NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
594724 |
2mua   |
25204 | cing | 4-filtered-FRED | STAR | entry | full | 211 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2mua
# This FRED archive file contains, for PDB entry <2mua>:
#
# - 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_2mua
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 2mua
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 2436.85
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 $Ring_infected_erythrocyte_surface_antigen A . 1 1
stop_
save_
save_Ring_infected_erythrocyte_surface_antigen
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "Ring infected erythrocyte surface antigen"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code YLGRSGGDIIKKMQTLWDEIM
_Entity.Number_of_monomers 21
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 TYR . 1 1
2 LEU . 1 1
3 GLY . 1 1
4 ARG . 1 1
5 SER . 1 1
6 GLY . 1 1
7 GLY . 1 1
8 ASP . 1 1
9 ILE . 1 1
10 ILE . 1 1
11 LYS . 1 1
12 LYS . 1 1
13 MET . 1 1
14 GLN . 1 1
15 THR . 1 1
16 LEU . 1 1
17 TRP . 1 1
18 ASP . 1 1
19 GLU . 1 1
20 ILE . 1 1
21 MET . 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
TYR 1 1 1 1
LEU 2 2 1 1
GLY 3 3 1 1
ARG 4 4 1 1
SER 5 5 1 1
GLY 6 6 1 1
GLY 7 7 1 1
ASP 8 8 1 1
ILE 9 9 1 1
ILE 10 10 1 1
LYS 11 11 1 1
LYS 12 12 1 1
MET 13 13 1 1
GLN 14 14 1 1
THR 15 15 1 1
LEU 16 16 1 1
TRP 17 17 1 1
ASP 18 18 1 1
GLU 19 19 1 1
ILE 20 20 1 1
MET 21 21 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
167 1 . . . 1 1
168 1 . . . 1 1
169 1 . . . 1 1
170 1 . . . 1 1
171 1 . . . 1 1
172 1 . . . 1 1
173 1 . . . 1 1
174 1 . . . 1 1
175 1 . . . 1 1
176 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 TYR HA 1 1 TYR HA 1 1
1 1 2 1 1 2 LEU H 1 2 LEU HN 1 1
2 1 1 1 1 8 ASP H 1 8 ASP HN 1 1
2 1 2 1 1 8 ASP HA 1 8 ASP HA 1 1
3 1 1 1 1 8 ASP HA 1 8 ASP HA 1 1
3 1 2 1 1 9 ILE H 1 9 ILE HN 1 1
4 1 1 1 1 8 ASP HA 1 8 ASP HA 1 1
4 1 2 1 1 11 LYS H 1 11 LYS HN 1 1
5 1 1 1 1 15 THR H 1 15 THR HN 1 1
5 1 2 1 1 15 THR HA 1 15 THR HA 1 1
6 1 1 1 1 15 THR HA 1 15 THR HA 1 1
6 1 2 1 1 16 LEU H 1 16 LEU HN 1 1
7 1 1 1 1 17 TRP HE3 1 17 TRP HE3 1 1
7 1 2 1 1 18 ASP HA 1 18 ASP HA 1 1
8 1 1 1 1 1 TYR HA 1 1 TYR HA 1 1
8 1 2 1 1 1 TYR QD 1 1 TYR HD* 1 1
9 1 1 1 1 17 TRP HA 1 17 TRP HA 1 1
9 1 2 1 1 17 TRP HD1 1 17 TRP HD1 1 1
10 1 1 1 1 14 GLN HA 1 14 GLN HA 1 1
10 1 2 1 1 17 TRP HE3 1 17 TRP HE3 1 1
11 1 1 1 1 17 TRP HA 1 17 TRP HA 1 1
11 1 2 1 1 17 TRP HE3 1 17 TRP HE3 1 1
12 1 1 1 1 2 LEU HA 1 2 LEU HA 1 1
12 1 2 1 1 3 GLY H 1 3 GLY HN 1 1
13 1 1 1 1 11 LYS H 1 11 LYS HN 1 1
13 1 2 1 1 11 LYS HA 1 11 LYS HA 1 1
14 1 1 1 1 3 GLY H 1 3 GLY HN 1 1
14 1 2 1 1 3 GLY HA2 1 3 GLY HAR 1 1
15 1 1 1 1 3 GLY H 1 3 GLY HN 1 1
15 1 2 1 1 3 GLY HA3 1 3 GLY HAS 1 1
16 1 1 1 1 10 ILE H 1 10 ILE HN 1 1
16 1 2 1 1 10 ILE HA 1 10 ILE HA 1 1
17 1 1 1 1 9 ILE HA 1 9 ILE HA 1 1
17 1 2 1 1 10 ILE H 1 10 ILE HN 1 1
18 1 1 1 1 7 GLY QA 1 7 GLY HA* 1 1
18 1 2 1 1 10 ILE H 1 10 ILE HN 1 1
19 1 1 1 1 9 ILE H 1 9 ILE HN 1 1
19 1 2 1 1 9 ILE HA 1 9 ILE HA 1 1
20 1 1 1 1 6 GLY QA 1 6 GLY HA* 1 1
20 1 2 1 1 9 ILE H 1 9 ILE HN 1 1
21 1 1 1 1 21 MET H 1 21 MET HN 1 1
21 1 2 1 1 21 MET HA 1 21 MET HA 1 1
