 . A A . 22 ILE H 1 1
1 367 1 1 22 ILE HA H 6.687 1.381 0.858 1.00 . A A . 22 ILE HA 1 1
1 368 1 1 22 ILE HB H 5.043 -1.123 0.370 1.00 . A A . 22 ILE HB 1 1
1 369 1 1 22 ILE HD11 H 2.882 -0.981 0.885 1.00 . A A . 22 ILE HD11 1 1
1 370 1 1 22 ILE HD12 H 3.268 -1.243 2.586 1.00 . A A . 22 ILE HD12 1 1
1 371 1 1 22 ILE HD13 H 2.224 0.099 2.115 1.00 . A A . 22 ILE HD13 1 1
1 372 1 1 22 ILE HG12 H 4.619 0.744 2.669 1.00 . A A . 22 ILE HG12 1 1
1 373 1 1 22 ILE HG13 H 4.049 1.265 1.085 1.00 . A A . 22 ILE HG13 1 1
1 374 1 1 22 ILE HG21 H 7.178 -0.506 2.309 1.00 . A A . 22 ILE HG21 1 1
1 375 1 1 22 ILE HG22 H 5.689 -1.090 3.049 1.00 . A A . 22 ILE HG22 1 1
1 376 1 1 22 ILE HG23 H 6.508 -2.063 1.828 1.00 . A A . 22 ILE HG23 1 1
1 377 1 1 22 ILE N N 5.499 1.163 -0.883 1.00 . A A . 22 ILE N 1 1
1 378 1 1 22 ILE O O 8.669 0.110 0.059 1.00 . A A . 22 ILE O 1 1
1 379 1 1 23 LYS C C 9.594 -0.862 -2.448 1.00 . A A . 23 LYS C 1 1
1 380 1 1 23 LYS CA C 8.493 -1.805 -1.938 1.00 . A A . 23 LYS CA 1 1
1 381 1 1 23 LYS CB C 7.896 -2.632 -3.088 1.00 . A A . 23 LYS CB 1 1
1 382 1 1 23 LYS CD C 8.746 -4.723 -4.222 1.00 . A A . 23 LYS CD 1 1
1 383 1 1 23 LYS CE C 10.196 -4.307 -4.500 1.00 . A A . 23 LYS CE 1 1
1 384 1 1 23 LYS CG C 8.265 -4.110 -2.902 1.00 . A A . 23 LYS CG 1 1
1 385 1 1 23 LYS H H 6.439 -1.211 -1.621 1.00 . A A . 23 LYS H 1 1
1 386 1 1 23 LYS HA H 8.914 -2.476 -1.206 1.00 . A A . 23 LYS HA 1 1
1 387 1 1 23 LYS HB2 H 6.820 -2.528 -3.091 1.00 . A A . 23 LYS HB2 1 1
1 388 1 1 23 LYS HB3 H 8.293 -2.282 -4.028 1.00 . A A . 23 LYS HB3 1 1
1 389 1 1 23 LYS HD2 H 8.687 -5.799 -4.150 1.00 . A A . 23 LYS HD2 1 1
1 390 1 1 23 LYS HD3 H 8.114 -4.383 -5.029 1.00 . A A . 23 LYS HD3 1 1
1 391 1 1 23 LYS HE2 H 10.297 -3.234 -4.416 1.00 . A A . 23 LYS HE2 1 1
1 392 1 1 23 LYS HE3 H 10.866 -4.801 -3.813 1.00 . A A . 23 LYS HE3 1 1
1 393 1 1 23 LYS HG2 H 9.049 -4.196 -2.163 1.00 . A A . 23 LYS HG2 1 1
1 394 1 1 23 LYS HG3 H 7.397 -4.651 -2.556 1.00 . A A . 23 LYS HG3 1 1
1 395 1 1 23 LYS HZ1 H 9.823 -4.312 -6.558 1.00 . A A . 23 LYS HZ1 1 1
1 396 1 1 23 LYS HZ2 H 11.456 -4.477 -6.152 1.00 . A A . 23 LYS HZ2 1 1
1 397 1 1 23 LYS HZ3 H 10.404 -5.792 -5.955 1.00 . A A . 23 LYS HZ3 1 1
