NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
585301 |
2mu6   |
25200 | cing | 4-filtered-FRED | STAR | entry | full | 185 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2mu6
# This FRED archive file contains, for PDB entry <2mu6>:
#
# - 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, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister,
# G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for
# 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396.
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.PDB_coordinate_file_version .
_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_2mu6
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 2mu6
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 2369.78
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 $STARP_antigen A . 1 1
stop_
save_
save_STARP_antigen
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "STARP antigen"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code KSMINAYLDKLDLETVRKIH
_Entity.Number_of_monomers 20
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 LYS . 1 1
2 SER . 1 1
3 MET . 1 1
4 ILE . 1 1
5 ASN . 1 1
6 ALA . 1 1
7 TYR . 1 1
8 LEU . 1 1
9 ASP . 1 1
10 LYS . 1 1
11 LEU . 1 1
12 ASP . 1 1
13 LEU . 1 1
14 GLU . 1 1
15 THR . 1 1
16 VAL . 1 1
17 ARG . 1 1
18 LYS . 1 1
19 ILE . 1 1
20 HIS . 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
LYS 1 1 1 1
SER 2 2 1 1
MET 3 3 1 1
ILE 4 4 1 1
ASN 5 5 1 1
ALA 6 6 1 1
TYR 7 7 1 1
LEU 8 8 1 1
ASP 9 9 1 1
LYS 10 10 1 1
LEU 11 11 1 1
ASP 12 12 1 1
LEU 13 13 1 1
GLU 14 14 1 1
THR 15 15 1 1
VAL 16 16 1 1
ARG 17 17 1 1
LYS 18 18 1 1
ILE 19 19 1 1
HIS 20 20 1 1
stop_
save_
save_Discover_distance_constraints_4_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
36 1 . . . 1 1
37 1 . . . 1 1
38 1 . . . 1 1
39 1 . . . 1 1
40 1 . . . 1 1
41 1 . . . 1 1
42 1 . . . 1 1
43 1 . . . 1 1
44 1 . . . 1 1
45 1 . . . 1 1
46 1 . . . 1 1
47 1 . . . 1 1
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
57 1 . . . 1 1
58 1 . . . 1 1
59 1 . . . 1 1
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
69 1 . . . 1 1
70 1 . . . 1 1
71 1 . . . 1 1
72 1 . . . 1 1
73 1 . . . 1 1
74 1 . . . 1 1
75 1 . . . 1 1
76 1 . . . 1 1
77 1 . . . 1 1
78 1 . . . 1 1
79 1 . . . 1 1
80 1 . . . 1 1
81 1 . . . 1 1
82 1 . . . 1 1
83 1 . . . 1 1
84 1 . . . 1 1
85 1 . . . 1 1
86 1 . . . 1 1
87 1 . . . 1 1
88 1 . . . 1 1
89 1 . . . 1 1
90 1 . . . 1 1
91 1 . . . 1 1
92 1 . . . 1 1
93 1 . . . 1 1
94 1 . . . 1 1
95 1 . . . 1 1
96 1 . . . 1 1
97 1 . . . 1 1
98 1 . . . 1 1
99 1 . . . 1 1
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
112 1 . . . 1 1
113 1 . . . 1 1
114 1 . . . 1 1
115 1 . . . 1 1
116 1 . . . 1 1
117 1 . . . 1 1
118 1 . . . 1 1
119 1 . . . 1 1
120 1 . . . 1 1
121 1 . . . 1 1
122 1 . . . 1 1
123 1 . . . 1 1
124 1 . . . 1 1
125 1 . . . 1 1
126 1 . . . 1 1
127 1 . . . 1 1
128 1 . . . 1 1
129 1 . . . 1 1
130 1 . . . 1 1
131 1 . . . 1 1
132 1 . . . 1 1
133 1 . . . 1 1
134 1 . . . 1 1
135 1 . . . 1 1
136 1 . . . 1 1
137 1 . . . 1 1
138 1 . . . 1 1
139 1 . . . 1 1
140 1 . . . 1 1
141 1 . . . 1 1
142 1 . . . 1 1
143 1 . . . 1 1
144 1 . . . 1 1
145 1 . . . 1 1
146 1 . . . 1 1
147 1 . . . 1 1
148 1 . . . 1 1
149 1 . . . 1 1
150 1 . . . 1 1
151 1 . . . 1 1
152 1 . . . 1 1
153 1 . . . 1 1
154 1 . . . 1 1
155 1 . . . 1 1
156 1 . . . 1 1
157 1 . . . 1 1
158 1 . . . 1 1
159 1 . . . 1 1
160 1 . . . 1 1
161 1 . . . 1 1
162 1 . . . 1 1
163 1 . . . 1 1
164 1 . . . 1 1
165 1 . . . 1 1
166 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 LYS HA 1 1 LYS HA 1 1
1 1 2 1 1 1 LYS HB2 1 1 LYS HBR 1 1
2 1 1 1 1 1 LYS HA 1 1 LYS HA 1 1
2 1 2 1 1 1 LYS HB3 1 1 LYS HBS 1 1
3 1 1 1 1 1 LYS HA 1 1 LYS HA 1 1
3 1 2 1 1 1 LYS QD 1 1 LYS HD* 1 1
4 1 1 1 1 1 LYS HA 1 1 LYS HA 1 1
4 1 2 1 1 1 LYS HG2 1 1 LYS HGR 1 1
5 1 1 1 1 1 LYS HA 1 1 LYS HA 1 1
5 1 2 1 1 1 LYS HG3 1 1 LYS HGS 1 1
6 1 1 1 1 1 LYS HA 1 1 LYS HA 1 1
6 1 2 1 1 2 SER H 1 2 SER HN 1 1
7 1 1 1 1 1 LYS HA 1 1 LYS HA 1 1
7 1 2 1 1 4 ILE H 1 4 ILE HN 1 1
8 1 1 1 1 1 LYS HA 1 1 LYS HA 1 1
8 1 2 1 1 5 ASN H 1 5 ASN HN 1 1
9 1 1 1 1 2 SER H 1 2 SER HN 1 1
9 1 2 1 1 2 SER HA 1 2 SER HA 1 1
10 1 1 1 1 2 SER H 1 2 SER HN 1 1
10 1 2 1 1 2 SER QB 1 2 SER HB* 1 1
11 1 1 1 1 2 SER H 1 2 SER HN 1 1
11 1 2 1 1 3 MET H 1 3 MET HN 1 1
12 1 1 1 1 2 SER H 1 2 SER HN 1 1
12 1 2 1 1 4 ILE H 1 4 ILE HN 1 1
13 1 1 1 1 2 SER HA 1 2 SER HA 1 1
13 1 2 1 1 3 MET H 1 3 MET HN 1 1
14 1 1 1 1 2 SER HA 1 2 SER HA 1 1
14 1 2 1 1 5 ASN H 1 5 ASN HN 1 1
15 1 1 1 1 3 MET H 1 3 MET HN 1 1
15 1 2 1 1 3 MET HA 1 3 MET HA 1 1
16 1 1 1 1 3 MET H 1 3 MET HN 1 1
16 1 2 1 1 3 MET QB 1 3 MET HB* 1 1
17 1 1 1 1 3 MET H 1 3 MET HN 1 1
17 1 2 1 1 3 MET HG2 1 3 MET HGS 1 1
18 1 1 1 1 3 MET H 1 3 MET HN 1 1
18 1 2 1 1 3 MET HG3 1 3 MET HGR 1 1
19 1 1 1 1 3 MET H 1 3 MET HN 1 1
19 1 2 1 1 4 ILE H 1 4 ILE HN 1 1
20 1 1 1 1 3 MET HA 1 3 MET HA 1 1
20 1 2 1 1 3 MET HG2 1 3 MET HGS 1 1
21 1 1 1 1 3 MET HA 1 3 MET HA 1 1
21 1 2 1 1 3 MET HG3 1 3 MET HGR 1 1
22 1 1 1 1 3 MET HA 1 3 MET HA 1 1
22 1 2 1 1 4 ILE H 1 4 ILE HN 1 1
23 1 1 1 1 3 MET HA 1 3 MET HA 1 1
23 1 2 1 1 6 ALA H 1 6 ALA HN 1 1
24 1 1 1 1 3 MET QB 1 3 MET HB* 1 1
24 1 2 1 1 4 ILE H 1 4 ILE HN 1 1
25 1 1 1 1 4 ILE H 1 4 ILE HN 1 1
25 1 2 1 1 4 ILE HA 1 4 ILE HA 1 1
26 1 1 1 1 4 ILE H 1 4 ILE HN 1 1
26 1 2 1 1 4 ILE HB 1 4 ILE HB 1 1
27 1 1 1 1 4 ILE H 1 4 ILE HN 1 1
27 1 2 1 1 4 ILE MG 1 4 ILE HG2* 1 1
28 1 1 1 1 4 ILE H 1 4 ILE HN 1 1
28 1 2 1 1 5 ASN H 1 5 ASN HN 1 1
29 1 1 1 1 4 ILE HA 1 4 ILE HA 1 1
29 1 2 1 1 4 ILE HB 1 4 ILE HB 1 1
30 1 1 1 1 4 ILE HA 1 4 ILE HA 1 1
30 1 2 1 1 4 ILE MG 1 4 ILE HG2* 1 1
31 1 1 1 1 4 ILE HA 1 4 ILE HA 1 1
31 1 2 1 1 5 ASN H 1 5 ASN HN 1 1
32 1 1 1 1 4 ILE HA 1 4 ILE HA 1 1
32 1 2 1 1 7 TYR H 1 7 TYR HN 1 1
33 1 1 1 1 5 ASN H 1 5 ASN HN 1 1
33 1 2 1 1 5 ASN HA 1 5 ASN HA 1 1
34 1 1 1 1 5 ASN H 1 5 ASN HN 1 1
34 1 2 1 1 5 ASN HB2 1 5 ASN HBS 1 1