22 1 1 1 1 13 MET HA 1 13 MET HA 1 1
22 1 2 1 1 16 LEU H 1 16 LEU HN 1 1
23 1 1 1 1 2 LEU H 1 2 LEU HN 1 1
23 1 2 1 1 2 LEU HA 1 2 LEU HA 1 1
24 1 1 1 1 5 SER H 1 5 SER HN 1 1
24 1 2 1 1 5 SER HA 1 5 SER HA 1 1
25 1 1 1 1 13 MET HA 1 13 MET HA 1 1
25 1 2 1 1 14 GLN H 1 14 GLN HN 1 1
26 1 1 1 1 10 ILE HA 1 10 ILE HA 1 1
26 1 2 1 1 13 MET H 1 13 MET HN 1 1
27 1 1 1 1 9 ILE HA 1 9 ILE HA 1 1
27 1 2 1 1 13 MET H 1 13 MET HN 1 1
28 1 1 1 1 10 ILE HA 1 10 ILE HA 1 1
28 1 2 1 1 14 GLN H 1 14 GLN HN 1 1
29 1 1 1 1 9 ILE HA 1 9 ILE HA 1 1
29 1 2 1 1 12 LYS H 1 12 LYS HN 1 1
30 1 1 1 1 18 ASP H 1 18 ASP HN 1 1
30 1 2 1 1 18 ASP HA 1 18 ASP HA 1 1
31 1 1 1 1 13 MET H 1 13 MET HN 1 1
31 1 2 1 1 13 MET HA 1 13 MET HA 1 1
32 1 1 1 1 4 ARG HA 1 4 ARG HA 1 1
32 1 2 1 1 5 SER H 1 5 SER HN 1 1
33 1 1 1 1 4 ARG H 1 4 ARG HN 1 1
33 1 2 1 1 4 ARG HA 1 4 ARG HA 1 1
34 1 1 1 1 17 TRP HA 1 17 TRP HA 1 1
34 1 2 1 1 20 ILE H 1 20 ILE HN 1 1
35 1 1 1 1 19 GLU HA 1 19 GLU HA 1 1
35 1 2 1 1 20 ILE H 1 20 ILE HN 1 1
36 1 1 1 1 19 GLU H 1 19 GLU HN 1 1
36 1 2 1 1 19 GLU HA 1 19 GLU HA 1 1
37 1 1 1 1 16 LEU HA 1 16 LEU HA 1 1
37 1 2 1 1 19 GLU H 1 19 GLU HN 1 1
38 1 1 1 1 20 ILE H 1 20 ILE HN 1 1
38 1 2 1 1 20 ILE HA 1 20 ILE HA 1 1
39 1 1 1 1 20 ILE HA 1 20 ILE HA 1 1
39 1 2 1 1 21 MET H 1 21 MET HN 1 1
40 1 1 1 1 6 GLY QA 1 6 GLY HA* 1 1
40 1 2 1 1 7 GLY H 1 7 GLY HN 1 1
41 1 1 1 1 12 LYS H 1 12 LYS HN 1 1
41 1 2 1 1 12 LYS HA 1 12 LYS HA 1 1
42 1 1 1 1 14 GLN H 1 14 GLN HN 1 1
42 1 2 1 1 14 GLN HA 1 14 GLN HA 1 1
43 1 1 1 1 16 LEU H 1 16 LEU HN 1 1
43 1 2 1 1 16 LEU HA 1 16 LEU HA 1 1
44 1 1 1 1 17 TRP H 1 17 TRP HN 1 1
44 1 2 1 1 17 TRP HA 1 17 TRP HA 1 1
45 1 1 1 1 17 TRP HA 1 17 TRP HA 1 1
45 1 2 1 1 18 ASP H 1 18 ASP HN 1 1
46 1 1 1 1 11 LYS HA 1 11 LYS HA 1 1
46 1 2 1 1 12 LYS H 1 12 LYS HN 1 1
47 1 1 1 1 7 GLY QA 1 7 GLY HA* 1 1
47 1 2 1 1 8 ASP H 1 8 ASP HN 1 1
48 1 1 1 1 12 LYS HA 1 12 LYS HA 1 1
48 1 2 1 1 13 MET H 1 13 MET HN 1 1
49 1 1 1 1 6 GLY QA 1 6 GLY HA* 1 1
49 1 2 1 1 10 ILE H 1 10 ILE HN 1 1
50 1 1 1 1 15 THR HB 1 15 THR HB 1 1
50 1 2 1 1 18 ASP H 1 18 ASP HN 1 1
51 1 1 1 1 14 GLN HA 1 14 GLN HA 1 1
51 1 2 1 1 18 ASP H 1 18 ASP HN 1 1
52 1 1 1 1 5 SER H 1 5 SER HN 1 1
52 1 2 1 1 5 SER QB 1 5 SER HB* 1 1
53 1 1 1 1 11 LYS HA 1 11 LYS HA 1 1
53 1 2 1 1 14 GLN H 1 14 GLN HN 1 1
54 1 1 1 1 15 THR HB 1 15 THR HB 1 1
54 1 2 1 1 16 LEU H 1 16 LEU HN 1 1
55 1 1 1 1 15 THR HB 1 15 THR HB 1 1
55 1 2 1 1 19 GLU H 1 19 GLU HN 1 1
56 1 1 1 1 15 THR H 1 15 THR HN 1 1
56 1 2 1 1 15 THR HB 1 15 THR HB 1 1
57 1 1 1 1 12 LYS HA 1 12 LYS HA 1 1
57 1 2 1 1 16 LEU H 1 16 LEU HN 1 1
58 1 1 1 1 17 TRP H 1 17 TRP HN 1 1
58 1 2 1 1 17 TRP QB 1 17 TRP HB* 1 1
59 1 1 1 1 17 TRP QB 1 17 TRP HB* 1 1
59 1 2 1 1 18 ASP H 1 18 ASP HN 1 1
60 1 1 1 1 18 ASP HB2 1 18 ASP HBS 1 1
60 1 2 1 1 19 GLU H 1 19 GLU HN 1 1
61 1 1 1 1 17 TRP QB 1 17 TRP HB* 1 1
61 1 2 1 1 17 TRP HE3 1 17 TRP HE3 1 1
62 1 1 1 1 17 TRP QB 1 17 TRP HB* 1 1
62 1 2 1 1 17 TRP HD1 1 17 TRP HD1 1 1
63 1 1 1 1 1 TYR QB 1 1 TYR HB* 1 1
63 1 2 1 1 1 TYR QD 1 1 TYR HD* 1 1
64 1 1 1 1 1 TYR QB 1 1 TYR HB* 1 1
64 1 2 1 1 1 TYR QE 1 1 TYR HE* 1 1
65 1 1 1 1 1 TYR QB 1 1 TYR HB* 1 1
