NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
585320 |
2mty   |
25191 | cing | 4-filtered-FRED | STAR | entry | full | 186 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2mty
# This FRED archive file contains, for PDB entry <2mty>:
#
# - 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_2mty
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 2mty
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 2312.56
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 VIKHNRFLSEYQSNFLGGGY
_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 VAL . 1 1
2 ILE . 1 1
3 LYS . 1 1
4 HIS . 1 1
5 ASN . 1 1
6 ARG . 1 1
7 PHE . 1 1
8 LEU . 1 1
9 SER . 1 1
10 GLU . 1 1
11 TYR . 1 1
12 GLN . 1 1
13 SER . 1 1
14 ASN . 1 1
15 PHE . 1 1
16 LEU . 1 1
17 GLY . 1 1
18 GLY . 1 1
19 GLY . 1 1
20 TYR . 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
VAL 1 1 1 1
ILE 2 2 1 1
LYS 3 3 1 1
HIS 4 4 1 1
ASN 5 5 1 1
ARG 6 6 1 1
PHE 7 7 1 1
LEU 8 8 1 1
SER 9 9 1 1
GLU 10 10 1 1
TYR 11 11 1 1
GLN 12 12 1 1
SER 13 13 1 1
ASN 14 14 1 1
PHE 15 15 1 1
LEU 16 16 1 1
GLY 17 17 1 1
GLY 18 18 1 1
GLY 19 19 1 1
TYR 20 20 1 1
stop_
save_
save_Discover_distance_constraints_5_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 2 ILE H 1 2 ILE HN 1 1
1 1 2 1 1 2 ILE HA 1 2 ILE HA 1 1
2 1 1 1 1 3 LYS H 1 3 LYS HN 1 1
2 1 2 1 1 3 LYS HA 1 3 LYS HA 1 1
3 1 1 1 1 4 HIS H 1 4 HIS HN 1 1
3 1 2 1 1 4 HIS HA 1 4 HIS HA 1 1
4 1 1 1 1 5 ASN H 1 5 ASN HN 1 1
4 1 2 1 1 5 ASN HA 1 5 ASN HA 1 1
5 1 1 1 1 6 ARG H 1 6 ARG HN 1 1
5 1 2 1 1 6 ARG HA 1 6 ARG HA 1 1
6 1 1 1 1 7 PHE H 1 7 PHE HN 1 1
6 1 2 1 1 7 PHE HA 1 7 PHE HA 1 1
7 1 1 1 1 8 LEU H 1 8 LEU HN 1 1
7 1 2 1 1 8 LEU HA 1 8 LEU HA 1 1
8 1 1 1 1 9 SER H 1 9 SER HN 1 1
8 1 2 1 1 9 SER HA 1 9 SER HA 1 1
9 1 1 1 1 10 GLU H 1 10 GLU HN 1 1
9 1 2 1 1 10 GLU HA 1 10 GLU HA 1 1
10 1 1 1 1 11 TYR H 1 11 TYR HN 1 1
10 1 2 1 1 11 TYR HA 1 11 TYR HA 1 1
11 1 1 1 1 12 GLN H 1 12 GLN HN 1 1
11 1 2 1 1 12 GLN HA 1 12 GLN HA 1 1
12 1 1 1 1 13 SER H 1 13 SER HN 1 1
12 1 2 1 1 13 SER HA 1 13 SER HA 1 1
13 1 1 1 1 14 ASN H 1 14 ASN HN 1 1
13 1 2 1 1 14 ASN HA 1 14 ASN HA 1 1
14 1 1 1 1 15 PHE H 1 15 PHE HN 1 1
14 1 2 1 1 15 PHE HA 1 15 PHE HA 1 1
15 1 1 1 1 16 LEU H 1 16 LEU HN 1 1
15 1 2 1 1 16 LEU HA 1 16 LEU HA 1 1
16 1 1 1 1 20 TYR H 1 20 TYR HN 1 1
16 1 2 1 1 20 TYR HA 1 20 TYR HA 1 1
17 1 1 1 1 1 VAL HA 1 1 VALn HA 1 1
17 1 2 1 1 2 ILE H 1 2 ILE HN 1 1
18 1 1 1 1 2 ILE HA 1 2 ILE HA 1 1
18 1 2 1 1 3 LYS H 1 3 LYS HN 1 1
19 1 1 1 1 3 LYS HA 1 3 LYS HA 1 1
19 1 2 1 1 4 HIS H 1 4 HIS HN 1 1
20 1 1 1 1 4 HIS HA 1 4 HIS HA 1 1
20 1 2 1 1 5 ASN H 1 5 ASN HN 1 1
21 1 1 1 1 5 ASN HA 1 5 ASN HA 1 1
21 1 2 1 1 6 ARG H 1 6 ARG HN 1 1
22 1 1 1 1 6 ARG HA 1 6 ARG HA 1 1
22 1 2 1 1 7 PHE H 1 7 PHE HN 1 1
23 1 1 1 1 7 PHE HA 1 7 PHE HA 1 1
23 1 2 1 1 8 LEU H 1 8 LEU HN 1 1
24 1 1 1 1 8 LEU HA 1 8 LEU HA 1 1
24 1 2 1 1 9 SER H 1 9 SER HN 1 1
25 1 1 1 1 9 SER HA 1 9 SER HA 1 1
25 1 2 1 1 10 GLU H 1 10 GLU HN 1 1
26 1 1 1 1 10 GLU HA 1 10 GLU HA 1 1
26 1 2 1 1 11 TYR H 1 11 TYR HN 1 1
27 1 1 1 1 11 TYR HA 1 11 TYR HA 1 1
27 1 2 1 1 12 GLN H 1 12 GLN HN 1 1
28 1 1 1 1 12 GLN HA 1 12 GLN HA 1 1
28 1 2 1 1 13 SER H 1 13 SER HN 1 1
29 1 1 1 1 13 SER HA 1 13 SER HA 1 1
29 1 2 1 1 14 ASN H 1 14 ASN HN 1 1
30 1 1 1 1 14 ASN HA 1 14 ASN HA 1 1
30 1 2 1 1 15 PHE H 1 15 PHE HN 1 1
31 1 1 1 1 15 PHE HA 1 15 PHE HA 1 1
31 1 2 1 1 16 LEU H 1 16 LEU HN 1 1
32 1 1 1 1 16 LEU HA 1 16 LEU HA 1 1
32 1 2 1 1 17 GLY H 1 17 GLY HN 1 1
33 1 1 1 1 17 GLY QA 1 17 GLY HA* 1 1
33 1 2 1 1 18 GLY H 1 18 GLY HN 1 1
34 1 1 1 1 18 GLY QA 1 18 GLY HA* 1 1
34 1 2 1 1 19 GLY H 1 19 GLY HN 1 1
35 1 1 1 1 19 GLY QA 1 19 GLY HA* 1 1
35 1 2 1 1 20 TYR H 1 20 TYR HN 1 1
36 1 1 1 1 1 VAL HA 1 1 VALn HA 1 1
36 1 2 1 1 1 VAL HB 1 1 VALn HB 1 1
37 1 1 1 1 1 VAL HA 1 1 VALn HA 1 1
37 1 2 1 1 1 VAL MG1 1 1 VALn HGR* 1 1
38 1 1 1 1 1 VAL HA 1 1 VALn HA 1 1
38 1 2 1 1 1 VAL MG2 1 1 VALn HGS* 1 1
39 1 1 1 1 1 VAL MG1 1 1 VALn HGR* 1 1
39 1 2 1 1 1 VAL MG2 1 1 VALn HGS* 1 1
40 1 1 1 1 2 ILE H 1 2 ILE HN 1 1
40 1 2 1 1 2 ILE HB 1 2 ILE HB 1 1
41 1 1 1 1 2 ILE H 1 2 ILE HN 1 1
41 1 2 1 1 2 ILE HG12 1 2 ILE HG1R 1 1
42 1 1 1 1 2 ILE H 1 2 ILE HN 1 1
42 1 2 1 1 2 ILE HG13 1 2 ILE HG1S 1 1
43 1 1 1 1 2 ILE H 1 2 ILE HN 1 1
43 1 2 1 1 2 ILE MD 1 2 ILE HD1* 1 1
44 1 1 1 1 2 ILE HA 1 2 ILE HA 1 1
44 1 2 1 1 2 ILE HB 1 2 ILE HB 1 1
45 1 1 1 1 2 ILE HA 1 2 ILE HA 1 1
45 1 2 1 1 2 ILE HG12 1 2 ILE HG1R 1 1
46 1 1 1 1 2 ILE HA 1 2 ILE HA 1 1
46 1 2 1 1 2 ILE HG13 1 2 ILE HG1S 1 1
47 1 1 1 1 2 ILE HA 1 2 ILE HA 1 1
47 1 2 1 1 2 ILE MD 1 2 ILE HD1* 1 1
48 1 1 1 1 2 ILE HB 1 2 ILE HB 1 1
48 1 2 1 1 2 ILE HG12 1 2 ILE HG1R 1 1
49 1 1 1 1 2 ILE HB 1 2 ILE HB 1 1
49 1 2 1 1 2 ILE HG13 1 2 ILE HG1S 1 1
50 1 1 1 1 2 ILE HB 1 2 ILE HB 1 1
50 1 2 1 1 2 ILE MD 1 2 ILE HD1* 1 1
51 1 1 1 1 3 LYS HA 1 3 LYS HA 1 1
51 1 2 1 1 3 LYS HB2 1 3 LYS HBR 1 1
52 1 1 1 1 3 LYS HA 1 3 LYS HA 1 1
52 1 2 1 1 3 LYS HB3 1 3 LYS HBS 1 1
53 1 1 1 1 3 LYS HA 1 3 LYS HA 1 1
53 1 2 1 1 3 LYS QD 1 3 LYS HD* 1 1
54 1 1 1 1 3 LYS HA 1 3 LYS HA 1 1
54 1 2 1 1 3 LYS HG2 1 3 LYS HGR 1 1
55 1 1 1 1 3 LYS HA 1 3 LYS HA 1 1
55 1 2 1 1 3 LYS HG3 1 3 LYS HGS 1 1
56 1 1 1 1 3 LYS HB2 1 3 LYS HBR 1 1
56 1 2 1 1 3 LYS QD 1 3 LYS HD* 1 1
57 1 1 1 1 3 LYS HB2 1 3 LYS HBR 1 1
57 1 2 1 1 3 LYS HG2 1 3 LYS HGR 1 1
58 1 1 1 1 3 LYS HB2 1 3 LYS HBR 1 1
58 1 2 1 1 3 LYS HG3 1 3 LYS HGS 1 1
59 1 1 1 1 4 HIS H 1 4 HIS HN 1 1