35 1 1 1 1 5 ASN H 1 5 ASN HN 1 1
35 1 2 1 1 5 ASN HB3 1 5 ASN HBR 1 1
36 1 1 1 1 5 ASN H 1 5 ASN HN 1 1
36 1 2 1 1 6 ALA H 1 6 ALA HN 1 1
37 1 1 1 1 5 ASN HA 1 5 ASN HA 1 1
37 1 2 1 1 5 ASN HB2 1 5 ASN HBS 1 1
38 1 1 1 1 5 ASN HA 1 5 ASN HA 1 1
38 1 2 1 1 5 ASN HB3 1 5 ASN HBR 1 1
39 1 1 1 1 5 ASN HA 1 5 ASN HA 1 1
39 1 2 1 1 6 ALA H 1 6 ALA HN 1 1
40 1 1 1 1 5 ASN HB2 1 5 ASN HBS 1 1
40 1 2 1 1 6 ALA H 1 6 ALA HN 1 1
41 1 1 1 1 5 ASN HB3 1 5 ASN HBR 1 1
41 1 2 1 1 6 ALA H 1 6 ALA HN 1 1
42 1 1 1 1 6 ALA H 1 6 ALA HN 1 1
42 1 2 1 1 6 ALA HA 1 6 ALA HA 1 1
43 1 1 1 1 6 ALA H 1 6 ALA HN 1 1
43 1 2 1 1 6 ALA MB 1 6 ALA HB* 1 1
44 1 1 1 1 6 ALA H 1 6 ALA HN 1 1
44 1 2 1 1 7 TYR H 1 7 TYR HN 1 1
45 1 1 1 1 6 ALA HA 1 6 ALA HA 1 1
45 1 2 1 1 7 TYR H 1 7 TYR HN 1 1
46 1 1 1 1 6 ALA MB 1 6 ALA HB* 1 1
46 1 2 1 1 7 TYR H 1 7 TYR HN 1 1
47 1 1 1 1 7 TYR H 1 7 TYR HN 1 1
47 1 2 1 1 7 TYR HA 1 7 TYR HA 1 1
48 1 1 1 1 7 TYR H 1 7 TYR HN 1 1
48 1 2 1 1 7 TYR QB 1 7 TYR HB* 1 1
49 1 1 1 1 7 TYR H 1 7 TYR HN 1 1
49 1 2 1 1 8 LEU H 1 8 LEU HN 1 1
50 1 1 1 1 7 TYR HA 1 7 TYR HA 1 1
50 1 2 1 1 8 LEU H 1 8 LEU HN 1 1
51 1 1 1 1 7 TYR HA 1 7 TYR HA 1 1
51 1 2 1 1 11 LEU H 1 11 LEU HN 1 1
52 1 1 1 1 8 LEU H 1 8 LEU HN 1 1
52 1 2 1 1 8 LEU HA 1 8 LEU HA 1 1
53 1 1 1 1 8 LEU H 1 8 LEU HN 1 1
53 1 2 1 1 8 LEU QB 1 8 LEU HB* 1 1
54 1 1 1 1 8 LEU H 1 8 LEU HN 1 1
54 1 2 1 1 8 LEU QD 1 8 LEU HD* 1 1
55 1 1 1 1 8 LEU H 1 8 LEU HN 1 1
55 1 2 1 1 8 LEU HG 1 8 LEU HG 1 1
56 1 1 1 1 8 LEU H 1 8 LEU HN 1 1
56 1 2 1 1 9 ASP H 1 9 ASP HN 1 1
57 1 1 1 1 8 LEU HA 1 8 LEU HA 1 1
57 1 2 1 1 8 LEU QD 1 8 LEU HD* 1 1
58 1 1 1 1 8 LEU HA 1 8 LEU HA 1 1
58 1 2 1 1 8 LEU HG 1 8 LEU HG 1 1
59 1 1 1 1 8 LEU HA 1 8 LEU HA 1 1
59 1 2 1 1 9 ASP H 1 9 ASP HN 1 1
60 1 1 1 1 8 LEU HA 1 8 LEU HA 1 1
60 1 2 1 1 11 LEU H 1 11 LEU HN 1 1
61 1 1 1 1 8 LEU HA 1 8 LEU HA 1 1
61 1 2 1 1 12 ASP H 1 12 ASP HN 1 1
62 1 1 1 1 8 LEU QB 1 8 LEU HB* 1 1
62 1 2 1 1 9 ASP H 1 9 ASP HN 1 1
63 1 1 1 1 9 ASP H 1 9 ASP HN 1 1
63 1 2 1 1 9 ASP HA 1 9 ASP HA 1 1
64 1 1 1 1 9 ASP H 1 9 ASP HN 1 1
64 1 2 1 1 9 ASP HB2 1 9 ASP HBS 1 1
65 1 1 1 1 9 ASP H 1 9 ASP HN 1 1
65 1 2 1 1 9 ASP HB3 1 9 ASP HBR 1 1
66 1 1 1 1 9 ASP H 1 9 ASP HN 1 1
66 1 2 1 1 10 LYS H 1 10 LYS HN 1 1
67 1 1 1 1 9 ASP HA 1 9 ASP HA 1 1
67 1 2 1 1 9 ASP HB2 1 9 ASP HBS 1 1
68 1 1 1 1 9 ASP HA 1 9 ASP HA 1 1
68 1 2 1 1 9 ASP HB3 1 9 ASP HBR 1 1
69 1 1 1 1 9 ASP HA 1 9 ASP HA 1 1
69 1 2 1 1 10 LYS H 1 10 LYS HN 1 1
70 1 1 1 1 9 ASP HB2 1 9 ASP HBS 1 1
70 1 2 1 1 10 LYS H 1 10 LYS HN 1 1
71 1 1 1 1 9 ASP HB3 1 9 ASP HBR 1 1
71 1 2 1 1 10 LYS H 1 10 LYS HN 1 1
72 1 1 1 1 10 LYS H 1 10 LYS HN 1 1
72 1 2 1 1 10 LYS HA 1 10 LYS HA 1 1
73 1 1 1 1 10 LYS H 1 10 LYS HN 1 1
73 1 2 1 1 10 LYS QB 1 10 LYS HB* 1 1
74 1 1 1 1 10 LYS H 1 10 LYS HN 1 1
74 1 2 1 1 10 LYS QD 1 10 LYS HD* 1 1
75 1 1 1 1 10 LYS H 1 10 LYS HN 1 1
75 1 2 1 1 10 LYS QG 1 10 LYS HG* 1 1
76 1 1 1 1 10 LYS H 1 10 LYS HN 1 1
76 1 2 1 1 11 LEU H 1 11 LEU HN 1 1
77 1 1 1 1 10 LYS HA 1 10 LYS HA 1 1
77 1 2 1 1 10 LYS QD 1 10 LYS HD* 1 1
78 1 1 1 1 10 LYS HA 1 10 LYS HA 1 1
78 1 2 1 1 10 LYS QG 1 10 LYS HG* 1 1
79 1 1 1 1 10 LYS HA 1 10 LYS HA 1 1
79 1 2 1 1 11 LEU H 1 11 LEU HN 1 1
80 1 1 1 1 10 LYS HA 1 10 LYS HA 1 1
80 1 2 1 1 13 LEU H 1 13 LEU HN 1 1
81 1 1 1 1 10 LYS HA 1 10 LYS HA 1 1
81 1 2 1 1 14 GLU H 1 14 GLU HN 1 1
82 1 1 1 1 11 LEU H 1 11 LEU HN 1 1
82 1 2 1 1 11 LEU HA 1 11 LEU HA 1 1
83 1 1 1 1 11 LEU H 1 11 LEU HN 1 1
83 1 2 1 1 11 LEU QB 1 11 LEU HB* 1 1
84 1 1 1 1 11 LEU H 1 11 LEU HN 1 1
84 1 2 1 1 11 LEU QD 1 11 LEU HD* 1 1
85 1 1 1 1 11 LEU H 1 11 LEU HN 1 1
85 1 2 1 1 11 LEU HG 1 11 LEU HG 1 1
86 1 1 1 1 11 LEU H 1 11 LEU HN 1 1
86 1 2 1 1 12 ASP H 1 12 ASP HN 1 1
87 1 1 1 1 11 LEU HA 1 11 LEU HA 1 1
87 1 2 1 1 11 LEU QD 1 11 LEU HD* 1 1
88 1 1 1 1 11 LEU HA 1 11 LEU HA 1 1
88 1 2 1 1 11 LEU HG 1 11 LEU HG 1 1
89 1 1 1 1 11 LEU HA 1 11 LEU HA 1 1
89 1 2 1 1 12 ASP H 1 12 ASP HN 1 1
90 1 1 1 1 11 LEU HA 1 11 LEU HA 1 1
90 1 2 1 1 15 THR H 1 15 THR HN 1 1
91 1 1 1 1 12 ASP H 1 12 ASP HN 1 1
91 1 2 1 1 12 ASP HA 1 12 ASP HA 1 1
92 1 1 1 1 12 ASP H 1 12 ASP HN 1 1
92 1 2 1 1 12 ASP HB2 1 12 ASP HBS 1 1
93 1 1 1 1 12 ASP H 1 12 ASP HN 1 1
93 1 2 1 1 12 ASP HB3 1 12 ASP HBR 1 1
94 1 1 1 1 12 ASP H 1 12 ASP HN 1 1
94 1 2 1 1 13 LEU H 1 13 LEU HN 1 1
95 1 1 1 1 12 ASP HA 1 12 ASP HA 1 1
95 1 2 1 1 12 ASP HB2 1 12 ASP HBS 1 1
96 1 1 1 1 12 ASP HA 1 12 ASP HA 1 1
96 1 2 1 1 12 ASP HB3 1 12 ASP HBR 1 1
97 1 1 1 1 12 ASP HA 1 12 ASP HA 1 1
97 1 2 1 1 13 LEU H 1 13 LEU HN 1 1
98 1 1 1 1 12 ASP HA 1 12 ASP HA 1 1
98 1 2 1 1 15 THR H 1 15 THR HN 1 1
99 1 1 1 1 12 ASP HA 1 12 ASP HA 1 1
99 1 2 1 1 16 VAL H 1 16 VAL HN 1 1
100 1 1 1 1 13 LEU H 1 13 LEU HN 1 1
100 1 2 1 1 13 LEU HA 1 13 LEU HA 1 1
101 1 1 1 1 13 LEU H 1 13 LEU HN 1 1
101 1 2 1 1 13 LEU QB 1 13 LEU HB* 1 1
102 1 1 1 1 13 LEU H 1 13 LEU HN 1 1
102 1 2 1 1 13 LEU QD 1 13 LEU HDR* 1 1
103 1 1 1 1 13 LEU H 1 13 LEU HN 1 1
103 1 2 1 1 14 GLU H 1 14 GLU HN 1 1
104 1 1 1 1 13 LEU HA 1 13 LEU HA 1 1
104 1 2 1 1 13 LEU QD 1 13 LEU HDR* 1 1
105 1 1 1 1 13 LEU HA 1 13 LEU HA 1 1
105 1 2 1 1 14 GLU H 1 14 GLU HN 1 1
106 1 1 1 1 13 LEU HA 1 13 LEU HA 1 1
106 1 2 1 1 17 ARG H 1 17 ARG HN 1 1
107 1 1 1 1 14 GLU H 1 14 GLU HN 1 1
107 1 2 1 1 14 GLU HA 1 14 GLU HA 1 1
108 1 1 1 1 14 GLU H 1 14 GLU HN 1 1
108 1 2 1 1 14 GLU HB2 1 14 GLU HBR 1 1
109 1 1 1 1 14 GLU H 1 14 GLU HN 1 1
109 1 2 1 1 14 GLU HB3 1 14 GLU HBS 1 1
110 1 1 1 1 14 GLU H 1 14 GLU HN 1 1
110 1 2 1 1 14 GLU QG 1 14 GLU HG* 1 1
111 1 1 1 1 14 GLU H 1 14 GLU HN 1 1
111 1 2 1 1 15 THR H 1 15 THR HN 1 1
112 1 1 1 1 14 GLU H 1 14 GLU HN 1 1
112 1 2 1 1 16 VAL H 1 16 VAL HN 1 1
113 1 1 1 1 14 GLU HA 1 14 GLU HA 1 1
113 1 2 1 1 14 GLU HB2 1 14 GLU HBR 1 1
114 1 1 1 1 14 GLU HA 1 14 GLU HA 1 1
114 1 2 1 1 14 GLU HB3 1 14 GLU HBS 1 1
115 1 1 1 1 14 GLU HA 1 14 GLU HA 1 1
115 1 2 1 1 14 GLU QG 1 14 GLU HG* 1 1