1 398 1 1 23 LYS N N 7.357 -1.042 -1.316 1.00 . A A . 23 LYS N 1 1
1 399 1 1 23 LYS NZ N 10.489 -4.756 -5.894 1.00 . A A . 23 LYS NZ 1 1
1 400 1 1 23 LYS O O 10.766 -1.109 -2.224 1.00 . A A . 23 LYS O 1 1
1 401 1 1 24 THR C C 10.950 1.886 -2.481 1.00 . A A . 24 THR C 1 1
1 402 1 1 24 THR CA C 10.231 1.186 -3.646 1.00 . A A . 24 THR CA 1 1
1 403 1 1 24 THR CB C 9.441 2.199 -4.489 1.00 . A A . 24 THR CB 1 1
1 404 1 1 24 THR CG2 C 10.370 3.251 -5.102 1.00 . A A . 24 THR CG2 1 1
1 405 1 1 24 THR H H 8.267 0.369 -3.272 1.00 . A A . 24 THR H 1 1
1 406 1 1 24 THR HA H 10.949 0.679 -4.273 1.00 . A A . 24 THR HA 1 1
1 407 1 1 24 THR HB H 8.712 2.695 -3.865 1.00 . A A . 24 THR HB 1 1
1 408 1 1 24 THR HG1 H 7.837 1.664 -5.448 1.00 . A A . 24 THR HG1 1 1
1 409 1 1 24 THR HG21 H 10.900 3.769 -4.316 1.00 . A A . 24 THR HG21 1 1
1 410 1 1 24 THR HG22 H 11.080 2.769 -5.758 1.00 . A A . 24 THR HG22 1 1
1 411 1 1 24 THR HG23 H 9.785 3.961 -5.666 1.00 . A A . 24 THR HG23 1 1
1 412 1 1 24 THR N N 9.223 0.207 -3.118 1.00 . A A . 24 THR N 1 1
1 413 1 1 24 THR O O 12.125 2.189 -2.580 1.00 . A A . 24 THR O 1 1
1 414 1 1 24 THR OG1 O 8.780 1.511 -5.541 1.00 . A A . 24 THR OG1 1 1
1 415 1 1 25 LEU C C 11.920 1.884 0.438 1.00 . A A . 25 LEU C 1 1
1 416 1 1 25 LEU CA C 10.877 2.809 -0.205 1.00 . A A . 25 LEU CA 1 1
1 417 1 1 25 LEU CB C 9.734 3.102 0.781 1.00 . A A . 25 LEU CB 1 1
1 418 1 1 25 LEU CD1 C 8.644 5.250 0.098 1.00 . A A . 25 LEU CD1 1 1
1 419 1 1 25 LEU CD2 C 9.180 4.836 2.500 1.00 . A A . 25 LEU CD2 1 1
1 420 1 1 25 LEU CG C 9.646 4.607 1.060 1.00 . A A . 25 LEU CG 1 1
1 421 1 1 25 LEU H H 9.313 1.873 -1.354 1.00 . A A . 25 LEU H 1 1
1 422 1 1 25 LEU HA H 11.341 3.736 -0.507 1.00 . A A . 25 LEU HA 1 1
1 423 1 1 25 LEU HB2 H 8.798 2.758 0.365 1.00 . A A . 25 LEU HB2 1 1
1 424 1 1 25 LEU HB3 H 9.922 2.581 1.708 1.00 . A A . 25 LEU HB3 1 1
1 425 1 1 25 LEU HD11 H 7.715 4.699 0.122 1.00 . A A . 25 LEU HD11 1 1
1 426 1 1 25 LEU HD12 H 8.461 6.272 0.397 1.00 . A A . 25 LEU HD12 1 1
1 427 1 1 25 LEU HD13 H 9.045 5.235 -0.905 1.00 . A A . 25 LEU HD13 1 1
1 428 1 1 25 LEU HD21 H 9.636 4.106 3.152 1.00 . A A . 25 LEU HD21 1 1
1 429 1 1 25 LEU HD22 H 9.466 5.828 2.815 1.00 . A A . 25 LEU HD22 1 1