65 1 2 1 1 2 LEU H 1 2 LEU HN 1 1
66 1 1 1 1 13 MET H 1 13 MET HN 1 1
66 1 2 1 1 13 MET HG2 1 13 MET HGS 1 1
67 1 1 1 1 18 ASP H 1 18 ASP HN 1 1
67 1 2 1 1 18 ASP HB2 1 18 ASP HBS 1 1
68 1 1 1 1 4 ARG QD 1 4 ARG HD* 1 1
68 1 2 1 1 4 ARG QH1 1 4 ARG HH1* 1 1
69 1 1 1 1 18 ASP H 1 18 ASP HN 1 1
69 1 2 1 1 18 ASP HB3 1 18 ASP HBR 1 1
70 1 1 1 1 18 ASP HB3 1 18 ASP HBR 1 1
70 1 2 1 1 19 GLU H 1 19 GLU HN 1 1
71 1 1 1 1 19 GLU H 1 19 GLU HN 1 1
71 1 2 1 1 19 GLU HG2 1 19 GLU HGS 1 1
72 1 1 1 1 19 GLU H 1 19 GLU HN 1 1
72 1 2 1 1 19 GLU HG3 1 19 GLU HGR 1 1
73 1 1 1 1 19 GLU H 1 19 GLU HN 1 1
73 1 2 1 1 19 GLU HB2 1 19 GLU HBR 1 1
74 1 1 1 1 13 MET H 1 13 MET HN 1 1
74 1 2 1 1 13 MET HG3 1 13 MET HGR 1 1
75 1 1 1 1 14 GLN H 1 14 GLN HN 1 1
75 1 2 1 1 14 GLN HG2 1 14 GLN HGS 1 1
76 1 1 1 1 14 GLN H 1 14 GLN HN 1 1
76 1 2 1 1 14 GLN HG3 1 14 GLN HGR 1 1
77 1 1 1 1 14 GLN H 1 14 GLN HN 1 1
77 1 2 1 1 14 GLN HB3 1 14 GLN HBS 1 1
78 1 1 1 1 14 GLN H 1 14 GLN HN 1 1
78 1 2 1 1 14 GLN HB2 1 14 GLN HBR 1 1
79 1 1 1 1 13 MET H 1 13 MET HN 1 1
79 1 2 1 1 13 MET QB 1 13 MET HB* 1 1
80 1 1 1 1 19 GLU HB3 1 19 GLU HBS 1 1
80 1 2 1 1 20 ILE H 1 20 ILE HN 1 1
81 1 1 1 1 19 GLU H 1 19 GLU HN 1 1
81 1 2 1 1 19 GLU HB3 1 19 GLU HBS 1 1
82 1 1 1 1 14 GLN HB2 1 14 GLN HBR 1 1
82 1 2 1 1 15 THR H 1 15 THR HN 1 1
83 1 1 1 1 14 GLN HB3 1 14 GLN HBS 1 1
83 1 2 1 1 15 THR H 1 15 THR HN 1 1
84 1 1 1 1 12 LYS QB 1 12 LYS HB* 1 1
84 1 2 1 1 13 MET H 1 13 MET HN 1 1
85 1 1 1 1 12 LYS H 1 12 LYS HN 1 1
85 1 2 1 1 12 LYS QB 1 12 LYS HB* 1 1
86 1 1 1 1 19 GLU HB2 1 19 GLU HBR 1 1
86 1 2 1 1 20 ILE H 1 20 ILE HN 1 1
87 1 1 1 1 9 ILE H 1 9 ILE HN 1 1
87 1 2 1 1 9 ILE HB 1 9 ILE HB 1 1
88 1 1 1 1 9 ILE HB 1 9 ILE HB 1 1
88 1 2 1 1 10 ILE H 1 10 ILE HN 1 1
89 1 1 1 1 11 LYS H 1 11 LYS HN 1 1
89 1 2 1 1 11 LYS QB 1 11 LYS HB* 1 1
90 1 1 1 1 4 ARG H 1 4 ARG HN 1 1
90 1 2 1 1 4 ARG HB3 1 4 ARG HB2 1 1
91 1 1 1 1 16 LEU QB 1 16 LEU HB* 1 1
91 1 2 1 1 17 TRP H 1 17 TRP HN 1 1
92 1 1 1 1 16 LEU QB 1 16 LEU HB* 1 1
92 1 2 1 1 18 ASP H 1 18 ASP HN 1 1
93 1 1 1 1 20 ILE H 1 20 ILE HN 1 1
93 1 2 1 1 20 ILE HG12 1 20 ILE HG1R 1 1
94 1 1 1 1 21 MET H 1 21 MET HN 1 1
94 1 2 1 1 21 MET HB2 1 21 MET HBS 1 1
95 1 1 1 1 21 MET H 1 21 MET HN 1 1
95 1 2 1 1 21 MET HG3 1 21 MET HGR 1 1
96 1 1 1 1 21 MET H 1 21 MET HN 1 1
96 1 2 1 1 21 MET HG2 1 21 MET HGS 1 1
97 1 1 1 1 4 ARG H 1 4 ARG HN 1 1
97 1 2 1 1 4 ARG QG 1 4 ARG HG* 1 1
98 1 1 1 1 9 ILE H 1 9 ILE HN 1 1
98 1 2 1 1 9 ILE HG12 1 9 ILE HG1R 1 1
99 1 1 1 1 2 LEU H 1 2 LEU HN 1 1
99 1 2 1 1 2 LEU QB 1 2 LEU HB* 1 1
100 1 1 1 1 16 LEU H 1 16 LEU HN 1 1
100 1 2 1 1 16 LEU QB 1 16 LEU HB* 1 1
101 1 1 1 1 16 LEU H 1 16 LEU HN 1 1
101 1 2 1 1 16 LEU HG 1 16 LEU HG 1 1
102 1 1 1 1 20 ILE H 1 20 ILE HN 1 1
102 1 2 1 1 20 ILE HB 1 20 ILE HB 1 1
103 1 1 1 1 4 ARG HB3 1 4 ARG HB2 1 1
103 1 2 1 1 5 SER H 1 5 SER HN 1 1
104 1 1 1 1 21 MET H 1 21 MET HN 1 1
104 1 2 1 1 21 MET HB3 1 21 MET HBR 1 1
105 1 1 1 1 10 ILE H 1 10 ILE HN 1 1
105 1 2 1 1 10 ILE HG12 1 10 ILE HG1R 1 1
106 1 1 1 1 16 LEU QB 1 16 LEU HB* 1 1
106 1 2 1 1 17 TRP HZ2 1 17 TRP HZ2 1 1
107 1 1 1 1 16 LEU QB 1 16 LEU HB* 1 1
107 1 2 1 1 17 TRP HD1 1 17 TRP HD1 1 1