116 1 1 1 1 14 GLU HA 1 14 GLU HA 1 1
116 1 2 1 1 15 THR H 1 15 THR HN 1 1
117 1 1 1 1 14 GLU HA 1 14 GLU HA 1 1
117 1 2 1 1 17 ARG H 1 17 ARG HN 1 1
118 1 1 1 1 14 GLU HA 1 14 GLU HA 1 1
118 1 2 1 1 18 LYS H 1 18 LYS HN 1 1
119 1 1 1 1 15 THR H 1 15 THR HN 1 1
119 1 2 1 1 15 THR HA 1 15 THR HA 1 1
120 1 1 1 1 15 THR H 1 15 THR HN 1 1
120 1 2 1 1 15 THR HB 1 15 THR HB 1 1
121 1 1 1 1 15 THR H 1 15 THR HN 1 1
121 1 2 1 1 15 THR MG 1 15 THR HG2* 1 1
122 1 1 1 1 15 THR H 1 15 THR HN 1 1
122 1 2 1 1 16 VAL H 1 16 VAL HN 1 1
123 1 1 1 1 15 THR H 1 15 THR HN 1 1
123 1 2 1 1 17 ARG H 1 17 ARG HN 1 1
124 1 1 1 1 15 THR HA 1 15 THR HA 1 1
124 1 2 1 1 15 THR HB 1 15 THR HB 1 1
125 1 1 1 1 15 THR HA 1 15 THR HA 1 1
125 1 2 1 1 15 THR MG 1 15 THR HG2* 1 1
126 1 1 1 1 15 THR HA 1 15 THR HA 1 1
126 1 2 1 1 16 VAL H 1 16 VAL HN 1 1
127 1 1 1 1 16 VAL H 1 16 VAL HN 1 1
127 1 2 1 1 16 VAL HA 1 16 VAL HA 1 1
128 1 1 1 1 16 VAL H 1 16 VAL HN 1 1
128 1 2 1 1 16 VAL HB 1 16 VAL HB 1 1
129 1 1 1 1 16 VAL H 1 16 VAL HN 1 1
129 1 2 1 1 16 VAL QG 1 16 VAL HG* 1 1
130 1 1 1 1 16 VAL H 1 16 VAL HN 1 1
130 1 2 1 1 17 ARG H 1 17 ARG HN 1 1
131 1 1 1 1 16 VAL H 1 16 VAL HN 1 1
131 1 2 1 1 18 LYS H 1 18 LYS HN 1 1
132 1 1 1 1 16 VAL HA 1 16 VAL HA 1 1
132 1 2 1 1 16 VAL HB 1 16 VAL HB 1 1
133 1 1 1 1 16 VAL HA 1 16 VAL HA 1 1
133 1 2 1 1 16 VAL QG 1 16 VAL HG* 1 1
134 1 1 1 1 16 VAL HA 1 16 VAL HA 1 1
134 1 2 1 1 17 ARG H 1 17 ARG HN 1 1
135 1 1 1 1 17 ARG H 1 17 ARG HN 1 1
135 1 2 1 1 17 ARG HA 1 17 ARG HA 1 1
136 1 1 1 1 17 ARG H 1 17 ARG HN 1 1
136 1 2 1 1 17 ARG HB2 1 17 ARG HBR 1 1
137 1 1 1 1 17 ARG H 1 17 ARG HN 1 1
137 1 2 1 1 17 ARG HB3 1 17 ARG HBS 1 1
138 1 1 1 1 17 ARG H 1 17 ARG HN 1 1
138 1 2 1 1 17 ARG QG 1 17 ARG HG* 1 1
139 1 1 1 1 17 ARG H 1 17 ARG HN 1 1
139 1 2 1 1 18 LYS H 1 18 LYS HN 1 1
140 1 1 1 1 17 ARG HA 1 17 ARG HA 1 1
140 1 2 1 1 17 ARG HB2 1 17 ARG HBR 1 1
141 1 1 1 1 17 ARG HA 1 17 ARG HA 1 1
141 1 2 1 1 17 ARG HB3 1 17 ARG HBS 1 1
142 1 1 1 1 17 ARG HA 1 17 ARG HA 1 1
142 1 2 1 1 17 ARG QD 1 17 ARG HD* 1 1
143 1 1 1 1 17 ARG HA 1 17 ARG HA 1 1
143 1 2 1 1 17 ARG QG 1 17 ARG HG* 1 1
144 1 1 1 1 17 ARG HA 1 17 ARG HA 1 1
144 1 2 1 1 18 LYS H 1 18 LYS HN 1 1
145 1 1 1 1 18 LYS H 1 18 LYS HN 1 1
145 1 2 1 1 18 LYS HA 1 18 LYS HA 1 1
146 1 1 1 1 18 LYS H 1 18 LYS HN 1 1
146 1 2 1 1 18 LYS QB 1 18 LYS HB* 1 1
147 1 1 1 1 18 LYS H 1 18 LYS HN 1 1
147 1 2 1 1 18 LYS QD 1 18 LYS HD* 1 1
148 1 1 1 1 18 LYS H 1 18 LYS HN 1 1
148 1 2 1 1 18 LYS HG2 1 18 LYS HGR 1 1
149 1 1 1 1 18 LYS H 1 18 LYS HN 1 1
149 1 2 1 1 18 LYS HG3 1 18 LYS HGS 1 1
150 1 1 1 1 18 LYS H 1 18 LYS HN 1 1
150 1 2 1 1 19 ILE H 1 19 ILE HN 1 1
151 1 1 1 1 18 LYS HA 1 18 LYS HA 1 1
151 1 2 1 1 18 LYS QD 1 18 LYS HD* 1 1
152 1 1 1 1 18 LYS HA 1 18 LYS HA 1 1
152 1 2 1 1 18 LYS HG2 1 18 LYS HGR 1 1
153 1 1 1 1 18 LYS HA 1 18 LYS HA 1 1
153 1 2 1 1 18 LYS HG3 1 18 LYS HGS 1 1
154 1 1 1 1 18 LYS HA 1 18 LYS HA 1 1
154 1 2 1 1 19 ILE H 1 19 ILE HN 1 1
155 1 1 1 1 19 ILE H 1 19 ILE HN 1 1
155 1 2 1 1 19 ILE HA 1 19 ILE HA 1 1
156 1 1 1 1 19 ILE H 1 19 ILE HN 1 1
156 1 2 1 1 19 ILE HB 1 19 ILE HB 1 1
157 1 1 1 1 19 ILE H 1 19 ILE HN 1 1
157 1 2 1 1 19 ILE MG 1 19 ILE HG2* 1 1
158 1 1 1 1 19 ILE H 1 19 ILE HN 1 1
158 1 2 1 1 20 HIS H 1 20 HIS HN 1 1
159 1 1 1 1 19 ILE HA 1 19 ILE HA 1 1
159 1 2 1 1 19 ILE HB 1 19 ILE HB 1 1
160 1 1 1 1 19 ILE HA 1 19 ILE HA 1 1
160 1 2 1 1 19 ILE MG 1 19 ILE HG2* 1 1
161 1 1 1 1 19 ILE HA 1 19 ILE HA 1 1
161 1 2 1 1 20 HIS H 1 20 HIS HN 1 1
162 1 1 1 1 20 HIS H 1 20 HIS HN 1 1
162 1 2 1 1 20 HIS HA 1 20 HIS HA 1 1
163 1 1 1 1 20 HIS H 1 20 HIS HN 1 1
163 1 2 1 1 20 HIS HB2 1 20 HIS HBS 1 1
164 1 1 1 1 20 HIS H 1 20 HIS HN 1 1
164 1 2 1 1 20 HIS HB3 1 20 HIS HBR 1 1
165 1 1 1 1 20 HIS HA 1 20 HIS HA 1 1
165 1 2 1 1 20 HIS HB2 1 20 HIS HBS 1 1
166 1 1 1 1 20 HIS HA 1 20 HIS HA 1 1
166 1 2 1 1 20 HIS HB3 1 20 HIS HBR 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 . . . . . 3.5 2.8 3.5 1 1
2 1 . . . . . 3.5 2.8 3.5 1 1
3 1 . . . . . 3.5 2.8 4.5 1 1
4 1 . . . . . 2.8 1.8 2.8 1 1
5 1 . . . . . 2.8 1.8 2.8 1 1
6 1 . . . . . 2.8 1.8 2.8 1 1
7 1 . . . . . 3.5 2.8 3.5 1 1
8 1 . . . . . 3.5 2.8 3.5 1 1
9 1 . . . . . 2.8 1.8 2.8 1 1
10 1 . . . . . 2.8 1.8 3.8 1 1
11 1 . . . . . 2.8 1.8 2.8 1 1
12 1 . . . . . 3.5 2.8 3.5 1 1
13 1 . . . . . 3.5 2.8 3.5 1 1
14 1 . . . . . 5.0 3.5 5.0 1 1
15 1 . . . . . 2.8 1.8 2.8 1 1
16 1 . . . . . 2.8 1.8 3.8 1 1
17 1 . . . . . 3.5 2.8 3.5 1 1
18 1 . . . . . 2.8 1.8 2.8 1 1
19 1 . . . . . 2.8 1.8 2.8 1 1
20 1 . . . . . 2.8 1.8 2.8 1 1
21 1 . . . . . 3.5 2.8 3.5 1 1
22 1 . . . . . 3.5 2.8 3.5 1 1
23 1 . . . . . 5.0 3.5 5.0 1 1
24 1 . . . . . 2.8 1.8 3.8 1 1
25 1 . . . . . 2.8 1.8 2.8 1 1
26 1 . . . . . 3.5 2.8 3.5 1 1
27 1 . . . . . 2.8 1.8 3.8 1 1
28 1 . . . . . 2.8 1.8 2.8 1 1
29 1 . . . . . 2.8 1.8 2.8 1 1
30 1 . . . . . 2.8 1.8 3.8 1 1
31 1 . . . . . 3.5 2.8 3.5 1 1
32 1 . . . . . 3.5 2.8 3.5 1 1
33 1 . . . . . 2.8 1.8 2.8 1 1
34 1 . . . . . 3.5 2.8 3.5 1 1
35 1 . . . . . 2.8 1.8 2.8 1 1
36 1 . . . . . 2.8 1.8 2.8 1 1
37 1 . . . . . 2.8 1.8 2.8 1 1
38 1 . . . . . 2.8 1.8 2.8 1 1
39 1 . . . . . 3.5 2.8 3.5 1 1
40 1 . . . . . 3.5 2.8 3.5 1 1
41 1 . . . . . 3.5 2.8 3.5 1 1
42 1 . . . . . 2.8 1.8 2.8 1 1
43 1 . . . . . 2.8 1.8 3.8 1 1
44 1 . . . . . 2.8 1.8 2.8 1 1
45 1 . . . . . 3.5 2.8 3.5 1 1
46 1 . . . . . 2.8 1.8 3.8 1 1
47 1 . . . . . 3.5 2.8 3.5 1 1
48 1 . . . . . 2.8 1.8 3.8 1 1
49 1 . . . . . 3.5 2.8 3.5 1 1
50 1 . . . . . 3.5 2.8 3.5 1 1
51 1 . . . . . 5.0 3.5 5.0 1 1
52 1 . . . . . 2.8 1.8 2.8 1 1
53 1 . . . . . 2.8 1.8 3.8 1 1
54 1 . . . . . 3.5 2.8 5.9 1 1
55 1 . . . . . 2.8 1.8 2.8 1 1
56 1 . . . . . 3.5 2.8 3.5 1 1
57 1 . . . . . 3.5 2.8 5.9 1 1
58 1 . . . . . 2.8 1.8 2.8 1 1
59 1 . . . . . 3.5 2.8 3.5 1 1
60 1 . . . . . 2.8 1.8 2.8 1 1
61 1 . . . . . 3.5 2.8 3.5 1 1
62 1 . . . . . 2.8 1.8 3.8 1 1
63 1 . . . . . 2.8 1.8 2.8 1 1