1 430 1 1 25 LEU HD23 H 8.106 4.742 2.552 1.00 . A A . 25 LEU HD23 1 1
1 431 1 1 25 LEU HG H 10.618 5.058 0.916 1.00 . A A . 25 LEU HG 1 1
1 432 1 1 25 LEU N N 10.257 2.136 -1.392 1.00 . A A . 25 LEU N 1 1
1 433 1 1 25 LEU O O 13.007 2.318 0.767 1.00 . A A . 25 LEU O 1 1
1 434 1 1 26 GLU C C 13.763 -0.555 0.314 1.00 . A A . 26 GLU C 1 1
1 435 1 1 26 GLU CA C 12.543 -0.359 1.226 1.00 . A A . 26 GLU CA 1 1
1 436 1 1 26 GLU CB C 11.750 -1.661 1.394 1.00 . A A . 26 GLU CB 1 1
1 437 1 1 26 GLU CD C 9.532 -2.553 2.179 1.00 . A A . 26 GLU CD 1 1
1 438 1 1 26 GLU CG C 10.572 -1.443 2.355 1.00 . A A . 26 GLU CG 1 1
1 439 1 1 26 GLU H H 10.703 0.321 0.322 1.00 . A A . 26 GLU H 1 1
1 440 1 1 26 GLU HA H 12.862 -0.003 2.194 1.00 . A A . 26 GLU HA 1 1
1 441 1 1 26 GLU HB2 H 11.375 -1.977 0.431 1.00 . A A . 26 GLU HB2 1 1
1 442 1 1 26 GLU HB3 H 12.397 -2.426 1.795 1.00 . A A . 26 GLU HB3 1 1
1 443 1 1 26 GLU HG2 H 10.937 -1.451 3.372 1.00 . A A . 26 GLU HG2 1 1
1 444 1 1 26 GLU HG3 H 10.109 -0.488 2.153 1.00 . A A . 26 GLU HG3 1 1
1 445 1 1 26 GLU N N 11.593 0.624 0.609 1.00 . A A . 26 GLU N 1 1
1 446 1 1 26 GLU O O 14.887 -0.592 0.785 1.00 . A A . 26 GLU O 1 1
1 447 1 1 26 GLU OE1 O 8.932 -2.640 1.119 1.00 . A A . 26 GLU OE1 1 1
1 448 1 1 26 GLU OE2 O 9.350 -3.305 3.120 1.00 . A A . 26 GLU OE2 1 1
1 449 1 1 27 HIS C C 15.653 0.334 -1.903 1.00 . A A . 27 HIS C 1 1
1 450 1 1 27 HIS CA C 14.670 -0.852 -1.949 1.00 . A A . 27 HIS CA 1 1
1 451 1 1 27 HIS CB C 14.015 -0.987 -3.329 1.00 . A A . 27 HIS CB 1 1
1 452 1 1 27 HIS CD2 C 16.004 -2.547 -4.102 1.00 . A A . 27 HIS CD2 1 1
1 453 1 1 27 HIS CE1 C 15.694 -2.389 -6.239 1.00 . A A . 27 HIS CE1 1 1
1 454 1 1 27 HIS CG C 14.920 -1.719 -4.287 1.00 . A A . 27 HIS CG 1 1
1 455 1 1 27 HIS H H 12.621 -0.624 -1.312 1.00 . A A . 27 HIS H 1 1
1 456 1 1 27 HIS HA H 15.197 -1.765 -1.719 1.00 . A A . 27 HIS HA 1 1
1 457 1 1 27 HIS HB2 H 13.091 -1.537 -3.232 1.00 . A A . 27 HIS HB2 1 1
1 458 1 1 27 HIS HB3 H 13.800 -0.004 -3.721 1.00 . A A . 27 HIS HB3 1 1
1 459 1 1 27 HIS HD1 H 14.052 -1.121 -6.125 1.00 . A A . 27 HIS HD1 1 1
1 460 1 1 27 HIS HD2 H 16.416 -2.829 -3.145 1.00 . A A . 27 HIS HD2 1 1
1 461 1 1 27 HIS HE1 H 15.804 -2.512 -7.306 1.00 . A A . 27 HIS HE1 1 1