108 1 1 1 1 10 ILE H 1 10 ILE HN 1 1
108 1 2 1 1 10 ILE MD 1 10 ILE HD1* 1 1
109 1 1 1 1 10 ILE H 1 10 ILE HN 1 1
109 1 2 1 1 10 ILE MG 1 10 ILE HG2* 1 1
110 1 1 1 1 9 ILE MG 1 9 ILE HG2* 1 1
110 1 2 1 1 10 ILE H 1 10 ILE HN 1 1
111 1 1 1 1 9 ILE H 1 9 ILE HN 1 1
111 1 2 1 1 9 ILE MD 1 9 ILE HD1* 1 1
112 1 1 1 1 9 ILE H 1 9 ILE HN 1 1
112 1 2 1 1 9 ILE MG 1 9 ILE HG2* 1 1
113 1 1 1 1 16 LEU H 1 16 LEU HN 1 1
113 1 2 1 1 16 LEU MD2 1 16 LEU HDS* 1 1
114 1 1 1 1 16 LEU H 1 16 LEU HN 1 1
114 1 2 1 1 16 LEU MD1 1 16 LEU HDR* 1 1
115 1 1 1 1 20 ILE H 1 20 ILE HN 1 1
115 1 2 1 1 20 ILE MD 1 20 ILE HD1* 1 1
116 1 1 1 1 20 ILE H 1 20 ILE HN 1 1
116 1 2 1 1 20 ILE MG 1 20 ILE HG2* 1 1
117 1 1 1 1 20 ILE MG 1 20 ILE HG2* 1 1
117 1 2 1 1 21 MET H 1 21 MET HN 1 1
118 1 1 1 1 20 ILE H 1 20 ILE HN 1 1
118 1 2 1 1 20 ILE HG13 1 20 ILE HG1S 1 1
119 1 1 1 1 15 THR H 1 15 THR HN 1 1
119 1 2 1 1 15 THR MG 1 15 THR HG2* 1 1
120 1 1 1 1 15 THR MG 1 15 THR HG2* 1 1
120 1 2 1 1 16 LEU H 1 16 LEU HN 1 1
121 1 1 1 1 9 ILE H 1 9 ILE HN 1 1
121 1 2 1 1 9 ILE HG13 1 9 ILE HG1S 1 1
122 1 1 1 1 10 ILE H 1 10 ILE HN 1 1
122 1 2 1 1 10 ILE HG13 1 10 ILE HG1S 1 1
123 1 1 1 1 2 LEU H 1 2 LEU HN 1 1
123 1 2 1 1 2 LEU MD2 1 2 LEU HDS* 1 1
124 1 1 1 1 2 LEU H 1 2 LEU HN 1 1
124 1 2 1 1 2 LEU MD1 1 2 LEU HDR* 1 1
125 1 1 1 1 16 LEU QB 1 16 LEU HB* 1 1
125 1 2 1 1 17 TRP HE1 1 17 TRP HE1 1 1
126 1 1 1 1 17 TRP H 1 17 TRP HN 1 1
126 1 2 1 1 17 TRP HD1 1 17 TRP HD1 1 1
127 1 1 1 1 17 TRP HD1 1 17 TRP HD1 1 1
127 1 2 1 1 18 ASP H 1 18 ASP HN 1 1
128 1 1 1 1 17 TRP H 1 17 TRP HN 1 1
128 1 2 1 1 17 TRP HE3 1 17 TRP HE3 1 1
129 1 1 1 1 17 TRP HE3 1 17 TRP HE3 1 1
129 1 2 1 1 18 ASP H 1 18 ASP HN 1 1
130 1 1 1 1 3 GLY H 1 3 GLY HN 1 1
130 1 2 1 1 4 ARG H 1 4 ARG HN 1 1
131 1 1 1 1 2 LEU H 1 2 LEU HN 1 1
131 1 2 1 1 3 GLY H 1 3 GLY HN 1 1
132 1 1 1 1 11 LYS H 1 11 LYS HN 1 1
132 1 2 1 1 12 LYS H 1 12 LYS HN 1 1
133 1 1 1 1 9 ILE H 1 9 ILE HN 1 1
133 1 2 1 1 10 ILE H 1 10 ILE HN 1 1
134 1 1 1 1 8 ASP H 1 8 ASP HN 1 1
134 1 2 1 1 10 ILE H 1 10 ILE HN 1 1
135 1 1 1 1 8 ASP H 1 8 ASP HN 1 1
135 1 2 1 1 9 ILE H 1 9 ILE HN 1 1
136 1 1 1 1 7 GLY H 1 7 GLY HN 1 1
136 1 2 1 1 8 ASP H 1 8 ASP HN 1 1
137 1 1 1 1 7 GLY H 1 7 GLY HN 1 1
137 1 2 1 1 9 ILE H 1 9 ILE HN 1 1
138 1 1 1 1 12 LYS H 1 12 LYS HN 1 1
138 1 2 1 1 13 MET H 1 13 MET HN 1 1
139 1 1 1 1 14 GLN H 1 14 GLN HN 1 1
139 1 2 1 1 15 THR H 1 15 THR HN 1 1
140 1 1 1 1 16 LEU H 1 16 LEU HN 1 1
140 1 2 1 1 17 TRP H 1 17 TRP HN 1 1
141 1 1 1 1 16 LEU H 1 16 LEU HN 1 1
141 1 2 1 1 18 ASP H 1 18 ASP HN 1 1
142 1 1 1 1 18 ASP H 1 18 ASP HN 1 1
142 1 2 1 1 19 GLU H 1 19 GLU HN 1 1
143 1 1 1 1 4 ARG H 1 4 ARG HN 1 1
143 1 2 1 1 5 SER H 1 5 SER HN 1 1
144 1 1 1 1 19 GLU H 1 19 GLU HN 1 1
144 1 2 1 1 20 ILE H 1 20 ILE HN 1 1
145 1 1 1 1 5 SER H 1 5 SER HN 1 1
145 1 2 1 1 6 GLY H 1 6 GLY HN 1 1
146 1 1 1 1 13 MET H 1 13 MET HN 1 1
146 1 2 1 1 14 GLN H 1 14 GLN HN 1 1
147 1 1 1 1 17 TRP H 1 17 TRP HN 1 1
147 1 2 1 1 18 ASP H 1 18 ASP HN 1 1
148 1 1 1 1 18 ASP H 1 18 ASP HN 1 1
148 1 2 1 1 20 ILE H 1 20 ILE HN 1 1
149 1 1 1 1 17 TRP H 1 17 TRP HN 1 1
149 1 2 1 1 19 GLU H 1 19 GLU HN 1 1
150 1 1 1 1 11 LYS H 1 11 LYS HN 1 1