59 1 2 1 1 4 HIS HB2 1 4 HIS HBS 1 1
60 1 1 1 1 4 HIS H 1 4 HIS HN 1 1
60 1 2 1 1 4 HIS HB3 1 4 HIS HBR 1 1
61 1 1 1 1 4 HIS H 1 4 HIS HN 1 1
61 1 2 1 1 4 HIS HD2 1 4 HIS HD2 1 1
62 1 1 1 1 4 HIS HA 1 4 HIS HA 1 1
62 1 2 1 1 4 HIS HB2 1 4 HIS HBS 1 1
63 1 1 1 1 4 HIS HA 1 4 HIS HA 1 1
63 1 2 1 1 4 HIS HB3 1 4 HIS HBR 1 1
64 1 1 1 1 4 HIS HA 1 4 HIS HA 1 1
64 1 2 1 1 4 HIS HD2 1 4 HIS HD2 1 1
65 1 1 1 1 5 ASN HA 1 5 ASN HA 1 1
65 1 2 1 1 5 ASN HD21 1 5 ASN HD21 1 1
66 1 1 1 1 5 ASN HA 1 5 ASN HA 1 1
66 1 2 1 1 5 ASN HD22 1 5 ASN HD22 1 1
67 1 1 1 1 5 ASN QB 1 5 ASN HB* 1 1
67 1 2 1 1 5 ASN HD21 1 5 ASN HD21 1 1
68 1 1 1 1 5 ASN QB 1 5 ASN HB* 1 1
68 1 2 1 1 5 ASN HD22 1 5 ASN HD22 1 1
69 1 1 1 1 6 ARG H 1 6 ARG HN 1 1
69 1 2 1 1 6 ARG QB 1 6 ARG HB* 1 1
70 1 1 1 1 6 ARG H 1 6 ARG HN 1 1
70 1 2 1 1 6 ARG QG 1 6 ARG HG* 1 1
71 1 1 1 1 6 ARG H 1 6 ARG HN 1 1
71 1 2 1 1 6 ARG QD 1 6 ARG HD* 1 1
72 1 1 1 1 6 ARG HA 1 6 ARG HA 1 1
72 1 2 1 1 6 ARG QD 1 6 ARG HD* 1 1
73 1 1 1 1 6 ARG HA 1 6 ARG HA 1 1
73 1 2 1 1 6 ARG QG 1 6 ARG HG* 1 1
74 1 1 1 1 6 ARG QB 1 6 ARG HB* 1 1
74 1 2 1 1 6 ARG QD 1 6 ARG HD* 1 1
75 1 1 1 1 6 ARG QG 1 6 ARG HG* 1 1
75 1 2 1 1 6 ARG QH 1 6 ARG HH* 1 1
76 1 1 1 1 6 ARG QD 1 6 ARG HD* 1 1
76 1 2 1 1 6 ARG QH 1 6 ARG HH* 1 1
77 1 1 1 1 7 PHE H 1 7 PHE HN 1 1
77 1 2 1 1 7 PHE HB2 1 7 PHE HBR 1 1
78 1 1 1 1 7 PHE H 1 7 PHE HN 1 1
78 1 2 1 1 7 PHE HB3 1 7 PHE HBS 1 1
79 1 1 1 1 7 PHE HA 1 7 PHE HA 1 1
79 1 2 1 1 7 PHE HB2 1 7 PHE HBR 1 1
80 1 1 1 1 7 PHE HA 1 7 PHE HA 1 1
80 1 2 1 1 7 PHE HB3 1 7 PHE HBS 1 1
81 1 1 1 1 7 PHE HB2 1 7 PHE HBR 1 1
81 1 2 1 1 7 PHE QE 1 7 PHE HE* 1 1
82 1 1 1 1 7 PHE HB3 1 7 PHE HBS 1 1
82 1 2 1 1 7 PHE QE 1 7 PHE HE* 1 1
83 1 1 1 1 8 LEU H 1 8 LEU HN 1 1
83 1 2 1 1 8 LEU QB 1 8 LEU HB* 1 1
84 1 1 1 1 8 LEU H 1 8 LEU HN 1 1
84 1 2 1 1 8 LEU HG 1 8 LEU HG 1 1
85 1 1 1 1 8 LEU H 1 8 LEU HN 1 1
85 1 2 1 1 8 LEU QD 1 8 LEU HDR* 1 1
86 1 1 1 1 8 LEU HA 1 8 LEU HA 1 1
86 1 2 1 1 8 LEU HG 1 8 LEU HG 1 1
87 1 1 1 1 8 LEU HA 1 8 LEU HA 1 1
87 1 2 1 1 8 LEU QD 1 8 LEU HDR* 1 1
88 1 1 1 1 8 LEU MD1 1 8 LEU HDR* 1 1
88 1 2 1 1 8 LEU MD2 1 8 LEU HDS* 1 1
89 1 1 1 1 9 SER HA 1 9 SER HA 1 1
89 1 2 1 1 9 SER HB2 1 9 SER HBS 1 1
90 1 1 1 1 9 SER HA 1 9 SER HA 1 1
90 1 2 1 1 9 SER HB3 1 9 SER HBR 1 1
91 1 1 1 1 9 SER H 1 9 SER HN 1 1
91 1 2 1 1 9 SER HB2 1 9 SER HBS 1 1
92 1 1 1 1 9 SER H 1 9 SER HN 1 1
92 1 2 1 1 9 SER HB3 1 9 SER HBR 1 1
93 1 1 1 1 10 GLU H 1 10 GLU HN 1 1
93 1 2 1 1 10 GLU QG 1 10 GLU HG* 1 1
94 1 1 1 1 10 GLU H 1 10 GLU HN 1 1
94 1 2 1 1 10 GLU HB2 1 10 GLU HBR 1 1
95 1 1 1 1 10 GLU H 1 10 GLU HN 1 1
95 1 2 1 1 10 GLU HB3 1 10 GLU HBS 1 1
96 1 1 1 1 10 GLU HA 1 10 GLU HA 1 1
96 1 2 1 1 10 GLU HB2 1 10 GLU HBR 1 1
97 1 1 1 1 10 GLU HA 1 10 GLU HA 1 1
97 1 2 1 1 10 GLU HB3 1 10 GLU HBS 1 1
98 1 1 1 1 10 GLU HA 1 10 GLU HA 1 1
98 1 2 1 1 10 GLU QG 1 10 GLU HG* 1 1
99 1 1 1 1 11 TYR HA 1 11 TYR HA 1 1
99 1 2 1 1 11 TYR QD 1 11 TYR HD* 1 1
100 1 1 1 1 11 TYR HA 1 11 TYR HA 1 1
100 1 2 1 1 11 TYR QE 1 11 TYR HE* 1 1
101 1 1 1 1 12 GLN H 1 12 GLN HN 1 1
101 1 2 1 1 12 GLN QB 1 12 GLN HBR 1 1
102 1 1 1 1 12 GLN H 1 12 GLN HN 1 1
102 1 2 1 1 12 GLN QG 1 12 GLN HG* 1 1
103 1 1 1 1 12 GLN HA 1 12 GLN HA 1 1
103 1 2 1 1 12 GLN QB 1 12 GLN HBR 1 1
104 1 1 1 1 12 GLN HA 1 12 GLN HA 1 1
104 1 2 1 1 12 GLN QG 1 12 GLN HG* 1 1
105 1 1 1 1 13 SER H 1 13 SER HN 1 1
105 1 2 1 1 13 SER HB2 1 13 SER HBS 1 1
106 1 1 1 1 13 SER H 1 13 SER HN 1 1
106 1 2 1 1 13 SER HB3 1 13 SER HBR 1 1
107 1 1 1 1 13 SER HA 1 13 SER HA 1 1
107 1 2 1 1 13 SER HB2 1 13 SER HBS 1 1
108 1 1 1 1 13 SER HA 1 13 SER HA 1 1
108 1 2 1 1 13 SER HB3 1 13 SER HBR 1 1
109 1 1 1 1 14 ASN HA 1 14 ASN HA 1 1
109 1 2 1 1 14 ASN HD22 1 14 ASN HD21 1 1
110 1 1 1 1 14 ASN HA 1 14 ASN HA 1 1
110 1 2 1 1 14 ASN HD21 1 14 ASN HD22 1 1
111 1 1 1 1 14 ASN QB 1 14 ASN HB* 1 1
111 1 2 1 1 14 ASN HD22 1 14 ASN HD21 1 1
112 1 1 1 1 14 ASN QB 1 14 ASN HB* 1 1
112 1 2 1 1 14 ASN HD21 1 14 ASN HD22 1 1
113 1 1 1 1 15 PHE H 1 15 PHE HN 1 1
113 1 2 1 1 15 PHE HB2 1 15 PHE HBR 1 1
114 1 1 1 1 15 PHE H 1 15 PHE HN 1 1
114 1 2 1 1 15 PHE HB3 1 15 PHE HBS 1 1
115 1 1 1 1 15 PHE HA 1 15 PHE HA 1 1
115 1 2 1 1 15 PHE HB2 1 15 PHE HBR 1 1
116 1 1 1 1 15 PHE HA 1 15 PHE HA 1 1
116 1 2 1 1 15 PHE HB3 1 15 PHE HBS 1 1
117 1 1 1 1 16 LEU H 1 16 LEU HN 1 1
117 1 2 1 1 16 LEU QB 1 16 LEU HB* 1 1
118 1 1 1 1 16 LEU H 1 16 LEU HN 1 1
118 1 2 1 1 16 LEU HG 1 16 LEU HG 1 1
119 1 1 1 1 16 LEU H 1 16 LEU HN 1 1
119 1 2 1 1 16 LEU QD 1 16 LEU HDR* 1 1
120 1 1 1 1 16 LEU HA 1 16 LEU HA 1 1
120 1 2 1 1 16 LEU HG 1 16 LEU HG 1 1
121 1 1 1 1 16 LEU HA 1 16 LEU HA 1 1
121 1 2 1 1 16 LEU QD 1 16 LEU HDR* 1 1
122 1 1 1 1 16 LEU MD1 1 16 LEU HDR* 1 1
122 1 2 1 1 16 LEU MD2 1 16 LEU HDS* 1 1
123 1 1 1 1 20 TYR HA 1 20 TYR HA 1 1
123 1 2 1 1 20 TYR QD 1 20 TYR HD* 1 1
124 1 1 1 1 20 TYR HA 1 20 TYR HA 1 1
124 1 2 1 1 20 TYR QE 1 20 TYR HE* 1 1
125 1 1 1 1 2 ILE H 1 2 ILE HN 1 1
125 1 2 1 1 3 LYS H 1 3 LYS HN 1 1
126 1 1 1 1 3 LYS H 1 3 LYS HN 1 1
126 1 2 1 1 4 HIS H 1 4 HIS HN 1 1
127 1 1 1 1 4 HIS H 1 4 HIS HN 1 1
127 1 2 1 1 5 ASN H 1 5 ASN HN 1 1
128 1 1 1 1 5 ASN H 1 5 ASN HN 1 1
128 1 2 1 1 6 ARG H 1 6 ARG HN 1 1
129 1 1 1 1 6 ARG H 1 6 ARG HN 1 1
129 1 2 1 1 7 PHE H 1 7 PHE HN 1 1
130 1 1 1 1 7 PHE H 1 7 PHE HN 1 1
130 1 2 1 1 8 LEU H 1 8 LEU HN 1 1
131 1 1 1 1 8 LEU H 1 8 LEU HN 1 1
131 1 2 1 1 9 SER H 1 9 SER HN 1 1
132 1 1 1 1 9 SER H 1 9 SER HN 1 1