1 462 1 1 27 HIS N N 13.544 -0.667 -0.978 1.00 . A A . 27 HIS N 1 1
1 463 1 1 27 HIS ND1 N 14.745 -1.636 -5.658 1.00 . A A . 27 HIS ND1 1 1
1 464 1 1 27 HIS NE2 N 16.490 -2.968 -5.337 1.00 . A A . 27 HIS NE2 1 1
1 465 1 1 27 HIS O O 16.791 0.187 -2.302 1.00 . A A . 27 HIS O 1 1
1 466 1 1 28 LYS C C 16.687 2.845 0.086 1.00 . A A . 28 LYS C 1 1
1 467 1 1 28 LYS CA C 16.153 2.670 -1.350 1.00 . A A . 28 LYS CA 1 1
1 468 1 1 28 LYS CB C 15.341 3.867 -1.889 1.00 . A A . 28 LYS CB 1 1
1 469 1 1 28 LYS CD C 14.836 6.270 -1.347 1.00 . A A . 28 LYS CD 1 1
1 470 1 1 28 LYS CE C 13.506 6.553 -2.057 1.00 . A A . 28 LYS CE 1 1
1 471 1 1 28 LYS CG C 14.857 4.838 -0.798 1.00 . A A . 28 LYS CG 1 1
1 472 1 1 28 LYS H H 14.316 1.584 -1.108 1.00 . A A . 28 LYS H 1 1
1 473 1 1 28 LYS HA H 16.997 2.495 -2.002 1.00 . A A . 28 LYS HA 1 1
1 474 1 1 28 LYS HB2 H 15.963 4.416 -2.578 1.00 . A A . 28 LYS HB2 1 1
1 475 1 1 28 LYS HB3 H 14.486 3.489 -2.433 1.00 . A A . 28 LYS HB3 1 1
1 476 1 1 28 LYS HD2 H 14.956 6.962 -0.525 1.00 . A A . 28 LYS HD2 1 1
1 477 1 1 28 LYS HD3 H 15.652 6.400 -2.043 1.00 . A A . 28 LYS HD3 1 1
1 478 1 1 28 LYS HE2 H 12.881 5.671 -2.042 1.00 . A A . 28 LYS HE2 1 1
1 479 1 1 28 LYS HE3 H 12.997 7.378 -1.581 1.00 . A A . 28 LYS HE3 1 1
1 480 1 1 28 LYS HG2 H 13.862 4.559 -0.483 1.00 . A A . 28 LYS HG2 1 1
1 481 1 1 28 LYS HG3 H 15.519 4.801 0.054 1.00 . A A . 28 LYS HG3 1 1
1 482 1 1 28 LYS HZ1 H 14.386 6.150 -3.907 1.00 . A A . 28 LYS HZ1 1 1
1 483 1 1 28 LYS HZ2 H 12.967 7.077 -3.999 1.00 . A A . 28 LYS HZ2 1 1
1 484 1 1 28 LYS HZ3 H 14.409 7.794 -3.478 1.00 . A A . 28 LYS HZ3 1 1
1 485 1 1 28 LYS N N 15.238 1.489 -1.426 1.00 . A A . 28 LYS N 1 1
1 486 1 1 28 LYS NZ N 13.846 6.921 -3.464 1.00 . A A . 28 LYS NZ 1 1
1 487 1 1 28 LYS O O 17.760 3.389 0.264 1.00 . A A . 28 LYS O 1 1
1 488 1 1 29 ARG C C 17.377 1.382 2.898 1.00 . A A . 29 ARG C 1 1
1 489 1 1 29 ARG CA C 16.436 2.536 2.514 1.00 . A A . 29 ARG CA 1 1
1 490 1 1 29 ARG CB C 15.179 2.506 3.394 1.00 . A A . 29 ARG CB 1 1
1 491 1 1 29 ARG CD C 13.067 3.708 3.975 1.00 . A A . 29 ARG CD 1 1
1 492 1 1 29 ARG CG C 14.483 3.871 3.407 1.00 . A A . 29 ARG CG 1 1
1 493 1 1 29 ARG CZ C 12.851 4.500 6.274 1.00 . A A . 29 ARG CZ 1 1