150 1 2 1 1 13 MET H 1 13 MET HN 1 1
151 1 1 1 1 15 THR HA 1 15 THR HA 1 1
151 1 2 1 1 15 THR HB 1 15 THR HB 1 1
152 1 1 1 1 18 ASP HA 1 18 ASP HA 1 1
152 1 2 1 1 18 ASP HB2 1 18 ASP HBS 1 1
153 1 1 1 1 14 GLN HA 1 14 GLN HA 1 1
153 1 2 1 1 17 TRP QB 1 17 TRP HB* 1 1
154 1 1 1 1 15 THR HB 1 15 THR HB 1 1
154 1 2 1 1 18 ASP HB2 1 18 ASP HBS 1 1
155 1 1 1 1 15 THR HB 1 15 THR HB 1 1
155 1 2 1 1 18 ASP HB3 1 18 ASP HBR 1 1
156 1 1 1 1 18 ASP HA 1 18 ASP HA 1 1
156 1 2 1 1 18 ASP HB3 1 18 ASP HBR 1 1
157 1 1 1 1 8 ASP HA 1 8 ASP HA 1 1
157 1 2 1 1 11 LYS QB 1 11 LYS HB* 1 1
158 1 1 1 1 11 LYS HA 1 11 LYS HA 1 1
158 1 2 1 1 14 GLN HB2 1 14 GLN HBR 1 1
159 1 1 1 1 11 LYS HA 1 11 LYS HA 1 1
159 1 2 1 1 14 GLN HB3 1 14 GLN HBS 1 1
160 1 1 1 1 10 ILE HA 1 10 ILE HA 1 1
160 1 2 1 1 13 MET QB 1 13 MET HB* 1 1
161 1 1 1 1 6 GLY QA 1 6 GLY HA* 1 1
161 1 2 1 1 9 ILE HB 1 9 ILE HB 1 1
162 1 1 1 1 7 GLY QA 1 7 GLY HA* 1 1
162 1 2 1 1 10 ILE HB 1 10 ILE HB 1 1
163 1 1 1 1 15 THR HA 1 15 THR HA 1 1
163 1 2 1 1 15 THR MG 1 15 THR HG2* 1 1
164 1 1 1 1 12 LYS HA 1 12 LYS HA 1 1
164 1 2 1 1 15 THR H 1 15 THR HN 1 1
165 1 1 1 1 14 GLN HA 1 14 GLN HA 1 1
165 1 2 1 1 17 TRP H 1 17 TRP HN 1 1
166 1 1 1 1 7 GLY QA 1 7 GLY HA* 1 1
166 1 2 1 1 11 LYS H 1 11 LYS HN 1 1
167 1 1 1 1 11 LYS HA 1 11 LYS HA 1 1
167 1 2 1 1 15 THR H 1 15 THR HN 1 1
168 1 1 1 1 13 MET HA 1 13 MET HA 1 1
168 1 2 1 1 17 TRP H 1 17 TRP HN 1 1
169 1 1 1 1 15 THR HA 1 15 THR HA 1 1
169 1 2 1 1 19 GLU H 1 19 GLU HN 1 1
170 1 1 1 1 16 LEU HA 1 16 LEU HA 1 1
170 1 2 1 1 20 ILE H 1 20 ILE HN 1 1
171 1 1 1 1 14 GLN HA 1 14 GLN HA 1 1
171 1 2 1 1 16 LEU H 1 16 LEU HN 1 1
172 1 1 1 1 10 ILE HA 1 10 ILE HA 1 1
172 1 2 1 1 11 LYS H 1 11 LYS HN 1 1
173 1 1 1 1 14 GLN HA 1 14 GLN HA 1 1
173 1 2 1 1 15 THR H 1 15 THR HN 1 1
174 1 1 1 1 16 LEU HA 1 16 LEU HA 1 1
174 1 2 1 1 17 TRP H 1 17 TRP HN 1 1
175 1 1 1 1 18 ASP HA 1 18 ASP HA 1 1
175 1 2 1 1 19 GLU H 1 19 GLU HN 1 1
176 1 1 1 1 5 SER QB 1 5 SER HB* 1 1
176 1 2 1 1 6 GLY H 1 6 GLY HN 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 . . . . . 3.5 2.8 3.5 1 1
4 1 . . . . . 5.0 3.5 5.0 1 1
5 1 . . . . . 3.5 2.8 3.5 1 1
6 1 . . . . . 3.5 2.8 3.5 1 1
7 1 . . . . . 5.0 3.5 5.0 1 1
8 1 . . . . . 3.5 2.8 5.5 1 1
9 1 . . . . . 3.5 2.8 3.5 1 1
10 1 . . . . . 5.0 3.5 5.0 1 1
11 1 . . . . . 5.0 3.5 5.0 1 1
12 1 . . . . . 2.8 1.8 2.8 1 1
13 1 . . . . . 3.5 2.8 3.5 1 1
14 1 . . . . . 3.5 2.8 3.5 1 1
15 1 . . . . . 2.8 1.8 2.8 1 1
16 1 . . . . . 2.8 1.8 2.8 1 1
17 1 . . . . . 5.0 3.5 5.0 1 1
18 1 . . . . . 5.0 3.5 6.0 1 1
19 1 . . . . . 3.5 2.8 3.5 1 1
20 1 . . . . . 5.0 3.5 6.0 1 1
21 1 . . . . . 3.5 2.8 3.5 1 1
22 1 . . . . . 3.5 2.8 3.5 1 1
23 1 . . . . . 2.8 1.8 2.8 1 1
24 1 . . . . . 2.8 1.8 2.8 1 1
25 1 . . . . . 3.5 2.8 3.5 1 1
26 1 . . . . . 5.0 3.5 5.0 1 1
27 1 . . . . . 5.0 3.5 5.0 1 1
28 1 . . . . . 5.0 3.5 5.0 1 1
29 1 . . . . . 3.5 2.8 3.5 1 1
30 1 . . . . . 2.8 1.8 2.8 1 1
31 1 . . . . . 3.5 2.8 3.5 1 1
32 1 . . . . . 2.8 1.8 2.8 1 1
33 1 . . . . . 2.8 1.8 2.8 1 1
34 1 . . . . . 3.5 2.8 3.5 1 1
35 1 . . . . . 3.5 2.8 3.5 1 1
36 1 . . . . . 3.5 2.8 3.5 1 1
37 1 . . . . . 5.0 3.5 5.0 1 1
38 1 . . . . . 3.5 2.8 3.5 1 1