132 1 2 1 1 10 GLU H 1 10 GLU HN 1 1
133 1 1 1 1 10 GLU H 1 10 GLU HN 1 1
133 1 2 1 1 11 TYR H 1 11 TYR HN 1 1
134 1 1 1 1 11 TYR H 1 11 TYR HN 1 1
134 1 2 1 1 12 GLN H 1 12 GLN HN 1 1
135 1 1 1 1 12 GLN H 1 12 GLN HN 1 1
135 1 2 1 1 13 SER H 1 13 SER HN 1 1
136 1 1 1 1 13 SER H 1 13 SER HN 1 1
136 1 2 1 1 14 ASN H 1 14 ASN HN 1 1
137 1 1 1 1 14 ASN H 1 14 ASN HN 1 1
137 1 2 1 1 15 PHE H 1 15 PHE HN 1 1
138 1 1 1 1 15 PHE H 1 15 PHE HN 1 1
138 1 2 1 1 16 LEU H 1 16 LEU HN 1 1
139 1 1 1 1 16 LEU H 1 16 LEU HN 1 1
139 1 2 1 1 17 GLY H 1 17 GLY HN 1 1
140 1 1 1 1 17 GLY H 1 17 GLY HN 1 1
140 1 2 1 1 18 GLY H 1 18 GLY HN 1 1
141 1 1 1 1 18 GLY H 1 18 GLY HN 1 1
141 1 2 1 1 19 GLY H 1 19 GLY HN 1 1
142 1 1 1 1 19 GLY H 1 19 GLY HN 1 1
142 1 2 1 1 20 TYR H 1 20 TYR HN 1 1
143 1 1 1 1 2 ILE HB 1 2 ILE HB 1 1
143 1 2 1 1 3 LYS H 1 3 LYS HN 1 1
144 1 1 1 1 5 ASN QB 1 5 ASN HB* 1 1
144 1 2 1 1 6 ARG H 1 6 ARG HN 1 1
145 1 1 1 1 15 PHE HB2 1 15 PHE HBR 1 1
145 1 2 1 1 16 LEU H 1 16 LEU HN 1 1
146 1 1 1 1 15 PHE HB3 1 15 PHE HBS 1 1
146 1 2 1 1 16 LEU H 1 16 LEU HN 1 1
147 1 1 1 1 16 LEU QB 1 16 LEU HB* 1 1
147 1 2 1 1 17 GLY H 1 17 GLY HN 1 1
148 1 1 1 1 6 ARG QB 1 6 ARG HB* 1 1
148 1 2 1 1 7 PHE H 1 7 PHE HN 1 1
149 1 1 1 1 12 GLN QB 1 12 GLN HBR 1 1
149 1 2 1 1 13 SER H 1 13 SER HN 1 1
150 1 1 1 1 4 HIS HB2 1 4 HIS HBS 1 1
150 1 2 1 1 5 ASN H 1 5 ASN HN 1 1
151 1 1 1 1 4 HIS HB3 1 4 HIS HBR 1 1
151 1 2 1 1 5 ASN H 1 5 ASN HN 1 1
152 1 1 1 1 2 ILE HA 1 2 ILE HA 1 1
152 1 2 1 1 5 ASN H 1 5 ASN HN 1 1
153 1 1 1 1 9 SER HA 1 9 SER HA 1 1
153 1 2 1 1 12 GLN H 1 12 GLN HN 1 1
154 1 1 1 1 10 GLU HA 1 10 GLU HA 1 1
154 1 2 1 1 13 SER H 1 13 SER HN 1 1
155 1 1 1 1 11 TYR HA 1 11 TYR HA 1 1
155 1 2 1 1 14 ASN H 1 14 ASN HN 1 1
156 1 1 1 1 12 GLN HA 1 12 GLN HA 1 1
156 1 2 1 1 15 PHE H 1 15 PHE HN 1 1
157 1 1 1 1 13 SER HA 1 13 SER HA 1 1
157 1 2 1 1 16 LEU H 1 16 LEU HN 1 1
158 1 1 1 1 14 ASN HA 1 14 ASN HA 1 1
158 1 2 1 1 17 GLY H 1 17 GLY HN 1 1
159 1 1 1 1 9 SER HA 1 9 SER HA 1 1
159 1 2 1 1 12 GLN QB 1 12 GLN HBR 1 1
160 1 1 1 1 7 PHE HA 1 7 PHE HA 1 1
160 1 2 1 1 9 SER H 1 9 SER HN 1 1
161 1 1 1 1 9 SER HA 1 9 SER HA 1 1
161 1 2 1 1 11 TYR H 1 11 TYR HN 1 1
162 1 1 1 1 10 GLU HA 1 10 GLU HA 1 1
162 1 2 1 1 12 GLN H 1 12 GLN HN 1 1
163 1 1 1 1 13 SER HA 1 13 SER HA 1 1
163 1 2 1 1 15 PHE H 1 15 PHE HN 1 1
164 1 1 1 1 9 SER HB2 1 9 SER HBS 1 1
164 1 2 1 1 12 GLN HA 1 12 GLN HA 1 1
165 1 1 1 1 9 SER HB3 1 9 SER HBR 1 1
165 1 2 1 1 12 GLN HA 1 12 GLN HA 1 1
166 1 1 1 1 8 LEU QB 1 8 LEU HB* 1 1
166 1 2 1 1 11 TYR HA 1 11 TYR HA 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 . . . . . 2.8 1.8 2.8 1 1
2 1 . . . . . 2.8 1.8 2.8 1 1
3 1 . . . . . 2.8 1.8 2.8 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 . . . . . 2.8 1.8 2.8 1 1
8 1 . . . . . 2.8 1.8 2.8 1 1
9 1 . . . . . 2.8 1.8 2.8 1 1
10 1 . . . . . 2.8 1.8 2.8 1 1
11 1 . . . . . 2.8 1.8 2.8 1 1
12 1 . . . . . 2.8 1.8 2.8 1 1
13 1 . . . . . 2.8 1.8 2.8 1 1
14 1 . . . . . 2.8 1.8 2.8 1 1
15 1 . . . . . 2.8 1.8 2.8 1 1
16 1 . . . . . 2.8 1.8 2.8 1 1
17 1 . . . . . 2.8 1.8 2.8 1 1
18 1 . . . . . 3.5 2.8 3.5 1 1
19 1 . . . . . 3.5 2.8 3.5 1 1
20 1 . . . . . 3.5 2.8 3.5 1 1
21 1 . . . . . 2.8 1.8 2.8 1 1
22 1 . . . . . 2.8 1.8 2.8 1 1
23 1 . . . . . 3.5 2.8 3.5 1 1
24 1 . . . . . 3.5 2.8 3.5 1 1
25 1 . . . . . 3.5 2.8 3.5 1 1
26 1 . . . . . 2.8 1.8 2.8 1 1
27 1 . . . . . 2.8 1.8 2.8 1 1
28 1 . . . . . 3.5 2.8 3.5 1 1
29 1 . . . . . 3.5 2.8 3.5 1 1
30 1 . . . . . 3.5 2.8 3.5 1 1
31 1 . . . . . 2.8 1.8 2.8 1 1
32 1 . . . . . 2.8 1.8 2.8 1 1
33 1 . . . . . 2.8 1.8 3.8 1 1
34 1 . . . . . 2.8 1.8 3.8 1 1
35 1 . . . . . 2.8 1.8 3.8 1 1
36 1 . . . . . 2.8 1.8 2.8 1 1
37 1 . . . . . 2.8 1.8 3.8 1 1
38 1 . . . . . 2.8 1.8 3.8 1 1
39 1 . . . . . 2.8 1.8 4.8 1 1
40 1 . . . . . 2.8 1.8 2.8 1 1
41 1 . . . . . 2.8 1.8 2.8 1 1
42 1 . . . . . 2.8 1.8 2.8 1 1
43 1 . . . . . 3.5 2.8 4.5 1 1
44 1 . . . . . 2.8 1.8 2.8 1 1
45 1 . . . . . 2.8 1.8 2.8 1 1
46 1 . . . . . 2.8 1.8 2.8 1 1
47 1 . . . . . 3.5 2.8 4.5 1 1
48 1 . . . . . 2.8 1.8 2.8 1 1
49 1 . . . . . 2.8 1.8 2.8 1 1
50 1 . . . . . 2.8 1.8 3.8 1 1
51 1 . . . . . 2.8 1.8 2.8 1 1
52 1 . . . . . 2.8 1.8 2.8 1 1
53 1 . . . . . 2.8 1.8 3.8 1 1
54 1 . . . . . 2.8 1.8 2.8 1 1
55 1 . . . . . 2.8 1.8 2.8 1 1
56 1 . . . . . 2.8 1.8 3.8 1 1
57 1 . . . . . 2.8 1.8 2.8 1 1
58 1 . . . . . 2.8 1.8 2.8 1 1
59 1 . . . . . 2.8 1.8 2.8 1 1
60 1 . . . . . 3.5 2.8 3.5 1 1
61 1 . . . . . 2.8 1.8 3.8 1 1
62 1 . . . . . 2.8 1.8 2.8 1 1
63 1 . . . . . 2.8 1.8 2.8 1 1
64 1 . . . . . 2.8 1.8 3.8 1 1
65 1 . . . . . 3.5 2.8 3.5 1 1
66 1 . . . . . 5.0 3.5 5.0 1 1
67 1 . . . . . 3.5 2.8 4.5 1 1
68 1 . . . . . 2.8 1.8 3.8 1 1
69 1 . . . . . 3.5 2.8 4.5 1 1
70 1 . . . . . 2.8 1.8 3.8 1 1
71 1 . . . . . 2.8 1.8 3.8 1 1
72 1 . . . . . 3.5 2.8 4.5 1 1
73 1 . . . . . 3.5 2.8 4.5 1 1
74 1 . . . . . 3.5 2.8 5.5 1 1
75 1 . . . . . 2.8 1.8 6.2 1 1
76 1 . . . . . 2.8 1.8 6.2 1 1
77 1 . . . . . 2.8 1.8 2.8 1 1
78 1 . . . . . 2.8 1.8 2.8 1 1
79 1 . . . . . 2.8 1.8 2.8 1 1
80 1 . . . . . 2.8 1.8 2.8 1 1
81 1 . . . . . 2.8 1.8 4.8 1 1
82 1 . . . . . 2.8 1.8 4.8 1 1
83 1 . . . . . 2.8 1.8 3.8 1 1
84 1 . . . . . 3.5 2.8 3.5 1 1
85 1 . . . . . 3.5 2.8 4.5 1 1
86 1 . . . . . 3.5 2.8 3.5 1 1
87 1 . . . . . 3.5 2.8 4.5 1 1
88 1 . . . . . 2.8 1.8 4.8 1 1
89 1 . . . . . 2.8 1.8 2.8 1 1
90 1 . . . . . 2.8 1.8 2.8 1 1
91 1 . . . . . 2.8 1.8 2.8 1 1
92 1 . . . . . 2.8 2.8 3.8 1 1