1 494 1 1 29 ARG H H 15.107 1.958 0.921 1.00 . A A . 29 ARG H 1 1
1 495 1 1 29 ARG HA H 16.939 3.482 2.647 1.00 . A A . 29 ARG HA 1 1
1 496 1 1 29 ARG HB2 H 14.494 1.761 3.016 1.00 . A A . 29 ARG HB2 1 1
1 497 1 1 29 ARG HB3 H 15.466 2.245 4.402 1.00 . A A . 29 ARG HB3 1 1
1 498 1 1 29 ARG HD2 H 12.342 3.820 3.181 1.00 . A A . 29 ARG HD2 1 1
1 499 1 1 29 ARG HD3 H 12.958 2.742 4.443 1.00 . A A . 29 ARG HD3 1 1
1 500 1 1 29 ARG HE H 12.815 5.721 4.702 1.00 . A A . 29 ARG HE 1 1
1 501 1 1 29 ARG HG2 H 15.050 4.556 4.019 1.00 . A A . 29 ARG HG2 1 1
1 502 1 1 29 ARG HG3 H 14.419 4.255 2.400 1.00 . A A . 29 ARG HG3 1 1
1 503 1 1 29 ARG HH11 H 11.227 3.328 6.111 1.00 . A A . 29 ARG HH11 1 1
1 504 1 1 29 ARG HH12 H 11.867 3.488 7.709 1.00 . A A . 29 ARG HH12 1 1
1 505 1 1 29 ARG HH21 H 14.464 5.606 6.735 1.00 . A A . 29 ARG HH21 1 1
1 506 1 1 29 ARG HH22 H 13.720 4.790 8.064 1.00 . A A . 29 ARG HH22 1 1
1 507 1 1 29 ARG N N 15.968 2.396 1.096 1.00 . A A . 29 ARG N 1 1
1 508 1 1 29 ARG NE N 12.897 4.787 4.995 1.00 . A A . 29 ARG NE 1 1
1 509 1 1 29 ARG NH1 N 11.910 3.711 6.735 1.00 . A A . 29 ARG NH1 1 1
1 510 1 1 29 ARG NH2 N 13.746 5.003 7.087 1.00 . A A . 29 ARG NH2 1 1
1 511 1 1 29 ARG O O 18.525 1.616 3.222 1.00 . A A . 29 ARG O 1 1
1 512 1 1 30 GLU C C 18.963 -1.157 2.291 1.00 . A A . 30 GLU C 1 1
1 513 1 1 30 GLU CA C 17.756 -1.029 3.228 1.00 . A A . 30 GLU CA 1 1
1 514 1 1 30 GLU CB C 16.863 -2.272 3.111 1.00 . A A . 30 GLU CB 1 1
1 515 1 1 30 GLU CD C 17.089 -4.030 4.892 1.00 . A A . 30 GLU CD 1 1
1 516 1 1 30 GLU CG C 16.398 -2.720 4.502 1.00 . A A . 30 GLU CG 1 1
1 517 1 1 30 GLU H H 15.968 0.012 2.599 1.00 . A A . 30 GLU H 1 1
1 518 1 1 30 GLU HA H 18.097 -0.937 4.248 1.00 . A A . 30 GLU HA 1 1
1 519 1 1 30 GLU HB2 H 16.002 -2.046 2.498 1.00 . A A . 30 GLU HB2 1 1
1 520 1 1 30 GLU HB3 H 17.425 -3.072 2.652 1.00 . A A . 30 GLU HB3 1 1
1 521 1 1 30 GLU HG2 H 16.639 -1.957 5.227 1.00 . A A . 30 GLU HG2 1 1
1 522 1 1 30 GLU HG3 H 15.329 -2.874 4.488 1.00 . A A . 30 GLU HG3 1 1
1 523 1 1 30 GLU N N 16.902 0.154 2.865 1.00 . A A . 30 GLU N 1 1
1 524 1 1 30 GLU O O 20.066 -1.410 2.742 1.00 . A A . 30 GLU O 1 1
1 525 1 1 30 GLU OE1 O 18.210 -3.965 5.369 1.00 . A A . 30 GLU OE1 1 1