39 1 . . . . . 5.0 3.5 5.0 1 1
40 1 . . . . . 2.8 1.8 3.8 1 1
41 1 . . . . . 2.8 1.8 2.8 1 1
42 1 . . . . . 2.8 1.8 2.8 1 1
43 1 . . . . . 2.8 1.8 2.8 1 1
44 1 . . . . . 3.5 2.8 3.5 1 1
45 1 . . . . . 3.5 2.8 3.5 1 1
46 1 . . . . . 3.5 2.8 3.5 1 1
47 1 . . . . . 2.8 1.8 3.8 1 1
48 1 . . . . . 3.5 2.8 3.5 1 1
49 1 . . . . . 5.0 3.5 6.0 1 1
50 1 . . . . . 5.0 3.5 5.0 1 1
51 1 . . . . . 5.0 3.5 5.0 1 1
52 1 . . . . . 3.5 2.8 4.5 1 1
53 1 . . . . . 5.0 3.5 5.0 1 1
54 1 . . . . . 5.0 3.5 5.0 1 1
55 1 . . . . . 5.0 3.5 5.0 1 1
56 1 . . . . . 2.8 1.8 2.8 1 1
57 1 . . . . . 5.0 3.5 5.0 1 1
58 1 . . . . . 2.8 1.8 3.8 1 1
59 1 . . . . . 5.0 3.5 6.0 1 1
60 1 . . . . . 5.0 3.5 5.0 1 1
61 1 . . . . . 2.8 1.8 3.8 1 1
62 1 . . . . . 2.8 1.8 3.8 1 1
63 1 . . . . . 2.8 1.8 5.8 1 1
64 1 . . . . . 5.0 3.5 8.0 1 1
65 1 . . . . . 3.5 2.8 4.5 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 5.5 1 1
69 1 . . . . . 3.5 2.8 3.5 1 1
70 1 . . . . . 2.8 1.8 2.8 1 1
71 1 . . . . . 3.5 2.8 3.5 1 1
72 1 . . . . . 3.5 2.8 3.5 1 1
73 1 . . . . . 2.8 1.8 2.8 1 1
74 1 . . . . . 3.5 2.8 3.5 1 1
75 1 . . . . . 3.5 2.8 3.5 1 1
76 1 . . . . . 5.0 3.5 5.0 1 1
77 1 . . . . . 5.0 3.5 5.0 1 1
78 1 . . . . . 2.8 1.8 2.8 1 1
79 1 . . . . . 3.5 2.8 4.5 1 1
80 1 . . . . . 5.0 3.5 5.0 1 1
81 1 . . . . . 5.0 3.5 5.0 1 1
82 1 . . . . . 2.8 1.8 2.8 1 1
83 1 . . . . . 2.8 1.8 2.8 1 1
84 1 . . . . . 2.8 1.8 3.8 1 1
85 1 . . . . . 2.8 1.8 3.8 1 1
86 1 . . . . . 3.5 2.8 3.5 1 1
87 1 . . . . . 2.8 1.8 2.8 1 1
88 1 . . . . . 2.8 1.8 2.8 1 1
89 1 . . . . . 2.8 1.8 3.8 1 1
90 1 . . . . . 3.5 2.8 3.5 1 1
91 1 . . . . . 2.8 1.8 3.8 1 1
92 1 . . . . . 5.0 3.5 6.0 1 1
93 1 . . . . . 5.0 3.5 5.0 1 1
94 1 . . . . . 2.8 1.8 2.8 1 1
95 1 . . . . . 3.5 2.8 3.5 1 1
96 1 . . . . . 5.0 3.5 5.0 1 1
97 1 . . . . . 5.0 3.5 6.0 1 1
98 1 . . . . . 2.8 1.8 2.8 1 1
99 1 . . . . . 2.8 1.8 3.8 1 1
100 1 . . . . . 2.8 1.8 3.8 1 1
101 1 . . . . . 3.5 2.8 3.5 1 1
102 1 . . . . . 2.8 1.8 2.8 1 1
103 1 . . . . . 5.0 3.5 5.0 1 1
104 1 . . . . . 5.0 3.5 5.0 1 1
105 1 . . . . . 5.0 3.5 5.0 1 1
106 1 . . . . . 5.0 3.5 6.0 1 1
107 1 . . . . . 2.8 1.8 3.8 1 1
108 1 . . . . . 3.5 2.8 4.5 1 1
109 1 . . . . . 3.5 2.8 4.5 1 1
110 1 . . . . . 3.5 2.8 4.5 1 1
111 1 . . . . . 5.0 3.5 6.0 1 1
112 1 . . . . . 5.0 3.5 6.0 1 1
113 1 . . . . . 5.0 3.5 6.0 1 1
114 1 . . . . . 5.0 3.5 6.0 1 1
115 1 . . . . . 3.5 2.8 4.5 1 1
116 1 . . . . . 3.5 2.8 4.5 1 1
117 1 . . . . . 3.5 2.8 4.5 1 1
118 1 . . . . . 2.8 1.8 2.8 1 1
119 1 . . . . . 3.5 2.8 4.5 1 1
120 1 . . . . . 5.0 3.5 6.0 1 1
121 1 . . . . . 5.0 3.5 5.0 1 1
122 1 . . . . . 3.5 2.8 3.5 1 1
123 1 . . . . . 5.0 3.5 6.0 1 1
124 1 . . . . . 5.0 3.5 6.0 1 1
125 1 . . . . . 5.0 3.5 6.0 1 1
126 1 . . . . . 2.8 1.8 2.8 1 1
127 1 . . . . . 5.0 3.5 5.0 1 1
128 1 . . . . . 5.0 3.5 5.0 1 1
129 1 . . . . . 3.5 2.8 3.5 1 1
130 1 . . . . . 3.5 2.8 3.5 1 1
131 1 . . . . . 3.5 2.8 3.5 1 1
132 1 . . . . . 2.8 1.8 2.8 1 1
133 1 . . . . . 2.8 1.8 2.8 1 1
134 1 . . . . . 5.0 3.5 5.0 1 1
135 1 . . . . . 2.8 1.8 2.8 1 1
136 1 . . . . . 2.8 1.8 2.8 1 1
137 1 . . . . . 5.0 3.5 5.0 1 1
138 1 . . . . . 2.8 1.8 2.8 1 1
139 1 . . . . . 3.5 2.8 3.5 1 1
140 1 . . . . . 3.5 2.8 3.5 1 1