93 1 . . . . . 2.8 2.8 3.8 1 1
94 1 . . . . . 2.8 2.8 3.5 1 1
95 1 . . . . . 2.8 2.8 3.5 1 1
96 1 . . . . . 2.8 2.8 3.5 1 1
97 1 . . . . . 2.8 2.8 3.5 1 1
98 1 . . . . . 3.5 3.5 4.5 1 1
99 1 . . . . . 2.8 1.8 4.8 1 1
100 1 . . . . . 3.5 2.8 5.5 1 1
101 1 . . . . . 2.8 2.8 2.8 1 1
102 1 . . . . . 3.5 2.8 4.5 1 1
103 1 . . . . . 2.8 1.8 2.8 1 1
104 1 . . . . . 2.8 1.8 3.8 1 1
105 1 . . . . . 2.8 1.8 2.8 1 1
106 1 . . . . . 3.5 2.8 4.5 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 . . . . . 5.0 3.5 5.0 1 1
111 1 . . . . . 3.5 2.8 4.5 1 1
112 1 . . . . . 2.8 1.8 3.8 1 1
113 1 . . . . . 2.8 1.8 2.8 1 1
114 1 . . . . . 3.5 2.8 4.5 1 1
115 1 . . . . . 2.8 1.8 2.8 1 1
116 1 . . . . . 2.8 1.8 2.8 1 1
117 1 . . . . . 2.8 1.8 3.8 1 1
118 1 . . . . . 3.5 2.8 3.5 1 1
119 1 . . . . . 3.5 2.8 4.5 1 1
120 1 . . . . . 3.5 2.8 3.5 1 1
121 1 . . . . . 3.5 2.8 4.5 1 1
122 1 . . . . . 2.8 1.8 4.8 1 1
123 1 . . . . . 2.8 1.8 4.8 1 1
124 1 . . . . . 3.5 2.8 5.5 1 1
125 1 . . . . . 2.8 1.8 2.8 1 1
126 1 . . . . . 2.8 1.8 2.8 1 1
127 1 . . . . . 2.8 1.8 2.8 1 1
128 1 . . . . . 2.8 1.8 2.8 1 1
129 1 . . . . . 2.8 1.8 2.8 1 1
130 1 . . . . . 2.8 1.8 2.8 1 1
131 1 . . . . . 2.8 1.8 2.8 1 1
132 1 . . . . . 2.8 1.8 2.8 1 1
133 1 . . . . . 2.8 1.8 2.8 1 1
134 1 . . . . . 2.8 1.8 2.8 1 1
135 1 . . . . . 2.8 1.8 2.8 1 1
136 1 . . . . . 2.8 1.8 2.8 1 1
137 1 . . . . . 2.8 1.8 2.8 1 1
138 1 . . . . . 3.5 2.8 4.5 1 1
139 1 . . . . . 3.5 2.8 4.5 1 1
140 1 . . . . . 3.5 2.8 4.5 1 1
141 1 . . . . . 3.5 2.8 4.5 1 1
142 1 . . . . . 3.5 2.8 4.5 1 1
143 1 . . . . . 3.5 2.8 4.5 1 1
144 1 . . . . . 3.5 2.8 4.5 1 1
145 1 . . . . . 3.5 2.8 4.5 1 1
146 1 . . . . . 3.5 2.8 4.5 1 1
147 1 . . . . . 3.5 2.8 4.5 1 1
148 1 . . . . . 3.5 2.8 4.5 1 1
149 1 . . . . . 3.5 2.8 4.5 1 1
150 1 . . . . . 3.5 2.8 4.5 1 1
151 1 . . . . . 3.5 2.8 4.5 1 1
152 1 . . . . . 3.5 2.8 4.5 1 1
153 1 . . . . . 3.5 2.8 4.5 1 1
154 1 . . . . . 3.5 2.8 4.5 1 1
155 1 . . . . . 3.5 2.8 4.5 1 1
156 1 . . . . . 3.5 2.8 4.5 1 1
157 1 . . . . . 5.0 3.5 5.0 1 1
158 1 . . . . . 3.5 2.8 4.5 1 1
159 1 . . . . . 3.5 2.8 4.5 1 1
160 1 . . . . . 3.5 2.8 4.5 1 1
161 1 . . . . . 3.5 2.8 4.5 1 1
162 1 . . . . . 3.5 2.8 4.5 1 1
163 1 . . . . . 3.5 2.8 4.5 1 1
164 1 . . . . . 3.5 2.8 4.5 1 1
165 1 . . . . . 2.8 1.8 2.8 1 1
166 1 . . . . . 2.8 1.8 3.8 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 2
_Distance_constraint_list.Constraint_type "hydrogen bond"
_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 2
2 1 . . . 1 2
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 11 TYR O 1 11 TYR O 1 2
1 1 2 1 1 15 PHE H 1 15 PHE HN 1 2
2 1 1 1 1 9 SER O 1 9 SER O 1 2
2 1 2 1 1 13 SER H 1 13 SER HN 1 2
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 . . . . . . 1.8 2.5 1 2
2 1 . . . . . . 1.8 2.5 1 2
stop_
save_
save_Discover_dihedral_6
_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 2 ILE CA 1 1 2 ILE C 1 1 3 LYS N 1 1 3 LYS CA 178.0 179.99998 1 2 ILE CA 1 2 ILE C 1 3 LYS N 1 3 LYS CA 1 1
2 . 1 1 3 LYS CA 1 1 3 LYS C 1 1 4 HIS N 1 1 4 HIS CA 178.0 179.99998 1 3 LYS CA 1 3 LYS C 1 4 HIS N 1 4 HIS CA 1 1
3 . 1 1 4 HIS CA 1 1 4 HIS C 1 1 5 ASN N 1 1 5 ASN CA 178.0 179.99998 1 4 HIS CA 1 4 HIS C 1 5 ASN N 1 5 ASN CA 1 1
4 . 1 1 5 ASN CA 1 1 5 ASN C 1 1 6 ARG N 1 1 6 ARG CA 178.0 179.99998 1 5 ASN CA 1 5 ASN C 1 6 ARG N 1 6 ARG CA 1 1
5 . 1 1 6 ARG CA 1 1 6 ARG C 1 1 7 PHE N 1 1 7 PHE CA 178.0 179.99998 1 6 ARG CA 1 6 ARG C 1 7 PHE N 1 7 PHE CA 1 1
6 . 1 1 7 PHE CA 1 1 7 PHE C 1 1 8 LEU N 1 1 8 LEU CA 178.0 179.99998 1 7 PHE CA 1 7 PHE C 1 8 LEU N 1 8 LEU CA 1 1
7 . 1 1 8 LEU CA 1 1 8 LEU C 1 1 9 SER N 1 1 9 SER CA 178.0 179.99998 1 8 LEU CA 1 8 LEU C 1 9 SER N 1 9 SER CA 1 1
8 . 1 1 9 SER CA 1 1 9 SER C 1 1 10 GLU N 1 1 10 GLU CA 178.0 179.99998 1 9 SER CA 1 9 SER C 1 10 GLU N 1 10 GLU CA 1 1
9 . 1 1 10 GLU CA 1 1 10 GLU C 1 1 11 TYR N 1 1 11 TYR CA 178.0 179.99998 1 10 GLU CA 1 10 GLU C 1 11 TYR N 1 11 TYR CA 1 1
10 . 1 1 11 TYR CA 1 1 11 TYR C 1 1 12 GLN N 1 1 12 GLN CA 178.0 179.99998 1 11 TYR CA 1 11 TYR C 1 12 GLN N 1 12 GLN CA 1 1
11 . 1 1 12 GLN CA 1 1 12 GLN C 1 1 13 SER N 1 1 13 SER CA 178.0 179.99998 1 12 GLN CA 1 12 GLN C 1 13 SER N 1 13 SER CA 1 1
12 . 1 1 13 SER CA 1 1 13 SER C 1 1 14 ASN N 1 1 14 ASN CA 178.0 179.99998 1 13 SER CA 1 13 SER C 1 14 ASN N 1 14 ASN CA 1 1
13 . 1 1 14 ASN CA 1 1 14 ASN C 1 1 15 PHE N 1 1 15 PHE CA 178.0 179.99998 1 14 ASN CA 1 14 ASN C 1 15 PHE N 1 15 PHE CA 1 1
14 . 1 1 15 PHE CA 1 1 15 PHE C 1 1 16 LEU N 1 1 16 LEU CA 178.0 179.99998 1 15 PHE CA 1 15 PHE C 1 16 LEU N 1 16 LEU CA 1 1
15 . 1 1 16 LEU CA 1 1 16 LEU C 1 1 17 GLY N 1 1 17 GLY CA 178.0 179.99998 1 16 LEU CA 1 16 LEU C 1 17 GLY N 1 17 GLY CA 1 1
16 . 1 1 17 GLY CA 1 1 17 GLY C 1 1 18 GLY N 1 1 18 GLY CA 178.0 179.99998 1 17 GLY CA 1 17 GLY C 1 18 GLY N 1 18 GLY CA 1 1
17 . 1 1 18 GLY CA 1 1 18 GLY C 1 1 19 GLY N 1 1 19 GLY CA 178.0 179.99998 1 18 GLY CA 1 18 GLY C 1 19 GLY N 1 19 GLY CA 1 1
18 . 1 1 19 GLY CA 1 1 19 GLY C 1 1 20 TYR N 1 1 20 TYR CA 178.0 179.99998 1 19 GLY CA 1 19 GLY C 1 20 TYR N 1 20 TYR 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 VAL C C -9.325 2.246 -7.380 1.00 . A A . 1 VAL C 1 1
1 2 1 1 1 VAL CA C -8.764 2.507 -8.808 1.00 . A A . 1 VAL CA 1 1
1 3 1 1 1 VAL CB C -7.340 3.156 -8.798 1.00 . A A . 1 VAL CB 1 1
1 4 1 1 1 VAL CG1 C -6.651 3.102 -10.181 1.00 . A A . 1 VAL CG1 1 1
1 5 1 1 1 VAL CG2 C -7.284 4.594 -8.243 1.00 . A A . 1 VAL CG2 1 1