64 1 . . . . . 2.8 1.8 2.8 1 1
65 1 . . . . . 2.8 1.8 2.8 1 1
66 1 . . . . . 3.5 2.8 3.5 1 1
67 1 . . . . . 2.8 1.8 2.8 1 1
68 1 . . . . . 3.5 2.8 3.5 1 1
69 1 . . . . . 3.5 2.8 3.5 1 1
70 1 . . . . . 3.5 2.8 3.5 1 1
71 1 . . . . . 2.8 1.8 2.8 1 1
72 1 . . . . . 2.8 1.8 2.8 1 1
73 1 . . . . . 2.8 1.8 3.8 1 1
74 1 . . . . . 2.8 1.8 3.8 1 1
75 1 . . . . . 2.8 1.8 3.8 1 1
76 1 . . . . . 3.5 2.8 3.5 1 1
77 1 . . . . . 2.8 1.8 3.8 1 1
78 1 . . . . . 2.8 1.8 3.8 1 1
79 1 . . . . . 3.5 2.8 3.5 1 1
80 1 . . . . . 3.5 2.8 3.5 1 1
81 1 . . . . . 3.5 2.8 3.5 1 1
82 1 . . . . . 2.8 1.8 2.8 1 1
83 1 . . . . . 2.8 1.8 3.8 1 1
84 1 . . . . . 3.5 2.8 5.9 1 1
85 1 . . . . . 2.8 1.8 2.8 1 1
86 1 . . . . . 3.5 2.8 3.5 1 1
87 1 . . . . . 3.5 2.8 5.9 1 1
88 1 . . . . . 2.8 1.8 2.8 1 1
89 1 . . . . . 3.5 2.8 3.5 1 1
90 1 . . . . . 5.0 3.5 5.0 1 1
91 1 . . . . . 2.8 1.8 2.8 1 1
92 1 . . . . . 2.8 1.8 2.8 1 1
93 1 . . . . . 2.8 1.8 2.8 1 1
94 1 . . . . . 2.8 1.8 2.8 1 1
95 1 . . . . . 2.8 1.8 2.8 1 1
96 1 . . . . . 3.5 2.8 3.5 1 1
97 1 . . . . . 3.5 2.8 3.5 1 1
98 1 . . . . . 2.8 1.8 2.8 1 1
99 1 . . . . . 3.5 2.8 3.5 1 1
100 1 . . . . . 2.8 1.8 2.8 1 1
101 1 . . . . . 2.8 1.8 3.8 1 1
102 1 . . . . . 3.5 2.8 4.5 1 1
103 1 . . . . . 3.5 2.8 3.5 1 1
104 1 . . . . . 3.5 2.8 4.5 1 1
105 1 . . . . . 3.5 2.8 3.5 1 1
106 1 . . . . . 5.0 3.5 5.0 1 1
107 1 . . . . . 2.8 1.8 2.8 1 1
108 1 . . . . . 2.8 1.8 2.8 1 1
109 1 . . . . . 3.5 2.8 3.5 1 1
110 1 . . . . . 2.8 1.8 3.8 1 1
111 1 . . . . . 2.8 1.8 2.8 1 1
112 1 . . . . . 5.0 3.5 5.0 1 1
113 1 . . . . . 2.8 1.8 2.8 1 1
114 1 . . . . . 2.8 1.8 2.8 1 1
115 1 . . . . . 2.8 1.8 3.8 1 1
116 1 . . . . . 3.5 2.8 3.5 1 1
117 1 . . . . . 3.5 2.8 3.5 1 1
118 1 . . . . . 3.5 2.8 3.5 1 1
119 1 . . . . . 2.8 1.8 2.8 1 1
120 1 . . . . . 3.5 2.8 3.5 1 1
121 1 . . . . . 2.8 1.8 3.8 1 1
122 1 . . . . . 2.8 1.8 2.8 1 1
123 1 . . . . . 3.5 2.8 3.5 1 1
124 1 . . . . . 2.8 1.8 2.8 1 1
125 1 . . . . . 2.8 1.8 3.8 1 1
126 1 . . . . . 3.5 2.8 3.5 1 1
127 1 . . . . . 2.8 1.8 2.8 1 1
128 1 . . . . . 3.5 2.8 3.5 1 1
129 1 . . . . . 2.8 1.8 5.2 1 1
130 1 . . . . . 2.8 1.8 2.8 1 1
131 1 . . . . . 5.0 3.5 5.0 1 1
132 1 . . . . . 2.8 1.8 2.8 1 1
133 1 . . . . . 3.5 2.8 5.9 1 1
134 1 . . . . . 3.5 2.8 3.5 1 1
135 1 . . . . . 2.8 1.8 2.8 1 1
136 1 . . . . . 3.5 2.8 3.5 1 1
137 1 . . . . . 3.5 2.8 3.5 1 1
138 1 . . . . . 2.8 1.8 3.8 1 1
139 1 . . . . . 3.5 2.8 3.5 1 1
140 1 . . . . . 2.8 1.8 2.8 1 1
141 1 . . . . . 2.8 1.8 2.8 1 1
142 1 . . . . . 2.8 1.8 3.8 1 1
143 1 . . . . . 2.8 1.8 3.8 1 1
144 1 . . . . . 3.5 2.8 3.5 1 1
145 1 . . . . . 2.8 1.8 2.8 1 1
146 1 . . . . . 2.8 1.8 3.8 1 1
147 1 . . . . . 3.5 2.8 4.5 1 1
148 1 . . . . . 5.0 3.5 5.0 1 1
149 1 . . . . . 2.8 1.8 2.8 1 1
150 1 . . . . . 3.5 2.8 3.5 1 1
151 1 . . . . . 3.5 2.8 4.5 1 1
152 1 . . . . . 5.0 3.5 5.0 1 1
153 1 . . . . . 3.5 2.8 3.5 1 1
154 1 . . . . . 3.5 2.8 3.5 1 1
155 1 . . . . . 2.8 1.8 2.8 1 1
156 1 . . . . . 3.5 2.8 3.5 1 1
157 1 . . . . . 2.8 1.8 3.8 1 1
158 1 . . . . . 2.8 1.8 2.8 1 1
159 1 . . . . . 2.8 1.8 2.8 1 1
160 1 . . . . . 2.8 1.8 3.8 1 1
161 1 . . . . . 3.5 2.8 3.5 1 1
162 1 . . . . . 2.8 1.8 2.8 1 1
163 1 . . . . . 2.8 1.8 2.8 1 1
164 1 . . . . . 2.8 1.8 2.8 1 1
165 1 . . . . . 2.8 1.8 2.8 1 1
166 1 . . . . . 2.8 1.8 2.8 1 1
stop_
save_
save_Discover_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID 1
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID .
_Torsion_angle_constraint_list.Block_ID .
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . 1 1 1 LYS CA 1 1 1 LYS C 1 1 2 SER N 1 1 2 SER CA 178.0 179.99998 1 1 LYS CA 1 1 LYS C 1 2 SER N 1 2 SER CA 1 1
2 . 1 1 2 SER CA 1 1 2 SER C 1 1 3 MET N 1 1 3 MET CA 178.0 179.99998 1 2 SER CA 1 2 SER C 1 3 MET N 1 3 MET CA 1 1
3 . 1 1 3 MET CA 1 1 3 MET C 1 1 4 ILE N 1 1 4 ILE CA 178.0 179.99998 1 3 MET CA 1 3 MET C 1 4 ILE N 1 4 ILE CA 1 1
4 . 1 1 4 ILE CA 1 1 4 ILE C 1 1 5 ASN N 1 1 5 ASN CA 178.0 179.99998 1 4 ILE CA 1 4 ILE C 1 5 ASN N 1 5 ASN CA 1 1
5 . 1 1 5 ASN CA 1 1 5 ASN C 1 1 6 ALA N 1 1 6 ALA CA 178.0 179.99998 1 5 ASN CA 1 5 ASN C 1 6 ALA N 1 6 ALA CA 1 1
6 . 1 1 6 ALA CA 1 1 6 ALA C 1 1 7 TYR N 1 1 7 TYR CA 178.0 179.99998 1 6 ALA CA 1 6 ALA C 1 7 TYR N 1 7 TYR CA 1 1
7 . 1 1 7 TYR CA 1 1 7 TYR C 1 1 8 LEU N 1 1 8 LEU CA 178.0 179.99998 1 7 TYR CA 1 7 TYR C 1 8 LEU N 1 8 LEU CA 1 1
8 . 1 1 8 LEU CA 1 1 8 LEU C 1 1 9 ASP N 1 1 9 ASP CA 178.0 179.99998 1 8 LEU CA 1 8 LEU C 1 9 ASP N 1 9 ASP CA 1 1
9 . 1 1 9 ASP CA 1 1 9 ASP C 1 1 10 LYS N 1 1 10 LYS CA 178.0 179.99998 1 9 ASP CA 1 9 ASP C 1 10 LYS N 1 10 LYS CA 1 1
10 . 1 1 10 LYS CA 1 1 10 LYS C 1 1 11 LEU N 1 1 11 LEU CA 178.0 179.99998 1 10 LYS CA 1 10 LYS C 1 11 LEU N 1 11 LEU CA 1 1
11 . 1 1 11 LEU CA 1 1 11 LEU C 1 1 12 ASP N 1 1 12 ASP CA 178.0 179.99998 1 11 LEU CA 1 11 LEU C 1 12 ASP N 1 12 ASP CA 1 1
12 . 1 1 12 ASP CA 1 1 12 ASP C 1 1 13 LEU N 1 1 13 LEU CA 178.0 179.99998 1 12 ASP CA 1 12 ASP C 1 13 LEU N 1 13 LEU CA 1 1
13 . 1 1 13 LEU CA 1 1 13 LEU C 1 1 14 GLU N 1 1 14 GLU CA 178.0 179.99998 1 13 LEU CA 1 13 LEU C 1 14 GLU N 1 14 GLU CA 1 1
14 . 1 1 14 GLU CA 1 1 14 GLU C 1 1 15 THR N 1 1 15 THR CA 178.0 179.99998 1 14 GLU CA 1 14 GLU C 1 15 THR N 1 15 THR CA 1 1
15 . 1 1 15 THR CA 1 1 15 THR C 1 1 16 VAL N 1 1 16 VAL CA 178.0 179.99998 1 15 THR CA 1 15 THR C 1 16 VAL N 1 16 VAL CA 1 1
16 . 1 1 16 VAL CA 1 1 16 VAL C 1 1 17 ARG N 1 1 17 ARG CA 178.0 179.99998 1 16 VAL CA 1 16 VAL C 1 17 ARG N 1 17 ARG CA 1 1
17 . 1 1 17 ARG CA 1 1 17 ARG C 1 1 18 LYS N 1 1 18 LYS CA 178.0 179.99998 1 17 ARG CA 1 17 ARG C 1 18 LYS N 1 18 LYS CA 1 1
18 . 1 1 18 LYS CA 1 1 18 LYS C 1 1 19 ILE N 1 1 19 ILE CA 178.0 179.99998 1 18 LYS CA 1 18 LYS C 1 19 ILE N 1 19 ILE CA 1 1
19 . 1 1 19 ILE CA 1 1 19 ILE C 1 1 20 HIS N 1 1 20 HIS CA 178.0 179.99998 1 19 ILE CA 1 19 ILE C 1 20 HIS N 1 20 HIS CA 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 LYS C C -13.465 0.392 -2.605 1.00 . A A . 1 LYS C 1 1