1 526 1 1 30 GLU OE2 O 16.488 -5.077 4.708 1.00 . A A . 30 GLU OE2 1 1
1 527 1 1 31 ASN C C 20.905 0.047 0.161 1.00 . A A . 31 ASN C 1 1
1 528 1 1 31 ASN CA C 19.874 -1.088 0.015 1.00 . A A . 31 ASN CA 1 1
1 529 1 1 31 ASN CB C 19.215 -1.044 -1.367 1.00 . A A . 31 ASN CB 1 1
1 530 1 1 31 ASN CG C 20.034 -1.855 -2.374 1.00 . A A . 31 ASN CG 1 1
1 531 1 1 31 ASN H H 17.846 -0.781 0.694 1.00 . A A . 31 ASN H 1 1
1 532 1 1 31 ASN HA H 20.367 -2.041 0.129 1.00 . A A . 31 ASN HA 1 1
1 533 1 1 31 ASN HB2 H 18.220 -1.458 -1.304 1.00 . A A . 31 ASN HB2 1 1
1 534 1 1 31 ASN HB3 H 19.155 -0.019 -1.703 1.00 . A A . 31 ASN HB3 1 1
1 535 1 1 31 ASN HD21 H 21.387 -0.425 -2.669 1.00 . A A . 31 ASN HD21 1 1
1 536 1 1 31 ASN HD22 H 21.628 -1.852 -3.553 1.00 . A A . 31 ASN HD22 1 1
1 537 1 1 31 ASN N N 18.754 -0.983 1.006 1.00 . A A . 31 ASN N 1 1
1 538 1 1 31 ASN ND2 N 21.104 -1.333 -2.909 1.00 . A A . 31 ASN ND2 1 1
1 539 1 1 31 ASN O O 21.989 -0.065 -0.379 1.00 . A A . 31 ASN O 1 1
1 540 1 1 31 ASN OD1 O 19.701 -2.981 -2.681 1.00 . A A . 31 ASN OD1 1 1
1 541 1 1 32 ALA C C 22.637 1.893 2.105 1.00 . A A . 32 ALA C 1 1
1 542 1 1 32 ALA CA C 21.591 2.237 1.031 1.00 . A A . 32 ALA CA 1 1
1 543 1 1 32 ALA CB C 20.784 3.467 1.462 1.00 . A A . 32 ALA CB 1 1
1 544 1 1 32 ALA H H 19.729 1.191 1.299 1.00 . A A . 32 ALA H 1 1
1 545 1 1 32 ALA HA H 22.076 2.444 0.090 1.00 . A A . 32 ALA HA 1 1
1 546 1 1 32 ALA HB1 H 19.985 3.165 2.123 1.00 . A A . 32 ALA HB1 1 1
1 547 1 1 32 ALA HB2 H 21.433 4.161 1.978 1.00 . A A . 32 ALA HB2 1 1
1 548 1 1 32 ALA HB3 H 20.366 3.948 0.590 1.00 . A A . 32 ALA HB3 1 1
1 549 1 1 32 ALA N N 20.606 1.118 0.867 1.00 . A A . 32 ALA N 1 1
1 550 1 1 32 ALA O O 22.429 1.009 2.918 1.00 . A A . 32 ALA O 1 1
1 551 1 1 33 LYS C C 24.322 2.617 4.536 1.00 . A A . 33 LYS C 1 1
1 552 1 1 33 LYS CA C 24.830 2.332 3.113 1.00 . A A . 33 LYS CA 1 1
1 553 1 1 33 LYS CB C 25.987 3.280 2.763 1.00 . A A . 33 LYS CB 1 1
1 554 1 1 33 LYS CD C 28.364 3.441 2.007 1.00 . A A . 33 LYS CD 1 1
1 555 1 1 33 LYS CE C 29.329 3.233 3.184 1.00 . A A . 33 LYS CE 1 1
1 556 1 1 33 LYS CG C 27.154 2.509 2.139 1.00 . A A . 33 LYS CG 1 1
1 557 1 1 33 LYS H H 23.870 3.293 1.433 1.00 . A A . 33 LYS H 1 1