1 6 1 1 1 VAL H1 H -9.442 3.337 -10.585 1.00 . A A . 1 VAL H1 1 1
1 7 1 1 1 VAL H2 H -10.642 2.717 -9.664 1.00 . A A . 1 VAL H2 1 1
1 8 1 1 1 VAL HA H -8.639 1.535 -9.311 1.00 . A A . 1 VAL HA 1 1
1 9 1 1 1 VAL HB H -6.711 2.538 -8.128 1.00 . A A . 1 VAL HB 1 1
1 10 1 1 1 VAL HG11 H -7.180 3.714 -10.935 1.00 . A A . 1 VAL HG11 1 1
1 11 1 1 1 VAL HG12 H -6.606 2.068 -10.572 1.00 . A A . 1 VAL HG12 1 1
1 12 1 1 1 VAL HG13 H -5.608 3.468 -10.134 1.00 . A A . 1 VAL HG13 1 1
1 13 1 1 1 VAL HG21 H -7.870 5.294 -8.867 1.00 . A A . 1 VAL HG21 1 1
1 14 1 1 1 VAL HG22 H -6.246 4.968 -8.196 1.00 . A A . 1 VAL HG22 1 1
1 15 1 1 1 VAL HG23 H -7.692 4.642 -7.218 1.00 . A A . 1 VAL HG23 1 1
1 16 1 1 1 VAL N N -9.767 3.249 -9.616 1.00 . A A . 1 VAL N 1 1
1 17 1 1 1 VAL O O -9.836 3.156 -6.716 1.00 . A A . 1 VAL O 1 1
1 18 1 1 2 ILE C C -9.005 1.099 -4.373 1.00 . A A . 2 ILE C 1 1
1 19 1 1 2 ILE CA C -9.753 0.537 -5.607 1.00 . A A . 2 ILE CA 1 1
1 20 1 1 2 ILE CB C -9.948 -1.000 -5.684 1.00 . A A . 2 ILE CB 1 1
1 21 1 1 2 ILE CD1 C -11.224 -2.670 -7.138 1.00 . A A . 2 ILE CD1 1 1
1 22 1 1 2 ILE CG1 C -10.904 -1.260 -6.877 1.00 . A A . 2 ILE CG1 1 1
1 23 1 1 2 ILE CG2 C -10.440 -1.630 -4.347 1.00 . A A . 2 ILE CG2 1 1
1 24 1 1 2 ILE H H -9.134 0.205 -7.548 1.00 . A A . 2 ILE H 1 1
1 25 1 1 2 ILE HA H -10.815 0.756 -5.549 1.00 . A A . 2 ILE HA 1 1
1 26 1 1 2 ILE HB H -9.020 -1.485 -5.962 1.00 . A A . 2 ILE HB 1 1
1 27 1 1 2 ILE HD11 H -11.804 -2.660 -8.070 1.00 . A A . 2 ILE HD11 1 1
1 28 1 1 2 ILE HD12 H -10.250 -3.175 -7.239 1.00 . A A . 2 ILE HD12 1 1
1 29 1 1 2 ILE HD13 H -11.808 -3.013 -6.273 1.00 . A A . 2 ILE HD13 1 1
1 30 1 1 2 ILE HG12 H -11.813 -0.680 -6.729 1.00 . A A . 2 ILE HG12 1 1
1 31 1 1 2 ILE HG13 H -10.479 -0.893 -7.832 1.00 . A A . 2 ILE HG13 1 1
1 32 1 1 2 ILE HG21 H -11.426 -1.234 -4.039 1.00 . A A . 2 ILE HG21 1 1
1 33 1 1 2 ILE HG22 H -9.738 -1.437 -3.517 1.00 . A A . 2 ILE HG22 1 1
1 34 1 1 2 ILE HG23 H -10.528 -2.730 -4.411 1.00 . A A . 2 ILE HG23 1 1
1 35 1 1 2 ILE N N -9.177 1.000 -6.894 1.00 . A A . 2 ILE N 1 1
1 36 1 1 2 ILE O O -9.641 1.646 -3.468 1.00 . A A . 2 ILE O 1 1
1 37 1 1 3 LYS C C -7.097 0.777 -1.860 1.00 . A A . 3 LYS C 1 1
1 38 1 1 3 LYS CA C -6.780 1.431 -3.253 1.00 . A A . 3 LYS CA 1 1
1 39 1 1 3 LYS CB C -6.590 2.960 -3.238 1.00 . A A . 3 LYS CB 1 1
1 40 1 1 3 LYS CD C -5.120 4.825 -4.245 1.00 . A A . 3 LYS CD 1 1
1 41 1 1 3 LYS CE C -6.108 5.996 -4.401 1.00 . A A . 3 LYS CE 1 1
1 42 1 1 3 LYS CG C -5.729 3.437 -4.413 1.00 . A A . 3 LYS CG 1 1
1 43 1 1 3 LYS H H -7.317 0.509 -5.221 1.00 . A A . 3 LYS H 1 1
1 44 1 1 3 LYS HA H -5.771 1.115 -3.513 1.00 . A A . 3 LYS HA 1 1
1 45 1 1 3 LYS HB2 H -7.551 3.453 -3.311 1.00 . A A . 3 LYS HB2 1 1
1 46 1 1 3 LYS HB3 H -6.121 3.280 -2.285 1.00 . A A . 3 LYS HB3 1 1
1 47 1 1 3 LYS HD2 H -4.623 4.841 -3.255 1.00 . A A . 3 LYS HD2 1 1
1 48 1 1 3 LYS HD3 H -4.313 4.892 -4.994 1.00 . A A . 3 LYS HD3 1 1
1 49 1 1 3 LYS HE2 H -6.596 5.960 -5.392 1.00 . A A . 3 LYS HE2 1 1
1 50 1 1 3 LYS HE3 H -6.918 5.923 -3.652 1.00 . A A . 3 LYS HE3 1 1
1 51 1 1 3 LYS HG2 H -4.883 2.747 -4.489 1.00 . A A . 3 LYS HG2 1 1
1 52 1 1 3 LYS HG3 H -6.291 3.322 -5.357 1.00 . A A . 3 LYS HG3 1 1
1 53 1 1 3 LYS HZ1 H -5.026 7.369 -3.305 1.00 . A A . 3 LYS HZ1 1 1
1 54 1 1 3 LYS HZ2 H -6.106 8.058 -4.321 1.00 . A A . 3 LYS HZ2 1 1
1 55 1 1 3 LYS N N -7.665 0.961 -4.367 1.00 . A A . 3 LYS N 1 1
1 56 1 1 3 LYS NZ N -5.426 7.292 -4.246 1.00 . A A . 3 LYS NZ 1 1
1 57 1 1 3 LYS O O -6.888 1.372 -0.799 1.00 . A A . 3 LYS O 1 1
1 58 1 1 4 HIS C C -8.928 -0.730 0.298 1.00 . A A . 4 HIS C 1 1
1 59 1 1 4 HIS CA C -7.992 -1.326 -0.773 1.00 . A A . 4 HIS CA 1 1
1 60 1 1 4 HIS CB C -6.723 -2.120 -0.396 1.00 . A A . 4 HIS CB 1 1
1 61 1 1 4 HIS CD2 C -7.354 -4.272 -1.543 1.00 . A A . 4 HIS CD2 1 1
1 62 1 1 4 HIS CE1 C -6.724 -3.562 -3.407 1.00 . A A . 4 HIS CE1 1 1
1 63 1 1 4 HIS CG C -6.369 -3.277 -1.368 1.00 . A A . 4 HIS CG 1 1
1 64 1 1 4 HIS H H -7.569 -0.989 -2.768 1.00 . A A . 4 HIS H 1 1
1 65 1 1 4 HIS HA H -8.634 -2.092 -1.203 1.00 . A A . 4 HIS HA 1 1
1 66 1 1 4 HIS HB2 H -5.894 -1.412 -0.339 1.00 . A A . 4 HIS HB2 1 1
1 67 1 1 4 HIS HB3 H -6.886 -2.525 0.592 1.00 . A A . 4 HIS HB3 1 1
1 68 1 1 4 HIS HD2 H -8.150 -4.351 -0.822 1.00 . A A . 4 HIS HD2 1 1
1 69 1 1 4 HIS HE1 H -7.002 -2.998 -4.283 1.00 . A A . 4 HIS HE1 1 1
1 70 1 1 4 HIS HE2 H -8.661 -4.330 -3.116 1.00 . A A . 4 HIS HE2 1 1
1 71 1 1 4 HIS N N -7.604 -0.475 -1.900 1.00 . A A . 4 HIS N 1 1
1 72 1 1 4 HIS ND1 N -5.808 -2.950 -2.597 1.00 . A A . 4 HIS ND1 1 1
1 73 1 1 4 HIS NE2 N -7.666 -4.404 -2.876 1.00 . A A . 4 HIS NE2 1 1
1 74 1 1 4 HIS O O -8.819 -1.080 1.481 1.00 . A A . 4 HIS O 1 1
1 75 1 1 5 ASN C C -10.438 1.430 1.933 1.00 . A A . 5 ASN C 1 1
1 76 1 1 5 ASN CA C -10.924 0.851 0.567 1.00 . A A . 5 ASN CA 1 1
1 77 1 1 5 ASN CB C -12.216 -0.017 0.685 1.00 . A A . 5 ASN CB 1 1
1 78 1 1 5 ASN CG C -12.914 -0.386 -0.643 1.00 . A A . 5 ASN CG 1 1
1 79 1 1 5 ASN H H -9.633 0.403 -1.180 1.00 . A A . 5 ASN H 1 1
1 80 1 1 5 ASN HA H -11.193 1.736 -0.040 1.00 . A A . 5 ASN HA 1 1
1 81 1 1 5 ASN HB2 H -11.985 -0.950 1.235 1.00 . A A . 5 ASN HB2 1 1
1 82 1 1 5 ASN HB3 H -12.952 0.500 1.333 1.00 . A A . 5 ASN HB3 1 1
1 83 1 1 5 ASN HD21 H -13.935 1.340 -0.626 1.00 . A A . 5 ASN HD21 1 1
1 84 1 1 5 ASN HD22 H -14.230 0.204 -2.037 1.00 . A A . 5 ASN HD22 1 1
1 85 1 1 5 ASN N N -9.874 0.116 -0.213 1.00 . A A . 5 ASN N 1 1