1 2 1 1 1 LYS CA C -13.234 -0.963 -3.333 1.00 . A A . 1 LYS CA 1 1
1 3 1 1 1 LYS CB C -12.534 -0.860 -4.723 1.00 . A A . 1 LYS CB 1 1
1 4 1 1 1 LYS CD C -11.164 -2.010 -6.546 1.00 . A A . 1 LYS CD 1 1
1 5 1 1 1 LYS CE C -10.236 -3.180 -6.914 1.00 . A A . 1 LYS CE 1 1
1 6 1 1 1 LYS CG C -11.730 -2.117 -5.122 1.00 . A A . 1 LYS CG 1 1
1 7 1 1 1 LYS H1 H -14.529 -1.546 -4.762 1.00 . A A . 1 LYS H1 1 1
1 8 1 1 1 LYS HA H -12.653 -1.622 -2.651 1.00 . A A . 1 LYS HA 1 1
1 9 1 1 1 LYS HB2 H -13.231 -0.579 -5.543 1.00 . A A . 1 LYS HB2 1 1
1 10 1 1 1 LYS HB3 H -11.868 -0.001 -4.726 1.00 . A A . 1 LYS HB3 1 1
1 11 1 1 1 LYS HD2 H -12.018 -1.964 -7.251 1.00 . A A . 1 LYS HD2 1 1
1 12 1 1 1 LYS HD3 H -10.629 -1.048 -6.650 1.00 . A A . 1 LYS HD3 1 1
1 13 1 1 1 LYS HE2 H -9.381 -3.230 -6.215 1.00 . A A . 1 LYS HE2 1 1
1 14 1 1 1 LYS HE3 H -10.771 -4.144 -6.821 1.00 . A A . 1 LYS HE3 1 1
1 15 1 1 1 LYS HG2 H -10.938 -2.233 -4.375 1.00 . A A . 1 LYS HG2 1 1
1 16 1 1 1 LYS HG3 H -12.316 -3.052 -5.039 1.00 . A A . 1 LYS HG3 1 1
1 17 1 1 1 LYS HZ1 H -10.505 -3.003 -8.953 1.00 . A A . 1 LYS HZ1 1 1
1 18 1 1 1 LYS HZ2 H -9.221 -2.159 -8.394 1.00 . A A . 1 LYS HZ2 1 1
1 19 1 1 1 LYS N N -14.487 -1.598 -3.745 1.00 . A A . 1 LYS N 1 1
1 20 1 1 1 LYS NZ N -9.723 -3.048 -8.290 1.00 . A A . 1 LYS NZ 1 1
1 21 1 1 1 LYS O O -13.093 1.470 -3.078 1.00 . A A . 1 LYS O 1 1
1 22 1 1 2 SER C C -13.259 1.498 0.581 1.00 . A A . 2 SER C 1 1
1 23 1 1 2 SER CA C -14.365 1.417 -0.509 1.00 . A A . 2 SER CA 1 1
1 24 1 1 2 SER CB C -15.805 1.329 0.052 1.00 . A A . 2 SER CB 1 1
1 25 1 1 2 SER H H -14.531 -0.618 -1.289 1.00 . A A . 2 SER H 1 1
1 26 1 1 2 SER HA H -14.322 2.335 -1.097 1.00 . A A . 2 SER HA 1 1
1 27 1 1 2 SER HB2 H -15.964 0.387 0.609 1.00 . A A . 2 SER HB2 1 1
1 28 1 1 2 SER HB3 H -15.983 2.146 0.776 1.00 . A A . 2 SER HB3 1 1
1 29 1 1 2 SER HG H -16.618 2.278 -1.413 1.00 . A A . 2 SER HG 1 1
1 30 1 1 2 SER N N -14.075 0.283 -1.416 1.00 . A A . 2 SER N 1 1
1 31 1 1 2 SER O O -12.517 2.483 0.634 1.00 . A A . 2 SER O 1 1
1 32 1 1 2 SER OG O -16.771 1.429 -0.991 1.00 . A A . 2 SER OG 1 1
1 33 1 1 3 MET C C -10.853 -0.441 2.056 1.00 . A A . 3 MET C 1 1
1 34 1 1 3 MET CA C -12.140 0.334 2.494 1.00 . A A . 3 MET CA 1 1
1 35 1 1 3 MET CB C -12.751 -0.318 3.764 1.00 . A A . 3 MET CB 1 1
1 36 1 1 3 MET CE C -15.630 0.829 6.560 1.00 . A A . 3 MET CE 1 1
1 37 1 1 3 MET CG C -13.916 0.454 4.404 1.00 . A A . 3 MET CG 1 1
1 38 1 1 3 MET H H -13.972 -0.154 1.419 1.00 . A A . 3 MET H 1 1
1 39 1 1 3 MET HA H -11.841 1.348 2.777 1.00 . A A . 3 MET HA 1 1
1 40 1 1 3 MET HB2 H -13.074 -1.356 3.555 1.00 . A A . 3 MET HB2 1 1
1 41 1 1 3 MET HB3 H -11.962 -0.411 4.531 1.00 . A A . 3 MET HB3 1 1
1 42 1 1 3 MET HE1 H -15.990 0.533 7.562 1.00 . A A . 3 MET HE1 1 1
1 43 1 1 3 MET HE2 H -16.483 0.771 5.859 1.00 . A A . 3 MET HE2 1 1
1 44 1 1 3 MET HE3 H -15.295 1.881 6.613 1.00 . A A . 3 MET HE3 1 1
1 45 1 1 3 MET HG2 H -13.656 1.522 4.511 1.00 . A A . 3 MET HG2 1 1
1 46 1 1 3 MET HG3 H -14.817 0.408 3.764 1.00 . A A . 3 MET HG3 1 1
1 47 1 1 3 MET N N -13.160 0.457 1.428 1.00 . A A . 3 MET N 1 1
1 48 1 1 3 MET O O -9.756 -0.046 2.457 1.00 . A A . 3 MET O 1 1
1 49 1 1 3 MET SD S -14.286 -0.249 6.028 1.00 . A A . 3 MET SD 1 1
1 50 1 1 4 ILE C C -8.798 -1.644 -0.161 1.00 . A A . 4 ILE C 1 1
1 51 1 1 4 ILE CA C -9.844 -2.355 0.761 1.00 . A A . 4 ILE CA 1 1
1 52 1 1 4 ILE CB C -10.351 -3.745 0.227 1.00 . A A . 4 ILE CB 1 1
1 53 1 1 4 ILE CD1 C -9.609 -6.240 -0.105 1.00 . A A . 4 ILE CD1 1 1
1 54 1 1 4 ILE CG1 C -9.192 -4.765 0.013 1.00 . A A . 4 ILE CG1 1 1
1 55 1 1 4 ILE CG2 C -11.240 -3.624 -1.035 1.00 . A A . 4 ILE CG2 1 1
1 56 1 1 4 ILE H H -11.911 -1.607 0.829 1.00 . A A . 4 ILE H 1 1
1 57 1 1 4 ILE HA H -9.299 -2.592 1.676 1.00 . A A . 4 ILE HA 1 1
1 58 1 1 4 ILE HB H -10.982 -4.189 1.023 1.00 . A A . 4 ILE HB 1 1
1 59 1 1 4 ILE HD11 H -10.173 -6.577 0.784 1.00 . A A . 4 ILE HD11 1 1
1 60 1 1 4 ILE HD12 H -10.241 -6.424 -0.993 1.00 . A A . 4 ILE HD12 1 1
1 61 1 1 4 ILE HD13 H -8.723 -6.894 -0.198 1.00 . A A . 4 ILE HD13 1 1
1 62 1 1 4 ILE HG12 H -8.602 -4.486 -0.880 1.00 . A A . 4 ILE HG12 1 1
1 63 1 1 4 ILE HG13 H -8.482 -4.694 0.858 1.00 . A A . 4 ILE HG13 1 1
1 64 1 1 4 ILE HG21 H -10.675 -3.222 -1.896 1.00 . A A . 4 ILE HG21 1 1
1 65 1 1 4 ILE HG22 H -11.663 -4.598 -1.335 1.00 . A A . 4 ILE HG22 1 1
1 66 1 1 4 ILE HG23 H -12.096 -2.950 -0.855 1.00 . A A . 4 ILE HG23 1 1
1 67 1 1 4 ILE N N -10.983 -1.522 1.249 1.00 . A A . 4 ILE N 1 1
1 68 1 1 4 ILE O O -7.605 -1.939 -0.034 1.00 . A A . 4 ILE O 1 1
1 69 1 1 5 ASN C C -7.216 0.857 -1.221 1.00 . A A . 5 ASN C 1 1
1 70 1 1 5 ASN CA C -8.317 0.035 -1.960 1.00 . A A . 5 ASN CA 1 1
1 71 1 1 5 ASN CB C -9.189 0.877 -2.932 1.00 . A A . 5 ASN CB 1 1
1 72 1 1 5 ASN CG C -9.970 2.112 -2.421 1.00 . A A . 5 ASN CG 1 1
1 73 1 1 5 ASN H H -10.221 -0.542 -1.078 1.00 . A A . 5 ASN H 1 1
1 74 1 1 5 ASN HA H -7.801 -0.716 -2.583 1.00 . A A . 5 ASN HA 1 1
1 75 1 1 5 ASN HB2 H -8.544 1.163 -3.771 1.00 . A A . 5 ASN HB2 1 1
1 76 1 1 5 ASN HB3 H -9.943 0.211 -3.367 1.00 . A A . 5 ASN HB3 1 1
1 77 1 1 5 ASN HD21 H -9.342 3.199 -3.984 1.00 . A A . 5 ASN HD21 1 1
1 78 1 1 5 ASN HD22 H -10.445 4.028 -2.774 1.00 . A A . 5 ASN HD22 1 1
1 79 1 1 5 ASN N N -9.221 -0.737 -1.065 1.00 . A A . 5 ASN N 1 1
1 80 1 1 5 ASN ND2 N -9.913 3.227 -3.132 1.00 . A A . 5 ASN ND2 1 1
1 81 1 1 5 ASN O O -6.024 0.723 -1.505 1.00 . A A . 5 ASN O 1 1
1 82 1 1 5 ASN OD1 O -10.640 2.069 -1.392 1.00 . A A . 5 ASN OD1 1 1
1 83 1 1 6 ALA C C -5.877 1.710 1.576 1.00 . A A . 6 ALA C 1 1
1 84 1 1 6 ALA CA C -6.817 2.506 0.616 1.00 . A A . 6 ALA CA 1 1
1 85 1 1 6 ALA CB C -7.717 3.477 1.403 1.00 . A A . 6 ALA CB 1 1
1 86 1 1 6 ALA H H -8.696 1.702 -0.274 1.00 . A A . 6 ALA H 1 1
1 87 1 1 6 ALA HA H -6.192 3.115 -0.054 1.00 . A A . 6 ALA HA 1 1
1 88 1 1 6 ALA HB1 H -8.339 4.100 0.732 1.00 . A A . 6 ALA HB1 1 1