141 1 . . . . . 5.0 3.5 5.0 1 1
142 1 . . . . . 3.5 2.8 3.5 1 1
143 1 . . . . . 3.5 2.8 3.5 1 1
144 1 . . . . . 3.5 2.8 3.5 1 1
145 1 . . . . . 3.5 2.8 3.5 1 1
146 1 . . . . . 3.5 2.8 3.5 1 1
147 1 . . . . . 2.8 1.8 2.8 1 1
148 1 . . . . . 5.0 3.5 5.0 1 1
149 1 . . . . . 5.0 3.5 5.0 1 1
150 1 . . . . . 5.0 3.5 5.0 1 1
151 1 . . . . . 2.8 1.8 2.8 1 1
152 1 . . . . . 2.8 1.8 2.8 1 1
153 1 . . . . . 5.0 3.5 6.0 1 1
154 1 . . . . . 5.0 3.5 5.0 1 1
155 1 . . . . . 5.0 3.5 5.0 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 . . . . . 5.0 3.5 5.0 1 1
160 1 . . . . . 3.5 2.8 4.5 1 1
161 1 . . . . . 5.0 3.5 6.0 1 1
162 1 . . . . . 5.0 3.5 6.0 1 1
163 1 . . . . . 2.8 1.8 3.8 1 1
164 1 . . . . . 5.0 3.5 5.0 1 1
165 1 . . . . . 5.0 3.5 5.0 1 1
166 1 . . . . . 5.0 3.5 6.0 1 1
167 1 . . . . . 5.0 3.5 5.0 1 1
168 1 . . . . . 5.0 3.5 5.0 1 1
169 1 . . . . . 3.5 2.8 3.5 1 1
170 1 . . . . . 5.0 3.5 5.0 1 1
171 1 . . . . . 5.0 3.5 5.0 1 1
172 1 . . . . . 3.5 2.8 3.5 1 1
173 1 . . . . . 3.5 2.8 3.5 1 1
174 1 . . . . . 3.5 2.8 3.5 1 1
175 1 . . . . . 3.5 2.8 3.5 1 1
176 1 . . . . . 3.5 2.8 4.5 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
3 1 . . . 1 2
4 1 . . . 1 2
5 1 . . . 1 2
6 1 . . . 1 2
7 1 . . . 1 2
8 1 . . . 1 2
9 1 . . . 1 2
10 1 . . . 1 2
11 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 17 TRP O 1 17 TRP O 1 2
1 1 2 1 1 21 MET H 1 21 MET HN 1 2
2 1 1 1 1 16 LEU O 1 16 LEU O 1 2
2 1 2 1 1 20 ILE H 1 20 ILE HN 1 2
3 1 1 1 1 5 SER O 1 5 SER O 1 2
3 1 2 1 1 9 ILE H 1 9 ILE HN 1 2
4 1 1 1 1 7 GLY O 1 7 GLY O 1 2
4 1 2 1 1 11 LYS H 1 11 LYS HN 1 2
5 1 1 1 1 8 ASP O 1 8 ASP O 1 2
5 1 2 1 1 12 LYS H 1 12 LYS HN 1 2
6 1 1 1 1 15 THR O 1 15 THR O 1 2
6 1 2 1 1 19 GLU H 1 19 GLU HN 1 2
7 1 1 1 1 11 LYS O 1 11 LYS O 1 2
7 1 2 1 1 15 THR H 1 15 THR HN 1 2
8 1 1 1 1 14 GLN O 1 14 GLN O 1 2
8 1 2 1 1 18 ASP H 1 18 ASP HN 1 2
9 1 1 1 1 12 LYS O 1 12 LYS O 1 2
9 1 2 1 1 16 LEU H 1 16 LEU HN 1 2
10 1 1 1 1 10 ILE O 1 10 ILE O 1 2
10 1 2 1 1 14 GLN H 1 14 GLN HN 1 2
11 1 1 1 1 13 MET O 1 13 MET O 1 2
11 1 2 1 1 17 TRP H 1 17 TRP 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
3 1 . . . . . . 1.8 2.5 1 2
4 1 . . . . . . 1.8 2.5 1 2
5 1 . . . . . . 1.8 2.5 1 2
6 1 . . . . . . 1.8 2.5 1 2
7 1 . . . . . . 1.8 2.5 1 2
8 1 . . . . . . 1.8 2.5 1 2
9 1 . . . . . . 1.8 2.5 1 2
10 1 . . . . . . 1.8 2.5 1 2
11 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 1 TYR CA 1 1 1 TYR C 1 1 2 LEU N 1 1 2 LEU CA 178.0 179.99998 1 1 TYR CA 1 1 TYR C 1 2 LEU N 1 2 LEU CA 1 1
2 . 1 1 2 LEU CA 1 1 2 LEU C 1 1 3 GLY N 1 1 3 GLY CA 178.0 179.99998 1 2 LEU CA 1 2 LEU C 1 3 GLY N 1 3 GLY CA 1 1
3 . 1 1 3 GLY CA 1 1 3 GLY C 1 1 4 ARG N 1 1 4 ARG CA 178.0 179.99998 1 3 GLY CA 1 3 GLY C 1 4 ARG N 1 4 ARG CA 1 1
4 . 1 1 4 ARG CA 1 1 4 ARG C 1 1 5 SER N 1 1 5 SER CA 178.0 179.99998 1 4 ARG CA 1 4 ARG C 1 5 SER N 1 5 SER CA 1 1
5 . 1 1 5 SER CA 1 1 5 SER C 1 1 6 GLY N 1 1 6 GLY CA 178.0 179.99998 1 5 SER CA 1 5 SER C 1 6 GLY N 1 6 GLY CA 1 1
6 . 1 1 6 GLY CA 1 1 6 GLY C 1 1 7 GLY N 1 1 7 GLY CA 178.0 179.99998 1 6 GLY CA 1 6 GLY C 1 7 GLY N 1 7 GLY CA 1 1
7 . 1 1 7 GLY CA 1 1 7 GLY C 1 1 8 ASP N 1 1 8 ASP CA 178.0 179.99998 1 7 GLY CA 1 7 GLY C 1 8 ASP N 1 8 ASP CA 1 1