1 86 1 1 5 ASN ND2 N -13.782 0.474 -1.154 1.00 . A A . 5 ASN ND2 1 1
1 87 1 1 5 ASN O O -11.150 1.391 2.942 1.00 . A A . 5 ASN O 1 1
1 88 1 1 5 ASN OD1 O -12.673 -1.449 -1.216 1.00 . A A . 5 ASN OD1 1 1
1 89 1 1 6 ARG C C -8.432 1.587 4.314 1.00 . A A . 6 ARG C 1 1
1 90 1 1 6 ARG CA C -8.548 2.599 3.119 1.00 . A A . 6 ARG CA 1 1
1 91 1 1 6 ARG CB C -9.167 3.975 3.524 1.00 . A A . 6 ARG CB 1 1
1 92 1 1 6 ARG CD C -10.276 5.347 1.606 1.00 . A A . 6 ARG CD 1 1
1 93 1 1 6 ARG CG C -8.988 5.108 2.451 1.00 . A A . 6 ARG CG 1 1
1 94 1 1 6 ARG CZ C -10.343 7.726 0.788 1.00 . A A . 6 ARG CZ 1 1
1 95 1 1 6 ARG H H -8.725 1.904 1.025 1.00 . A A . 6 ARG H 1 1
1 96 1 1 6 ARG HA H -7.497 2.772 2.806 1.00 . A A . 6 ARG HA 1 1
1 97 1 1 6 ARG HB2 H -10.233 3.833 3.826 1.00 . A A . 6 ARG HB2 1 1
1 98 1 1 6 ARG HB3 H -8.721 4.291 4.490 1.00 . A A . 6 ARG HB3 1 1
1 99 1 1 6 ARG HD2 H -10.575 4.424 1.067 1.00 . A A . 6 ARG HD2 1 1
1 100 1 1 6 ARG HD3 H -11.161 5.557 2.244 1.00 . A A . 6 ARG HD3 1 1
1 101 1 1 6 ARG HG2 H -8.660 6.058 2.927 1.00 . A A . 6 ARG HG2 1 1
1 102 1 1 6 ARG HG3 H -8.115 4.907 1.780 1.00 . A A . 6 ARG HG3 1 1
1 103 1 1 6 ARG HH11 H -10.957 7.572 2.698 1.00 . A A . 6 ARG HH11 1 1
1 104 1 1 6 ARG HH12 H -10.952 9.249 1.954 1.00 . A A . 6 ARG HH12 1 1
1 105 1 1 6 ARG HH21 H -9.776 8.141 -1.087 1.00 . A A . 6 ARG HH21 1 1
1 106 1 1 6 ARG HH22 H -10.328 9.547 -0.045 1.00 . A A . 6 ARG HH22 1 1
1 107 1 1 6 ARG N N -9.213 2.006 1.924 1.00 . A A . 6 ARG N 1 1
1 108 1 1 6 ARG NE N -10.087 6.416 0.593 1.00 . A A . 6 ARG NE 1 1
1 109 1 1 6 ARG NH1 N -10.797 8.235 1.932 1.00 . A A . 6 ARG NH1 1 1
1 110 1 1 6 ARG NH2 N -10.127 8.555 -0.217 1.00 . A A . 6 ARG NH2 1 1
1 111 1 1 6 ARG O O -8.583 1.988 5.472 1.00 . A A . 6 ARG O 1 1
1 112 1 1 7 PHE C C -6.609 -1.438 5.004 1.00 . A A . 7 PHE C 1 1
1 113 1 1 7 PHE CA C -8.008 -0.777 5.030 1.00 . A A . 7 PHE CA 1 1
1 114 1 1 7 PHE CB C -9.201 -1.759 4.936 1.00 . A A . 7 PHE CB 1 1
1 115 1 1 7 PHE CD1 C -8.859 -3.727 6.542 1.00 . A A . 7 PHE CD1 1 1
1 116 1 1 7 PHE CD2 C -10.465 -2.022 7.131 1.00 . A A . 7 PHE CD2 1 1
1 117 1 1 7 PHE CE1 C -9.150 -4.407 7.723 1.00 . A A . 7 PHE CE1 1 1
1 118 1 1 7 PHE CE2 C -10.755 -2.704 8.311 1.00 . A A . 7 PHE CE2 1 1
1 119 1 1 7 PHE CG C -9.516 -2.529 6.235 1.00 . A A . 7 PHE CG 1 1
1 120 1 1 7 PHE CZ C -10.098 -3.896 8.605 1.00 . A A . 7 PHE CZ 1 1
1 121 1 1 7 PHE H H -8.178 0.026 3.026 1.00 . A A . 7 PHE H 1 1
1 122 1 1 7 PHE HA H -8.105 -0.320 5.995 1.00 . A A . 7 PHE HA 1 1
1 123 1 1 7 PHE HB2 H -10.122 -1.220 4.621 1.00 . A A . 7 PHE HB2 1 1
1 124 1 1 7 PHE HB3 H -8.984 -2.454 4.116 1.00 . A A . 7 PHE HB3 1 1
1 125 1 1 7 PHE HD1 H -8.113 -4.132 5.878 1.00 . A A . 7 PHE HD1 1 1
1 126 1 1 7 PHE HD2 H -10.982 -1.096 6.919 1.00 . A A . 7 PHE HD2 1 1
1 127 1 1 7 PHE HE1 H -8.638 -5.329 7.955 1.00 . A A . 7 PHE HE1 1 1
1 128 1 1 7 PHE HE2 H -11.489 -2.308 8.998 1.00 . A A . 7 PHE HE2 1 1
1 129 1 1 7 PHE HZ H -10.323 -4.424 9.521 1.00 . A A . 7 PHE HZ 1 1
1 130 1 1 7 PHE N N -8.142 0.292 4.020 1.00 . A A . 7 PHE N 1 1
1 131 1 1 7 PHE O O -5.940 -1.466 6.042 1.00 . A A . 7 PHE O 1 1
1 132 1 1 8 LEU C C -3.595 -1.637 3.770 1.00 . A A . 8 LEU C 1 1
1 133 1 1 8 LEU CA C -4.833 -2.593 3.702 1.00 . A A . 8 LEU CA 1 1
1 134 1 1 8 LEU CB C -4.795 -3.417 2.400 1.00 . A A . 8 LEU CB 1 1
1 135 1 1 8 LEU CD1 C -5.027 -5.843 3.192 1.00 . A A . 8 LEU CD1 1 1
1 136 1 1 8 LEU CD2 C -7.183 -4.644 2.768 1.00 . A A . 8 LEU CD2 1 1
1 137 1 1 8 LEU CG C -5.692 -4.725 2.370 1.00 . A A . 8 LEU CG 1 1
1 138 1 1 8 LEU H H -6.835 -1.997 3.064 1.00 . A A . 8 LEU H 1 1
1 139 1 1 8 LEU HA H -4.750 -3.358 4.480 1.00 . A A . 8 LEU HA 1 1
1 140 1 1 8 LEU HB2 H -4.968 -2.711 1.567 1.00 . A A . 8 LEU HB2 1 1
1 141 1 1 8 LEU HB3 H -3.727 -3.683 2.221 1.00 . A A . 8 LEU HB3 1 1
1 142 1 1 8 LEU HD11 H -5.015 -5.603 4.272 1.00 . A A . 8 LEU HD11 1 1
1 143 1 1 8 LEU HD12 H -3.981 -6.006 2.876 1.00 . A A . 8 LEU HD12 1 1
1 144 1 1 8 LEU HD13 H -5.560 -6.803 3.075 1.00 . A A . 8 LEU HD13 1 1
1 145 1 1 8 LEU HD21 H -7.724 -3.857 2.215 1.00 . A A . 8 LEU HD21 1 1
1 146 1 1 8 LEU HD22 H -7.319 -4.451 3.845 1.00 . A A . 8 LEU HD22 1 1
1 147 1 1 8 LEU HD23 H -7.710 -5.594 2.553 1.00 . A A . 8 LEU HD23 1 1
1 148 1 1 8 LEU HG H -5.774 -5.083 1.342 1.00 . A A . 8 LEU HG 1 1
1 149 1 1 8 LEU N N -6.163 -1.951 3.841 1.00 . A A . 8 LEU N 1 1
1 150 1 1 8 LEU O O -2.512 -2.089 4.151 1.00 . A A . 8 LEU O 1 1
1 151 1 1 9 SER C C -1.630 0.461 2.283 1.00 . A A . 9 SER C 1 1
1 152 1 1 9 SER CA C -2.692 0.694 3.385 1.00 . A A . 9 SER CA 1 1
1 153 1 1 9 SER CB C -2.197 0.957 4.811 1.00 . A A . 9 SER CB 1 1
1 154 1 1 9 SER H H -4.715 -0.077 3.191 1.00 . A A . 9 SER H 1 1
1 155 1 1 9 SER HA H -3.174 1.628 3.137 1.00 . A A . 9 SER HA 1 1
1 156 1 1 9 SER HB2 H -3.087 0.977 5.469 1.00 . A A . 9 SER HB2 1 1
1 157 1 1 9 SER HB3 H -1.557 0.130 5.132 1.00 . A A . 9 SER HB3 1 1
1 158 1 1 9 SER HG H -1.226 2.270 5.827 1.00 . A A . 9 SER HG 1 1
1 159 1 1 9 SER N N -3.754 -0.347 3.389 1.00 . A A . 9 SER N 1 1
1 160 1 1 9 SER O O -0.431 0.550 2.550 1.00 . A A . 9 SER O 1 1
1 161 1 1 9 SER OG O -1.483 2.185 4.906 1.00 . A A . 9 SER OG 1 1
1 162 1 1 10 GLU C C -0.206 -1.188 0.092 1.00 . A A . 10 GLU C 1 1
1 163 1 1 10 GLU CA C -1.241 -0.055 -0.160 1.00 . A A . 10 GLU CA 1 1
1 164 1 1 10 GLU CB C -0.714 1.306 -0.704 1.00 . A A . 10 GLU CB 1 1
1 165 1 1 10 GLU CD C -2.664 1.932 -2.302 1.00 . A A . 10 GLU CD 1 1