1 89 1 1 6 ALA HB2 H -7.118 4.177 2.016 1.00 . A A . 6 ALA HB2 1 1
1 90 1 1 6 ALA HB3 H -8.405 2.948 2.091 1.00 . A A . 6 ALA HB3 1 1
1 91 1 1 6 ALA N N -7.673 1.668 -0.256 1.00 . A A . 6 ALA N 1 1
1 92 1 1 6 ALA O O -4.765 2.173 1.844 1.00 . A A . 6 ALA O 1 1
1 93 1 1 7 TYR C C -4.259 -0.933 2.223 1.00 . A A . 7 TYR C 1 1
1 94 1 1 7 TYR CA C -5.498 -0.347 2.965 1.00 . A A . 7 TYR CA 1 1
1 95 1 1 7 TYR CB C -6.354 -1.471 3.629 1.00 . A A . 7 TYR CB 1 1
1 96 1 1 7 TYR CD1 C -7.590 0.085 5.298 1.00 . A A . 7 TYR CD1 1 1
1 97 1 1 7 TYR CD2 C -8.550 -2.057 4.732 1.00 . A A . 7 TYR CD2 1 1
1 98 1 1 7 TYR CE1 C -8.663 0.339 6.149 1.00 . A A . 7 TYR CE1 1 1
1 99 1 1 7 TYR CE2 C -9.619 -1.803 5.588 1.00 . A A . 7 TYR CE2 1 1
1 100 1 1 7 TYR CG C -7.528 -1.113 4.570 1.00 . A A . 7 TYR CG 1 1
1 101 1 1 7 TYR CZ C -9.676 -0.605 6.294 1.00 . A A . 7 TYR CZ 1 1
1 102 1 1 7 TYR H H -7.244 0.261 1.724 1.00 . A A . 7 TYR H 1 1
1 103 1 1 7 TYR HA H -5.099 0.276 3.781 1.00 . A A . 7 TYR HA 1 1
1 104 1 1 7 TYR HB2 H -6.730 -2.133 2.823 1.00 . A A . 7 TYR HB2 1 1
1 105 1 1 7 TYR HB3 H -5.673 -2.121 4.212 1.00 . A A . 7 TYR HB3 1 1
1 106 1 1 7 TYR HD1 H -6.812 0.829 5.211 1.00 . A A . 7 TYR HD1 1 1
1 107 1 1 7 TYR HD2 H -8.526 -2.995 4.194 1.00 . A A . 7 TYR HD2 1 1
1 108 1 1 7 TYR HE1 H -8.704 1.270 6.697 1.00 . A A . 7 TYR HE1 1 1
1 109 1 1 7 TYR HE2 H -10.405 -2.537 5.697 1.00 . A A . 7 TYR HE2 1 1
1 110 1 1 7 TYR HH H -11.339 -1.098 7.103 1.00 . A A . 7 TYR HH 1 1
1 111 1 1 7 TYR N N -6.317 0.531 2.079 1.00 . A A . 7 TYR N 1 1
1 112 1 1 7 TYR O O -3.126 -0.662 2.630 1.00 . A A . 7 TYR O 1 1
1 113 1 1 7 TYR OH O -10.738 -0.350 7.125 1.00 . A A . 7 TYR OH 1 1
1 114 1 1 8 LEU C C -2.465 -1.283 -0.457 1.00 . A A . 8 LEU C 1 1
1 115 1 1 8 LEU CA C -3.397 -2.276 0.292 1.00 . A A . 8 LEU CA 1 1
1 116 1 1 8 LEU CB C -3.981 -3.348 -0.672 1.00 . A A . 8 LEU CB 1 1
1 117 1 1 8 LEU CD1 C -5.396 -5.455 -0.937 1.00 . A A . 8 LEU CD1 1 1
1 118 1 1 8 LEU CD2 C -3.283 -5.569 0.441 1.00 . A A . 8 LEU CD2 1 1
1 119 1 1 8 LEU CG C -4.457 -4.669 -0.002 1.00 . A A . 8 LEU CG 1 1
1 120 1 1 8 LEU H H -5.466 -1.902 0.972 1.00 . A A . 8 LEU H 1 1
1 121 1 1 8 LEU HA H -2.714 -2.768 1.003 1.00 . A A . 8 LEU HA 1 1
1 122 1 1 8 LEU HB2 H -4.814 -2.887 -1.241 1.00 . A A . 8 LEU HB2 1 1
1 123 1 1 8 LEU HB3 H -3.239 -3.610 -1.452 1.00 . A A . 8 LEU HB3 1 1
1 124 1 1 8 LEU HD11 H -4.886 -5.780 -1.863 1.00 . A A . 8 LEU HD11 1 1
1 125 1 1 8 LEU HD12 H -5.797 -6.362 -0.446 1.00 . A A . 8 LEU HD12 1 1
1 126 1 1 8 LEU HD13 H -6.268 -4.849 -1.241 1.00 . A A . 8 LEU HD13 1 1
1 127 1 1 8 LEU HD21 H -2.617 -5.059 1.160 1.00 . A A . 8 LEU HD21 1 1
1 128 1 1 8 LEU HD22 H -3.641 -6.488 0.942 1.00 . A A . 8 LEU HD22 1 1
1 129 1 1 8 LEU HD23 H -2.657 -5.885 -0.415 1.00 . A A . 8 LEU HD23 1 1
1 130 1 1 8 LEU HG H -5.034 -4.406 0.903 1.00 . A A . 8 LEU HG 1 1
1 131 1 1 8 LEU N N -4.481 -1.688 1.128 1.00 . A A . 8 LEU N 1 1
1 132 1 1 8 LEU O O -1.363 -1.702 -0.828 1.00 . A A . 8 LEU O 1 1
1 133 1 1 9 ASP C C -0.696 1.196 -0.501 1.00 . A A . 9 ASP C 1 1
1 134 1 1 9 ASP CA C -2.008 1.022 -1.333 1.00 . A A . 9 ASP CA 1 1
1 135 1 1 9 ASP CB C -2.825 2.332 -1.515 1.00 . A A . 9 ASP CB 1 1
1 136 1 1 9 ASP CG C -2.133 3.405 -2.366 1.00 . A A . 9 ASP CG 1 1
1 137 1 1 9 ASP H H -3.826 0.206 -0.407 1.00 . A A . 9 ASP H 1 1
1 138 1 1 9 ASP HA H -1.752 0.639 -2.332 1.00 . A A . 9 ASP HA 1 1
1 139 1 1 9 ASP HB2 H -3.802 2.104 -1.972 1.00 . A A . 9 ASP HB2 1 1
1 140 1 1 9 ASP HB3 H -3.083 2.767 -0.530 1.00 . A A . 9 ASP HB3 1 1
1 141 1 1 9 ASP HD2 H -2.712 2.334 -3.885 1.00 . A A . 9 ASP HD2 1 1
1 142 1 1 9 ASP N N -2.864 -0.006 -0.681 1.00 . A A . 9 ASP N 1 1
1 143 1 1 9 ASP O O 0.389 0.885 -0.992 1.00 . A A . 9 ASP O 1 1
1 144 1 1 9 ASP OD1 O -1.558 4.383 -1.888 1.00 . A A . 9 ASP OD1 1 1
1 145 1 1 9 ASP OD2 O -2.227 3.144 -3.709 1.00 . A A . 9 ASP OD2 1 1
1 146 1 1 10 LYS C C 0.899 0.426 2.240 1.00 . A A . 10 LYS C 1 1
1 147 1 1 10 LYS CA C 0.280 1.764 1.724 1.00 . A A . 10 LYS CA 1 1
1 148 1 1 10 LYS CB C -0.128 2.698 2.900 1.00 . A A . 10 LYS CB 1 1
1 149 1 1 10 LYS CD C -1.536 4.637 1.830 1.00 . A A . 10 LYS CD 1 1
1 150 1 1 10 LYS CE C -1.651 6.161 1.659 1.00 . A A . 10 LYS CE 1 1
1 151 1 1 10 LYS CG C -0.263 4.211 2.592 1.00 . A A . 10 LYS CG 1 1
1 152 1 1 10 LYS H H -1.777 1.969 0.958 1.00 . A A . 10 LYS H 1 1
1 153 1 1 10 LYS HA H 1.099 2.240 1.164 1.00 . A A . 10 LYS HA 1 1
1 154 1 1 10 LYS HB2 H -1.047 2.326 3.392 1.00 . A A . 10 LYS HB2 1 1
1 155 1 1 10 LYS HB3 H 0.645 2.623 3.687 1.00 . A A . 10 LYS HB3 1 1
1 156 1 1 10 LYS HD2 H -1.544 4.166 0.831 1.00 . A A . 10 LYS HD2 1 1
1 157 1 1 10 LYS HD3 H -2.429 4.249 2.358 1.00 . A A . 10 LYS HD3 1 1
1 158 1 1 10 LYS HE2 H -1.680 6.661 2.645 1.00 . A A . 10 LYS HE2 1 1
1 159 1 1 10 LYS HE3 H -0.762 6.559 1.135 1.00 . A A . 10 LYS HE3 1 1
1 160 1 1 10 LYS HG2 H -0.241 4.751 3.557 1.00 . A A . 10 LYS HG2 1 1
1 161 1 1 10 LYS HG3 H 0.636 4.557 2.048 1.00 . A A . 10 LYS HG3 1 1
1 162 1 1 10 LYS HZ1 H -2.814 6.127 -0.046 1.00 . A A . 10 LYS HZ1 1 1
1 163 1 1 10 LYS HZ2 H -2.898 7.543 0.766 1.00 . A A . 10 LYS HZ2 1 1
1 164 1 1 10 LYS N N -0.843 1.600 0.773 1.00 . A A . 10 LYS N 1 1
1 165 1 1 10 LYS NZ N -2.859 6.526 0.898 1.00 . A A . 10 LYS NZ 1 1
1 166 1 1 10 LYS O O 2.062 0.475 2.651 1.00 . A A . 10 LYS O 1 1
1 167 1 1 11 LEU C C 1.950 -2.470 1.722 1.00 . A A . 11 LEU C 1 1
1 168 1 1 11 LEU CA C 0.798 -2.035 2.676 1.00 . A A . 11 LEU CA 1 1
1 169 1 1 11 LEU CB C -0.260 -3.154 2.895 1.00 . A A . 11 LEU CB 1 1
1 170 1 1 11 LEU CD1 C -2.411 -3.900 4.059 1.00 . A A . 11 LEU CD1 1 1
1 171 1 1 11 LEU CD2 C -0.409 -3.298 5.468 1.00 . A A . 11 LEU CD2 1 1
1 172 1 1 11 LEU CG C -1.162 -3.001 4.153 1.00 . A A . 11 LEU CG 1 1
1 173 1 1 11 LEU H H -0.750 -0.727 1.850 1.00 . A A . 11 LEU H 1 1
1 174 1 1 11 LEU HA H 1.251 -1.834 3.650 1.00 . A A . 11 LEU HA 1 1