1 558 1 1 33 LYS HA H 25.167 1.310 3.042 1.00 . A A . 33 LYS HA 1 1
1 559 1 1 33 LYS HB2 H 25.645 4.034 2.071 1.00 . A A . 33 LYS HB2 1 1
1 560 1 1 33 LYS HB3 H 26.329 3.763 3.664 1.00 . A A . 33 LYS HB3 1 1
1 561 1 1 33 LYS HD2 H 28.875 3.226 1.080 1.00 . A A . 33 LYS HD2 1 1
1 562 1 1 33 LYS HD3 H 28.026 4.467 1.997 1.00 . A A . 33 LYS HD3 1 1
1 563 1 1 33 LYS HE2 H 28.842 2.662 3.963 1.00 . A A . 33 LYS HE2 1 1
1 564 1 1 33 LYS HE3 H 30.221 2.725 2.851 1.00 . A A . 33 LYS HE3 1 1
1 565 1 1 33 LYS HG2 H 27.406 1.666 2.767 1.00 . A A . 33 LYS HG2 1 1
1 566 1 1 33 LYS HG3 H 26.867 2.156 1.159 1.00 . A A . 33 LYS HG3 1 1
1 567 1 1 33 LYS HZ1 H 29.991 5.206 2.909 1.00 . A A . 33 LYS HZ1 1 1
1 568 1 1 33 LYS HZ2 H 28.855 5.011 4.162 1.00 . A A . 33 LYS HZ2 1 1
1 569 1 1 33 LYS HZ3 H 30.461 4.508 4.381 1.00 . A A . 33 LYS HZ3 1 1
1 570 1 1 33 LYS N N 23.749 2.590 2.105 1.00 . A A . 33 LYS N 1 1
1 571 1 1 33 LYS NZ N 29.686 4.592 3.692 1.00 . A A . 33 LYS NZ 1 1
1 572 1 1 33 LYS O O 24.481 1.794 5.420 1.00 . A A . 33 LYS O 1 1
1 573 1 1 34 GLU C C 21.696 4.438 6.000 1.00 . A A . 34 GLU C 1 1
1 574 1 1 34 GLU CA C 23.201 4.141 6.094 1.00 . A A . 34 GLU CA 1 1
1 575 1 1 34 GLU CB C 24.017 5.378 6.499 1.00 . A A . 34 GLU CB 1 1
1 576 1 1 34 GLU CD C 26.449 4.939 5.807 1.00 . A A . 34 GLU CD 1 1
1 577 1 1 34 GLU CG C 25.430 4.976 6.960 1.00 . A A . 34 GLU CG 1 1
1 578 1 1 34 GLU H H 23.624 4.400 4.005 1.00 . A A . 34 GLU H 1 1
1 579 1 1 34 GLU HA H 23.378 3.346 6.802 1.00 . A A . 34 GLU HA 1 1
1 580 1 1 34 GLU HB2 H 24.091 6.047 5.654 1.00 . A A . 34 GLU HB2 1 1
1 581 1 1 34 GLU HB3 H 23.513 5.888 7.307 1.00 . A A . 34 GLU HB3 1 1
1 582 1 1 34 GLU HG2 H 25.772 5.690 7.694 1.00 . A A . 34 GLU HG2 1 1
1 583 1 1 34 GLU HG3 H 25.383 4.001 7.422 1.00 . A A . 34 GLU HG3 1 1
1 584 1 1 34 GLU N N 23.727 3.767 4.747 1.00 . A A . 34 GLU N 1 1
1 585 1 1 34 GLU O O 21.315 5.350 5.280 1.00 . A A . 34 GLU O 1 1
1 586 1 1 34 GLU OXT O 20.934 3.739 6.650 1.00 . A A . 34 GLU OXT 1 1
1 587 1 1 34 GLU OE1 O 26.406 5.793 4.934 1.00 . A A . 34 GLU OE1 1 1
1 588 1 1 34 GLU OE2 O 27.282 4.044 5.813 1.00 . A A . 34 GLU OE2 1 1
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