1 166 1 1 10 GLU CG C -1.749 2.369 -1.152 1.00 . A A . 10 GLU CG 1 1
1 167 1 1 10 GLU H H -3.062 0.338 0.802 1.00 . A A . 10 GLU H 1 1
1 168 1 1 10 GLU HA H -1.950 -0.512 -0.865 1.00 . A A . 10 GLU HA 1 1
1 169 1 1 10 GLU HB2 H -0.043 1.763 0.048 1.00 . A A . 10 GLU HB2 1 1
1 170 1 1 10 GLU HB3 H -0.065 1.111 -1.553 1.00 . A A . 10 GLU HB3 1 1
1 171 1 1 10 GLU HE2 H -2.724 1.977 -4.247 1.00 . A A . 10 GLU HE2 1 1
1 172 1 1 10 GLU HG2 H -2.373 2.674 -0.292 1.00 . A A . 10 GLU HG2 1 1
1 173 1 1 10 GLU HG3 H -1.212 3.291 -1.447 1.00 . A A . 10 GLU HG3 1 1
1 174 1 1 10 GLU N N -2.081 0.209 1.024 1.00 . A A . 10 GLU N 1 1
1 175 1 1 10 GLU O O 0.988 -1.059 -0.193 1.00 . A A . 10 GLU O 1 1
1 176 1 1 10 GLU OE1 O -3.738 1.357 -2.128 1.00 . A A . 10 GLU OE1 1 1
1 177 1 1 10 GLU OE2 O -2.148 2.253 -3.531 1.00 . A A . 10 GLU OE2 1 1
1 178 1 1 11 TYR C C 1.017 -3.170 2.115 1.00 . A A . 11 TYR C 1 1
1 179 1 1 11 TYR CA C 0.014 -3.551 0.973 1.00 . A A . 11 TYR CA 1 1
1 180 1 1 11 TYR CB C 0.608 -4.277 -0.277 1.00 . A A . 11 TYR CB 1 1
1 181 1 1 11 TYR CD1 C 0.229 -6.770 0.108 1.00 . A A . 11 TYR CD1 1 1
1 182 1 1 11 TYR CD2 C 2.503 -5.957 0.067 1.00 . A A . 11 TYR CD2 1 1
1 183 1 1 11 TYR CE1 C 0.697 -8.062 0.341 1.00 . A A . 11 TYR CE1 1 1
1 184 1 1 11 TYR CE2 C 2.969 -7.248 0.305 1.00 . A A . 11 TYR CE2 1 1
1 185 1 1 11 TYR CG C 1.128 -5.706 -0.026 1.00 . A A . 11 TYR CG 1 1
1 186 1 1 11 TYR CZ C 2.066 -8.300 0.441 1.00 . A A . 11 TYR CZ 1 1
1 187 1 1 11 TYR H H -1.703 -2.144 0.958 1.00 . A A . 11 TYR H 1 1
1 188 1 1 11 TYR HA H -0.707 -4.235 1.432 1.00 . A A . 11 TYR HA 1 1
1 189 1 1 11 TYR HB2 H -0.165 -4.329 -1.069 1.00 . A A . 11 TYR HB2 1 1
1 190 1 1 11 TYR HB3 H 1.405 -3.652 -0.724 1.00 . A A . 11 TYR HB3 1 1
1 191 1 1 11 TYR HD1 H -0.836 -6.601 0.037 1.00 . A A . 11 TYR HD1 1 1
1 192 1 1 11 TYR HD2 H 3.217 -5.153 -0.034 1.00 . A A . 11 TYR HD2 1 1
1 193 1 1 11 TYR HE1 H -0.006 -8.876 0.446 1.00 . A A . 11 TYR HE1 1 1
1 194 1 1 11 TYR HE2 H 4.031 -7.429 0.382 1.00 . A A . 11 TYR HE2 1 1
1 195 1 1 11 TYR HH H 1.776 -10.168 0.739 1.00 . A A . 11 TYR HH 1 1
1 196 1 1 11 TYR N N -0.751 -2.323 0.605 1.00 . A A . 11 TYR N 1 1
1 197 1 1 11 TYR O O 2.170 -3.605 2.092 1.00 . A A . 11 TYR O 1 1
1 198 1 1 11 TYR OH O 2.526 -9.572 0.673 1.00 . A A . 11 TYR OH 1 1
1 199 1 1 12 GLN C C 2.652 -1.128 3.710 1.00 . A A . 12 GLN C 1 1
1 200 1 1 12 GLN CA C 1.415 -1.912 4.277 1.00 . A A . 12 GLN CA 1 1
1 201 1 1 12 GLN CB C 1.653 -3.085 5.246 1.00 . A A . 12 GLN CB 1 1
1 202 1 1 12 GLN CD C 3.245 -2.158 7.104 1.00 . A A . 12 GLN CD 1 1
1 203 1 1 12 GLN CG C 1.875 -2.750 6.736 1.00 . A A . 12 GLN CG 1 1
1 204 1 1 12 GLN H H -0.421 -2.091 3.103 1.00 . A A . 12 GLN H 1 1
1 205 1 1 12 GLN HA H 0.828 -1.201 4.850 1.00 . A A . 12 GLN HA 1 1
1 206 1 1 12 GLN HB2 H 0.744 -3.714 5.200 1.00 . A A . 12 GLN HB2 1 1
1 207 1 1 12 GLN HB3 H 2.477 -3.692 4.855 1.00 . A A . 12 GLN HB3 1 1
1 208 1 1 12 GLN HE21 H 4.096 -3.974 7.009 1.00 . A A . 12 GLN HE21 1 1
1 209 1 1 12 GLN HE22 H 5.182 -2.561 7.445 1.00 . A A . 12 GLN HE22 1 1
1 210 1 1 12 GLN HG2 H 1.077 -2.061 7.071 1.00 . A A . 12 GLN HG2 1 1
1 211 1 1 12 GLN HG3 H 1.707 -3.671 7.326 1.00 . A A . 12 GLN HG3 1 1
1 212 1 1 12 GLN N N 0.566 -2.379 3.141 1.00 . A A . 12 GLN N 1 1
1 213 1 1 12 GLN NE2 N 4.280 -2.982 7.195 1.00 . A A . 12 GLN NE2 1 1
1 214 1 1 12 GLN O O 3.777 -1.311 4.179 1.00 . A A . 12 GLN O 1 1
1 215 1 1 12 GLN OE1 O 3.380 -0.954 7.315 1.00 . A A . 12 GLN OE1 1 1
1 216 1 1 13 SER C C 4.554 -0.384 1.386 1.00 . A A . 13 SER C 1 1
1 217 1 1 13 SER CA C 3.474 0.557 2.006 1.00 . A A . 13 SER CA 1 1
1 218 1 1 13 SER CB C 3.917 1.702 2.915 1.00 . A A . 13 SER CB 1 1
1 219 1 1 13 SER H H 1.443 -0.158 2.378 1.00 . A A . 13 SER H 1 1
1 220 1 1 13 SER HA H 3.010 1.065 1.172 1.00 . A A . 13 SER HA 1 1
1 221 1 1 13 SER HB2 H 3.005 2.178 3.326 1.00 . A A . 13 SER HB2 1 1
1 222 1 1 13 SER HB3 H 4.484 1.295 3.754 1.00 . A A . 13 SER HB3 1 1
1 223 1 1 13 SER HG H 4.924 3.339 2.854 1.00 . A A . 13 SER HG 1 1
1 224 1 1 13 SER N N 2.423 -0.247 2.686 1.00 . A A . 13 SER N 1 1
1 225 1 1 13 SER O O 5.753 -0.138 1.547 1.00 . A A . 13 SER O 1 1
1 226 1 1 13 SER OG O 4.701 2.660 2.214 1.00 . A A . 13 SER OG 1 1
1 227 1 1 14 ASN C C 5.851 -3.194 1.128 1.00 . A A . 14 ASN C 1 1
1 228 1 1 14 ASN CA C 5.016 -2.461 0.016 1.00 . A A . 14 ASN CA 1 1
1 229 1 1 14 ASN CB C 5.853 -1.890 -1.172 1.00 . A A . 14 ASN CB 1 1
1 230 1 1 14 ASN CG C 5.005 -1.619 -2.427 1.00 . A A . 14 ASN CG 1 1
1 231 1 1 14 ASN H H 3.099 -1.665 0.738 1.00 . A A . 14 ASN H 1 1
1 232 1 1 14 ASN HA H 4.379 -3.244 -0.410 1.00 . A A . 14 ASN HA 1 1
1 233 1 1 14 ASN HB2 H 6.379 -0.964 -0.876 1.00 . A A . 14 ASN HB2 1 1
1 234 1 1 14 ASN HB3 H 6.665 -2.597 -1.428 1.00 . A A . 14 ASN HB3 1 1
1 235 1 1 14 ASN HD21 H 5.896 -3.109 -3.469 1.00 . A A . 14 ASN HD21 1 1
1 236 1 1 14 ASN HD22 H 4.223 -2.565 -3.964 1.00 . A A . 14 ASN HD22 1 1
1 237 1 1 14 ASN N N 4.107 -1.450 0.646 1.00 . A A . 14 ASN N 1 1
1 238 1 1 14 ASN ND2 N 5.095 -2.465 -3.441 1.00 . A A . 14 ASN ND2 1 1
1 239 1 1 14 ASN O O 6.992 -3.594 0.878 1.00 . A A . 14 ASN O 1 1
1 240 1 1 14 ASN OD1 O 4.208 -0.682 -2.471 1.00 . A A . 14 ASN OD1 1 1
1 241 1 1 15 PHE C C 7.285 -3.380 3.814 1.00 . A A . 15 PHE C 1 1
1 242 1 1 15 PHE CA C 5.909 -4.070 3.519 1.00 . A A . 15 PHE CA 1 1
1 243 1 1 15 PHE CB C 5.856 -5.597 3.386 1.00 . A A . 15 PHE CB 1 1
1 244 1 1 15 PHE CD1 C 5.171 -6.488 5.676 1.00 . A A . 15 PHE CD1 1 1