1 175 1 1 11 LEU HB2 H -0.879 -3.230 1.982 1.00 . A A . 11 LEU HB2 1 1
1 176 1 1 11 LEU HB3 H 0.247 -4.137 2.953 1.00 . A A . 11 LEU HB3 1 1
1 177 1 1 11 LEU HD11 H -2.149 -4.973 3.993 1.00 . A A . 11 LEU HD11 1 1
1 178 1 1 11 LEU HD12 H -3.023 -3.658 3.172 1.00 . A A . 11 LEU HD12 1 1
1 179 1 1 11 LEU HD13 H -3.073 -3.775 4.937 1.00 . A A . 11 LEU HD13 1 1
1 180 1 1 11 LEU HD21 H -1.065 -3.174 6.351 1.00 . A A . 11 LEU HD21 1 1
1 181 1 1 11 LEU HD22 H -0.013 -4.330 5.497 1.00 . A A . 11 LEU HD22 1 1
1 182 1 1 11 LEU HD23 H 0.447 -2.616 5.619 1.00 . A A . 11 LEU HD23 1 1
1 183 1 1 11 LEU HG H -1.513 -1.955 4.204 1.00 . A A . 11 LEU HG 1 1
1 184 1 1 11 LEU N N 0.199 -0.744 2.236 1.00 . A A . 11 LEU N 1 1
1 185 1 1 11 LEU O O 3.076 -2.653 2.190 1.00 . A A . 11 LEU O 1 1
1 186 1 1 12 ASP C C 3.711 -1.801 -0.912 1.00 . A A . 12 ASP C 1 1
1 187 1 1 12 ASP CA C 2.701 -2.940 -0.611 1.00 . A A . 12 ASP CA 1 1
1 188 1 1 12 ASP CB C 2.014 -3.539 -1.866 1.00 . A A . 12 ASP CB 1 1
1 189 1 1 12 ASP CG C 2.967 -4.264 -2.829 1.00 . A A . 12 ASP CG 1 1
1 190 1 1 12 ASP H H 0.699 -2.448 0.170 1.00 . A A . 12 ASP H 1 1
1 191 1 1 12 ASP HA H 3.321 -3.705 -0.130 1.00 . A A . 12 ASP HA 1 1
1 192 1 1 12 ASP HB2 H 1.243 -4.272 -1.560 1.00 . A A . 12 ASP HB2 1 1
1 193 1 1 12 ASP HB3 H 1.458 -2.751 -2.410 1.00 . A A . 12 ASP HB3 1 1
1 194 1 1 12 ASP HD2 H 3.985 -3.910 -4.450 1.00 . A A . 12 ASP HD2 1 1
1 195 1 1 12 ASP N N 1.680 -2.585 0.405 1.00 . A A . 12 ASP N 1 1
1 196 1 1 12 ASP O O 4.894 -2.114 -1.078 1.00 . A A . 12 ASP O 1 1
1 197 1 1 12 ASP OD1 O 3.314 -5.436 -2.684 1.00 . A A . 12 ASP OD1 1 1
1 198 1 1 12 ASP OD2 O 3.387 -3.454 -3.853 1.00 . A A . 12 ASP OD2 1 1
1 199 1 1 13 LEU C C 5.352 0.709 -0.123 1.00 . A A . 13 LEU C 1 1
1 200 1 1 13 LEU CA C 4.232 0.618 -1.210 1.00 . A A . 13 LEU CA 1 1
1 201 1 1 13 LEU CB C 3.500 1.971 -1.387 1.00 . A A . 13 LEU CB 1 1
1 202 1 1 13 LEU CD1 C 1.869 3.415 -2.669 1.00 . A A . 13 LEU CD1 1 1
1 203 1 1 13 LEU CD2 C 3.661 2.204 -3.961 1.00 . A A . 13 LEU CD2 1 1
1 204 1 1 13 LEU CG C 2.735 2.149 -2.729 1.00 . A A . 13 LEU CG 1 1
1 205 1 1 13 LEU H H 2.281 -0.375 -0.912 1.00 . A A . 13 LEU H 1 1
1 206 1 1 13 LEU HA H 4.739 0.410 -2.155 1.00 . A A . 13 LEU HA 1 1
1 207 1 1 13 LEU HB2 H 2.813 2.118 -0.530 1.00 . A A . 13 LEU HB2 1 1
1 208 1 1 13 LEU HB3 H 4.228 2.802 -1.299 1.00 . A A . 13 LEU HB3 1 1
1 209 1 1 13 LEU HD11 H 1.259 3.526 -3.583 1.00 . A A . 13 LEU HD11 1 1
1 210 1 1 13 LEU HD12 H 2.486 4.326 -2.557 1.00 . A A . 13 LEU HD12 1 1
1 211 1 1 13 LEU HD13 H 1.169 3.380 -1.814 1.00 . A A . 13 LEU HD13 1 1
1 212 1 1 13 LEU HD21 H 4.418 3.005 -3.874 1.00 . A A . 13 LEU HD21 1 1
1 213 1 1 13 LEU HD22 H 4.202 1.252 -4.110 1.00 . A A . 13 LEU HD22 1 1
1 214 1 1 13 LEU HD23 H 3.089 2.381 -4.890 1.00 . A A . 13 LEU HD23 1 1
1 215 1 1 13 LEU HG H 2.053 1.291 -2.869 1.00 . A A . 13 LEU HG 1 1
1 216 1 1 13 LEU N N 3.290 -0.517 -0.987 1.00 . A A . 13 LEU N 1 1
1 217 1 1 13 LEU O O 6.473 1.087 -0.454 1.00 . A A . 13 LEU O 1 1
1 218 1 1 14 GLU C C 6.763 -1.021 2.460 1.00 . A A . 14 GLU C 1 1
1 219 1 1 14 GLU CA C 6.016 0.330 2.250 1.00 . A A . 14 GLU CA 1 1
1 220 1 1 14 GLU CB C 5.326 0.814 3.536 1.00 . A A . 14 GLU CB 1 1
1 221 1 1 14 GLU CD C 4.219 2.687 4.888 1.00 . A A . 14 GLU CD 1 1
1 222 1 1 14 GLU CG C 4.872 2.293 3.562 1.00 . A A . 14 GLU CG 1 1
1 223 1 1 14 GLU H H 4.061 0.263 1.348 1.00 . A A . 14 GLU H 1 1
1 224 1 1 14 GLU HA H 6.786 1.049 2.017 1.00 . A A . 14 GLU HA 1 1
1 225 1 1 14 GLU HB2 H 4.475 0.153 3.714 1.00 . A A . 14 GLU HB2 1 1
1 226 1 1 14 GLU HB3 H 6.002 0.645 4.384 1.00 . A A . 14 GLU HB3 1 1
1 227 1 1 14 GLU HE2 H 2.507 2.530 5.801 1.00 . A A . 14 GLU HE2 1 1
1 228 1 1 14 GLU HG2 H 5.740 2.953 3.376 1.00 . A A . 14 GLU HG2 1 1
1 229 1 1 14 GLU HG3 H 4.165 2.496 2.736 1.00 . A A . 14 GLU HG3 1 1
1 230 1 1 14 GLU N N 5.053 0.347 1.140 1.00 . A A . 14 GLU N 1 1
1 231 1 1 14 GLU O O 7.858 -0.975 3.028 1.00 . A A . 14 GLU O 1 1
1 232 1 1 14 GLU OE1 O 4.809 3.299 5.778 1.00 . A A . 14 GLU OE1 1 1
1 233 1 1 14 GLU OE2 O 2.912 2.280 4.967 1.00 . A A . 14 GLU OE2 1 1
1 234 1 1 15 THR C C 8.143 -3.600 1.189 1.00 . A A . 15 THR C 1 1
1 235 1 1 15 THR CA C 6.970 -3.490 2.207 1.00 . A A . 15 THR CA 1 1
1 236 1 1 15 THR CB C 6.017 -4.718 2.194 1.00 . A A . 15 THR CB 1 1
1 237 1 1 15 THR CG2 C 5.192 -4.903 3.480 1.00 . A A . 15 THR CG2 1 1
1 238 1 1 15 THR H H 5.410 -2.217 1.460 1.00 . A A . 15 THR H 1 1
1 239 1 1 15 THR HA H 7.425 -3.471 3.199 1.00 . A A . 15 THR HA 1 1
1 240 1 1 15 THR HB H 6.645 -5.606 2.092 1.00 . A A . 15 THR HB 1 1
1 241 1 1 15 THR HG1 H 4.646 -5.525 1.115 1.00 . A A . 15 THR HG1 1 1
1 242 1 1 15 THR HG21 H 4.532 -5.787 3.412 1.00 . A A . 15 THR HG21 1 1
1 243 1 1 15 THR HG22 H 5.846 -5.054 4.359 1.00 . A A . 15 THR HG22 1 1
1 244 1 1 15 THR HG23 H 4.553 -4.030 3.699 1.00 . A A . 15 THR HG23 1 1
1 245 1 1 15 THR N N 6.243 -2.208 2.054 1.00 . A A . 15 THR N 1 1
1 246 1 1 15 THR O O 9.304 -3.702 1.593 1.00 . A A . 15 THR O 1 1
1 247 1 1 15 THR OG1 O 5.146 -4.707 1.070 1.00 . A A . 15 THR OG1 1 1
1 248 1 1 16 VAL C C 9.303 -2.188 -1.733 1.00 . A A . 16 VAL C 1 1
1 249 1 1 16 VAL CA C 8.785 -3.579 -1.223 1.00 . A A . 16 VAL CA 1 1
1 250 1 1 16 VAL CB C 8.193 -4.460 -2.379 1.00 . A A . 16 VAL CB 1 1
1 251 1 1 16 VAL CG1 C 8.107 -5.965 -2.031 1.00 . A A . 16 VAL CG1 1 1
1 252 1 1 16 VAL CG2 C 6.856 -3.982 -2.996 1.00 . A A . 16 VAL CG2 1 1
1 253 1 1 16 VAL H H 6.831 -3.555 -0.331 1.00 . A A . 16 VAL H 1 1
1 254 1 1 16 VAL HA H 9.674 -4.107 -0.856 1.00 . A A . 16 VAL HA 1 1
1 255 1 1 16 VAL HB H 8.922 -4.401 -3.194 1.00 . A A . 16 VAL HB 1 1
1 256 1 1 16 VAL HG11 H 9.080 -6.357 -1.680 1.00 . A A . 16 VAL HG11 1 1
1 257 1 1 16 VAL HG12 H 7.367 -6.166 -1.234 1.00 . A A . 16 VAL HG12 1 1
1 258 1 1 16 VAL HG13 H 7.817 -6.574 -2.908 1.00 . A A . 16 VAL HG13 1 1
1 259 1 1 16 VAL HG21 H 6.012 -4.105 -2.294 1.00 . A A . 16 VAL HG21 1 1
1 260 1 1 16 VAL HG22 H 6.601 -4.550 -3.911 1.00 . A A . 16 VAL HG22 1 1
1 261 1 1 16 VAL HG23 H 6.894 -2.915 -3.283 1.00 . A A . 16 VAL HG23 1 1
1 262 1 1 16 VAL N N 7.820 -3.538 -0.112 1.00 . A A . 16 VAL N 1 1
1 263 1 1 16 VAL O O 10.180 -2.211 -2.604 1.00 . A A . 16 VAL O 1 1
1 264 1 1 17 ARG C C 9.447 1.454 -0.654 1.00 . A A . 17 ARG C 1 1
1 265 1 1 17 ARG CA C 9.349 0.295 -1.711 1.00 . A A . 17 ARG CA 1 1
1 266 1 1 17 ARG CB C 8.592 0.499 -3.065 1.00 . A A . 17 ARG CB 1 1
1 267 1 1 17 ARG CD C 8.351 2.925 -4.019 1.00 . A A . 17 ARG CD 1 1
1 268 1 1 17 ARG CG C 7.679 1.716 -3.327 1.00 . A A . 17 ARG CG 1 1
1 269 1 1 17 ARG CZ C 7.011 4.988 -3.486 1.00 . A A . 17 ARG CZ 1 1
1 270 1 1 17 ARG H H 8.003 -1.021 -0.671 1.00 . A A . 17 ARG H 1 1
1 271 1 1 17 ARG HA H 10.392 0.157 -1.990 1.00 . A A . 17 ARG HA 1 1
1 272 1 1 17 ARG HB2 H 9.373 0.444 -3.823 1.00 . A A . 17 ARG HB2 1 1
1 273 1 1 17 ARG HB3 H 7.988 -0.391 -3.336 1.00 . A A . 17 ARG HB3 1 1
1 274 1 1 17 ARG HD2 H 9.192 3.312 -3.416 1.00 . A A . 17 ARG HD2 1 1
1 275 1 1 17 ARG HD3 H 8.812 2.592 -4.967 1.00 . A A . 17 ARG HD3 1 1
1 276 1 1 17 ARG HG2 H 6.852 1.367 -3.969 1.00 . A A . 17 ARG HG2 1 1
1 277 1 1 17 ARG HG3 H 7.199 2.021 -2.382 1.00 . A A . 17 ARG HG3 1 1
1 278 1 1 17 ARG HH11 H 8.157 4.417 -1.934 1.00 . A A . 17 ARG HH11 1 1
1 279 1 1 17 ARG HH12 H 7.113 5.907 -1.698 1.00 . A A . 17 ARG HH12 1 1
1 280 1 1 17 ARG HH21 H 5.785 5.754 -4.872 1.00 . A A . 17 ARG HH21 1 1
1 281 1 1 17 ARG HH22 H 5.861 6.611 -3.251 1.00 . A A . 17 ARG HH22 1 1
1 282 1 1 17 ARG N N 8.860 -1.011 -1.216 1.00 . A A . 17 ARG N 1 1
1 283 1 1 17 ARG NE N 7.382 4.006 -4.332 1.00 . A A . 17 ARG NE 1 1
1 284 1 1 17 ARG NH1 N 7.475 5.117 -2.244 1.00 . A A . 17 ARG NH1 1 1
1 285 1 1 17 ARG NH2 N 6.130 5.874 -3.913 1.00 . A A . 17 ARG NH2 1 1
1 286 1 1 17 ARG O O 9.243 2.621 -0.996 1.00 . A A . 17 ARG O 1 1
1 287 1 1 18 LYS C C 11.228 3.161 1.453 1.00 . A A . 18 LYS C 1 1
1 288 1 1 18 LYS CA C 10.000 2.223 1.668 1.00 . A A . 18 LYS CA 1 1
1 289 1 1 18 LYS CB C 9.856 1.694 3.125 1.00 . A A . 18 LYS CB 1 1
1 290 1 1 18 LYS CD C 12.067 1.003 4.329 1.00 . A A . 18 LYS CD 1 1
1 291 1 1 18 LYS CE C 13.069 -0.127 4.636 1.00 . A A . 18 LYS CE 1 1
1 292 1 1 18 LYS CG C 10.786 0.555 3.590 1.00 . A A . 18 LYS CG 1 1
1 293 1 1 18 LYS H H 9.975 0.187 0.832 1.00 . A A . 18 LYS H 1 1
1 294 1 1 18 LYS HA H 9.120 2.851 1.563 1.00 . A A . 18 LYS HA 1 1
1 295 1 1 18 LYS HB2 H 9.907 2.539 3.838 1.00 . A A . 18 LYS HB2 1 1
1 296 1 1 18 LYS HB3 H 8.816 1.339 3.238 1.00 . A A . 18 LYS HB3 1 1
1 297 1 1 18 LYS HD2 H 12.593 1.761 3.727 1.00 . A A . 18 LYS HD2 1 1
1 298 1 1 18 LYS HD3 H 11.791 1.529 5.262 1.00 . A A . 18 LYS HD3 1 1
1 299 1 1 18 LYS HE2 H 13.317 -0.684 3.713 1.00 . A A . 18 LYS HE2 1 1
1 300 1 1 18 LYS HE3 H 14.022 0.317 4.979 1.00 . A A . 18 LYS HE3 1 1
1 301 1 1 18 LYS HG2 H 10.222 -0.115 4.270 1.00 . A A . 18 LYS HG2 1 1
1 302 1 1 18 LYS HG3 H 11.030 -0.045 2.699 1.00 . A A . 18 LYS HG3 1 1
1 303 1 1 18 LYS HZ1 H 13.318 -1.768 5.865 1.00 . A A . 18 LYS HZ1 1 1
1 304 1 1 18 LYS HZ2 H 12.443 -0.572 6.554 1.00 . A A . 18 LYS HZ2 1 1
1 305 1 1 18 LYS N N 9.835 1.174 0.615 1.00 . A A . 18 LYS N 1 1
1 306 1 1 18 LYS NZ N 12.595 -1.068 5.669 1.00 . A A . 18 LYS NZ 1 1
1 307 1 1 18 LYS O O 11.063 4.385 1.475 1.00 . A A . 18 LYS O 1 1
1 308 1 1 19 ILE C C 13.770 3.766 -0.548 1.00 . A A . 19 ILE C 1 1
1 309 1 1 19 ILE CA C 13.676 3.353 0.955 1.00 . A A . 19 ILE CA 1 1
1 310 1 1 19 ILE CB C 14.936 2.665 1.599 1.00 . A A . 19 ILE CB 1 1
1 311 1 1 19 ILE CD1 C 16.229 4.857 2.218 1.00 . A A . 19 ILE CD1 1 1
1 312 1 1 19 ILE CG1 C 16.248 3.499 1.498 1.00 . A A . 19 ILE CG1 1 1
1 313 1 1 19 ILE CG2 C 15.214 1.229 1.097 1.00 . A A . 19 ILE CG2 1 1
1 314 1 1 19 ILE H H 12.432 1.579 1.289 1.00 . A A . 19 ILE H 1 1
1 315 1 1 19 ILE HA H 13.576 4.278 1.519 1.00 . A A . 19 ILE HA 1 1
1 316 1 1 19 ILE HB H 14.718 2.562 2.680 1.00 . A A . 19 ILE HB 1 1
1 317 1 1 19 ILE HD11 H 15.493 5.551 1.772 1.00 . A A . 19 ILE HD11 1 1
1 318 1 1 19 ILE HD12 H 15.982 4.748 3.290 1.00 . A A . 19 ILE HD12 1 1
1 319 1 1 19 ILE HD13 H 17.216 5.351 2.157 1.00 . A A . 19 ILE HD13 1 1
1 320 1 1 19 ILE HG12 H 17.089 2.919 1.923 1.00 . A A . 19 ILE HG12 1 1
1 321 1 1 19 ILE HG13 H 16.518 3.658 0.437 1.00 . A A . 19 ILE HG13 1 1
1 322 1 1 19 ILE HG21 H 15.529 1.213 0.038 1.00 . A A . 19 ILE HG21 1 1
1 323 1 1 19 ILE HG22 H 14.320 0.586 1.189 1.00 . A A . 19 ILE HG22 1 1
1 324 1 1 19 ILE HG23 H 16.014 0.747 1.687 1.00 . A A . 19 ILE HG23 1 1
1 325 1 1 19 ILE N N 12.427 2.594 1.222 1.00 . A A . 19 ILE N 1 1
1 326 1 1 19 ILE O O 13.760 4.963 -0.849 1.00 . A A . 19 ILE O 1 1
1 327 1 1 20 HIS C C 12.434 3.129 -3.495 1.00 . A A . 20 HIS C 1 1
1 328 1 1 20 HIS CA C 13.877 3.018 -2.924 1.00 . A A . 20 HIS CA 1 1
1 329 1 1 20 HIS CB C 14.729 1.931 -3.600 1.00 . A A . 20 HIS CB 1 1
1 330 1 1 20 HIS CD2 C 14.769 1.441 -6.160 1.00 . A A . 20 HIS CD2 1 1
1 331 1 1 20 HIS CE1 C 15.717 3.203 -6.808 1.00 . A A . 20 HIS CE1 1 1
1 332 1 1 20 HIS CG C 15.068 2.254 -5.052 1.00 . A A . 20 HIS CG 1 1
1 333 1 1 20 HIS H H 13.936 1.854 -1.070 1.00 . A A . 20 HIS H 1 1
1 334 1 1 20 HIS HA H 14.451 3.922 -3.101 1.00 . A A . 20 HIS HA 1 1
1 335 1 1 20 HIS HB2 H 15.679 1.779 -3.052 1.00 . A A . 20 HIS HB2 1 1
1 336 1 1 20 HIS HB3 H 14.190 0.982 -3.523 1.00 . A A . 20 HIS HB3 1 1
1 337 1 1 20 HIS HD2 H 14.271 0.483 -6.116 1.00 . A A . 20 HIS HD2 1 1
1 338 1 1 20 HIS HE1 H 16.149 3.940 -7.469 1.00 . A A . 20 HIS HE1 1 1
1 339 1 1 20 HIS HE2 H 15.121 1.733 -8.299 1.00 . A A . 20 HIS HE2 1 1
1 340 1 1 20 HIS N N 13.828 2.785 -1.467 1.00 . A A . 20 HIS N 1 1
1 341 1 1 20 HIS ND1 N 15.695 3.428 -5.453 1.00 . A A . 20 HIS ND1 1 1
1 342 1 1 20 HIS NE2 N 15.191 2.049 -7.325 1.00 . A A . 20 HIS NE2 1 1
1 343 1 1 20 HIS O O 11.654 2.175 -3.482 1.00 . A A . 20 HIS O 1 1
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