1 245 1 1 15 PHE CD2 C 7.375 -7.034 4.850 1.00 . A A . 15 PHE CD2 1 1
1 246 1 1 15 PHE CE1 C 5.432 -7.204 6.842 1.00 . A A . 15 PHE CE1 1 1
1 247 1 1 15 PHE CE2 C 7.633 -7.750 6.017 1.00 . A A . 15 PHE CE2 1 1
1 248 1 1 15 PHE CG C 6.143 -6.394 4.672 1.00 . A A . 15 PHE CG 1 1
1 249 1 1 15 PHE CZ C 6.662 -7.835 7.011 1.00 . A A . 15 PHE CZ 1 1
1 250 1 1 15 PHE H H 4.281 -3.089 2.433 1.00 . A A . 15 PHE H 1 1
1 251 1 1 15 PHE HA H 5.265 -3.858 4.377 1.00 . A A . 15 PHE HA 1 1
1 252 1 1 15 PHE HB2 H 4.843 -5.849 3.023 1.00 . A A . 15 PHE HB2 1 1
1 253 1 1 15 PHE HB3 H 6.539 -5.876 2.580 1.00 . A A . 15 PHE HB3 1 1
1 254 1 1 15 PHE HD1 H 4.213 -6.002 5.559 1.00 . A A . 15 PHE HD1 1 1
1 255 1 1 15 PHE HD2 H 8.140 -6.976 4.088 1.00 . A A . 15 PHE HD2 1 1
1 256 1 1 15 PHE HE1 H 4.680 -7.270 7.614 1.00 . A A . 15 PHE HE1 1 1
1 257 1 1 15 PHE HE2 H 8.586 -8.240 6.150 1.00 . A A . 15 PHE HE2 1 1
1 258 1 1 15 PHE HZ H 6.863 -8.390 7.916 1.00 . A A . 15 PHE HZ 1 1
1 259 1 1 15 PHE N N 5.254 -3.420 2.345 1.00 . A A . 15 PHE N 1 1
1 260 1 1 15 PHE O O 8.329 -4.031 3.917 1.00 . A A . 15 PHE O 1 1
1 261 1 1 16 LEU C C 9.558 -1.321 3.105 1.00 . A A . 16 LEU C 1 1
1 262 1 1 16 LEU CA C 8.391 -1.136 4.137 1.00 . A A . 16 LEU CA 1 1
1 263 1 1 16 LEU CB C 8.719 -1.139 5.644 1.00 . A A . 16 LEU CB 1 1
1 264 1 1 16 LEU CD1 C 8.388 0.930 7.039 1.00 . A A . 16 LEU CD1 1 1
1 265 1 1 16 LEU CD2 C 6.305 0.110 6.057 1.00 . A A . 16 LEU CD2 1 1
1 266 1 1 16 LEU CG C 7.696 -0.349 6.572 1.00 . A A . 16 LEU CG 1 1
1 267 1 1 16 LEU H H 6.309 -1.628 4.065 1.00 . A A . 16 LEU H 1 1
1 268 1 1 16 LEU HA H 8.029 -0.111 3.958 1.00 . A A . 16 LEU HA 1 1
1 269 1 1 16 LEU HB2 H 8.876 -2.184 5.976 1.00 . A A . 16 LEU HB2 1 1
1 270 1 1 16 LEU HB3 H 9.755 -0.738 5.737 1.00 . A A . 16 LEU HB3 1 1
1 271 1 1 16 LEU HD11 H 9.341 0.694 7.538 1.00 . A A . 16 LEU HD11 1 1
1 272 1 1 16 LEU HD12 H 8.602 1.578 6.167 1.00 . A A . 16 LEU HD12 1 1
1 273 1 1 16 LEU HD13 H 7.754 1.495 7.743 1.00 . A A . 16 LEU HD13 1 1
1 274 1 1 16 LEU HD21 H 5.680 -0.741 5.750 1.00 . A A . 16 LEU HD21 1 1
1 275 1 1 16 LEU HD22 H 6.364 0.822 5.213 1.00 . A A . 16 LEU HD22 1 1
1 276 1 1 16 LEU HD23 H 5.731 0.628 6.854 1.00 . A A . 16 LEU HD23 1 1
1 277 1 1 16 LEU HG H 7.411 -0.970 7.438 1.00 . A A . 16 LEU HG 1 1
1 278 1 1 16 LEU N N 7.238 -2.025 3.892 1.00 . A A . 16 LEU N 1 1
1 279 1 1 16 LEU O O 10.726 -1.408 3.497 1.00 . A A . 16 LEU O 1 1
1 280 1 1 17 GLY C C 9.649 -1.468 -0.669 1.00 . A A . 17 GLY C 1 1
1 281 1 1 17 GLY CA C 10.264 -1.504 0.738 1.00 . A A . 17 GLY CA 1 1
1 282 1 1 17 GLY H H 8.227 -1.470 1.568 1.00 . A A . 17 GLY H 1 1
1 283 1 1 17 GLY HA2 H 11.043 -0.724 0.852 1.00 . A A . 17 GLY HA2 1 1
1 284 1 1 17 GLY HA3 H 10.792 -2.468 0.873 1.00 . A A . 17 GLY HA3 1 1
1 285 1 1 17 GLY N N 9.234 -1.356 1.787 1.00 . A A . 17 GLY N 1 1
1 286 1 1 17 GLY O O 9.248 -2.512 -1.191 1.00 . A A . 17 GLY O 1 1
1 287 1 1 18 GLY C C 9.427 1.301 -3.185 1.00 . A A . 18 GLY C 1 1
1 288 1 1 18 GLY CA C 9.061 -0.088 -2.635 1.00 . A A . 18 GLY CA 1 1
1 289 1 1 18 GLY H H 9.983 0.511 -0.726 1.00 . A A . 18 GLY H 1 1
1 290 1 1 18 GLY HA2 H 9.407 -0.898 -3.308 1.00 . A A . 18 GLY HA2 1 1
1 291 1 1 18 GLY HA3 H 7.959 -0.180 -2.604 1.00 . A A . 18 GLY HA3 1 1
1 292 1 1 18 GLY N N 9.607 -0.270 -1.274 1.00 . A A . 18 GLY N 1 1
1 293 1 1 18 GLY O O 8.865 2.309 -2.746 1.00 . A A . 18 GLY O 1 1
1 294 1 1 19 GLY C C 9.872 3.059 -5.920 1.00 . A A . 19 GLY C 1 1
1 295 1 1 19 GLY CA C 10.811 2.594 -4.790 1.00 . A A . 19 GLY CA 1 1
1 296 1 1 19 GLY H H 10.725 0.422 -4.439 1.00 . A A . 19 GLY H 1 1
1 297 1 1 19 GLY HA2 H 10.972 3.378 -4.023 1.00 . A A . 19 GLY HA2 1 1
1 298 1 1 19 GLY HA3 H 11.813 2.418 -5.223 1.00 . A A . 19 GLY HA3 1 1
1 299 1 1 19 GLY N N 10.353 1.335 -4.159 1.00 . A A . 19 GLY N 1 1
1 300 1 1 19 GLY O O 9.741 2.374 -6.939 1.00 . A A . 19 GLY O 1 1
1 301 1 1 20 TYR C C 8.496 6.352 -6.687 1.00 . A A . 20 TYR C 1 1
1 302 1 1 20 TYR CA C 8.282 4.817 -6.688 1.00 . A A . 20 TYR CA 1 1
1 303 1 1 20 TYR CB C 6.793 4.463 -6.389 1.00 . A A . 20 TYR CB 1 1
1 304 1 1 20 TYR CD1 C 6.189 2.345 -7.687 1.00 . A A . 20 TYR CD1 1 1
1 305 1 1 20 TYR CD2 C 6.362 2.209 -5.282 1.00 . A A . 20 TYR CD2 1 1
1 306 1 1 20 TYR CE1 C 5.901 0.983 -7.741 1.00 . A A . 20 TYR CE1 1 1
1 307 1 1 20 TYR CE2 C 6.081 0.847 -5.339 1.00 . A A . 20 TYR CE2 1 1
1 308 1 1 20 TYR CG C 6.425 2.968 -6.456 1.00 . A A . 20 TYR CG 1 1
1 309 1 1 20 TYR CZ C 5.847 0.234 -6.567 1.00 . A A . 20 TYR CZ 1 1
1 310 1 1 20 TYR H H 9.516 4.746 -4.896 1.00 . A A . 20 TYR H 1 1
1 311 1 1 20 TYR HA H 8.539 4.426 -7.682 1.00 . A A . 20 TYR HA 1 1
1 312 1 1 20 TYR HB2 H 6.504 4.876 -5.402 1.00 . A A . 20 TYR HB2 1 1
1 313 1 1 20 TYR HB3 H 6.146 5.011 -7.102 1.00 . A A . 20 TYR HB3 1 1
1 314 1 1 20 TYR HD1 H 6.240 2.912 -8.606 1.00 . A A . 20 TYR HD1 1 1
1 315 1 1 20 TYR HD2 H 6.550 2.667 -4.321 1.00 . A A . 20 TYR HD2 1 1
1 316 1 1 20 TYR HE1 H 5.723 0.510 -8.697 1.00 . A A . 20 TYR HE1 1 1
1 317 1 1 20 TYR HE2 H 6.053 0.270 -4.427 1.00 . A A . 20 TYR HE2 1 1
1 318 1 1 20 TYR HH H 5.574 -1.465 -5.729 1.00 . A A . 20 TYR HH 1 1
1 319 1 1 20 TYR N N 9.224 4.219 -5.714 1.00 . A A . 20 TYR N 1 1
1 320 1 1 20 TYR O O 8.235 7.049 -5.703 1.00 . A A . 20 TYR O 1 1
1 321 1 1 20 TYR OH O 5.569 -1.109 -6.621 1.00 . A A . 20 TYR OH 1 1
stop_
save_
Contact the webmaster for help, if required. Saturday, June 1, 2024 12:18:26 AM GMT (wattos1)