8 . 1 1 8 ASP CA 1 1 8 ASP C 1 1 9 ILE N 1 1 9 ILE CA 178.0 179.99998 1 8 ASP CA 1 8 ASP C 1 9 ILE N 1 9 ILE CA 1 1
9 . 1 1 9 ILE CA 1 1 9 ILE C 1 1 10 ILE N 1 1 10 ILE CA 178.0 179.99998 1 9 ILE CA 1 9 ILE C 1 10 ILE N 1 10 ILE CA 1 1
10 . 1 1 10 ILE CA 1 1 10 ILE C 1 1 11 LYS N 1 1 11 LYS CA 178.0 179.99998 1 10 ILE CA 1 10 ILE C 1 11 LYS N 1 11 LYS CA 1 1
11 . 1 1 11 LYS CA 1 1 11 LYS C 1 1 12 LYS N 1 1 12 LYS CA 178.0 179.99998 1 11 LYS CA 1 11 LYS C 1 12 LYS N 1 12 LYS CA 1 1
12 . 1 1 12 LYS CA 1 1 12 LYS C 1 1 13 MET N 1 1 13 MET CA 178.0 179.99998 1 12 LYS CA 1 12 LYS C 1 13 MET N 1 13 MET CA 1 1
13 . 1 1 13 MET CA 1 1 13 MET C 1 1 14 GLN N 1 1 14 GLN CA 178.0 179.99998 1 13 MET CA 1 13 MET C 1 14 GLN N 1 14 GLN CA 1 1
14 . 1 1 14 GLN CA 1 1 14 GLN C 1 1 15 THR N 1 1 15 THR CA 178.0 179.99998 1 14 GLN CA 1 14 GLN 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 LEU N 1 1 16 LEU CA 178.0 179.99998 1 15 THR CA 1 15 THR C 1 16 LEU N 1 16 LEU CA 1 1
16 . 1 1 16 LEU CA 1 1 16 LEU C 1 1 17 TRP N 1 1 17 TRP CA 178.0 179.99998 1 16 LEU CA 1 16 LEU C 1 17 TRP N 1 17 TRP CA 1 1
17 . 1 1 17 TRP CA 1 1 17 TRP C 1 1 18 ASP N 1 1 18 ASP CA 178.0 179.99998 1 17 TRP CA 1 17 TRP C 1 18 ASP N 1 18 ASP CA 1 1
18 . 1 1 18 ASP CA 1 1 18 ASP C 1 1 19 GLU N 1 1 19 GLU CA 178.0 179.99998 1 18 ASP CA 1 18 ASP C 1 19 GLU N 1 19 GLU CA 1 1
19 . 1 1 19 GLU CA 1 1 19 GLU C 1 1 20 ILE N 1 1 20 ILE CA 178.0 179.99998 1 19 GLU CA 1 19 GLU C 1 20 ILE N 1 20 ILE CA 1 1
20 . 1 1 20 ILE CA 1 1 20 ILE C 1 1 21 MET N 1 1 21 MET CA 178.0 179.99998 1 20 ILE CA 1 20 ILE C 1 21 MET N 1 21 MET CA 1 1
stop_
save_
save_Discover_dihedral_7
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID 1
_Torsion_angle_constraint_list.ID 2
_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 14 GLN H 1 1 14 GLN N 1 1 14 GLN CA 1 1 14 GLN HA -100.0 -40.0 1 14 GLN HN 1 14 GLN N 1 14 GLN CA 1 14 GLN HA 1 2
2 . 1 1 18 ASP H 1 1 18 ASP N 1 1 18 ASP CA 1 1 18 ASP HA -100.0 -40.0 1 18 ASP HN 1 18 ASP N 1 18 ASP CA 1 18 ASP HA 1 2
3 . 1 1 10 ILE H 1 1 10 ILE N 1 1 10 ILE CA 1 1 10 ILE HA -100.0 -40.0 1 10 ILE HN 1 10 ILE N 1 10 ILE CA 1 10 ILE HA 1 2
4 . 1 1 16 LEU H 1 1 16 LEU N 1 1 16 LEU CA 1 1 16 LEU HA -100.0 -40.0 1 16 LEU HN 1 16 LEU N 1 16 LEU CA 1 16 LEU HA 1 2
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 TYR C C -14.364 0.478 -2.231 1.00 . A A . 1 TYR C 1 1
1 2 1 1 1 TYR CA C -14.162 2.015 -2.137 1.00 . A A . 1 TYR CA 1 1
1 3 1 1 1 TYR CB C -14.141 2.659 -3.555 1.00 . A A . 1 TYR CB 1 1
1 4 1 1 1 TYR CD1 C -15.478 4.834 -3.492 1.00 . A A . 1 TYR CD1 1 1
1 5 1 1 1 TYR CD2 C -13.077 4.976 -3.715 1.00 . A A . 1 TYR CD2 1 1
1 6 1 1 1 TYR CE1 C -15.561 6.225 -3.520 1.00 . A A . 1 TYR CE1 1 1
1 7 1 1 1 TYR CE2 C -13.162 6.366 -3.741 1.00 . A A . 1 TYR CE2 1 1
1 8 1 1 1 TYR CG C -14.234 4.198 -3.586 1.00 . A A . 1 TYR CG 1 1
1 9 1 1 1 TYR CZ C -14.404 6.990 -3.644 1.00 . A A . 1 TYR CZ 1 1
1 10 1 1 1 TYR H1 H -11.993 2.347 -1.885 1.00 . A A . 1 TYR H1 1 1
1 11 1 1 1 TYR HA H -15.020 2.474 -1.605 1.00 . A A . 1 TYR HA 1 1
1 12 1 1 1 TYR HB2 H -13.246 2.317 -4.113 1.00 . A A . 1 TYR HB2 1 1
1 13 1 1 1 TYR HB3 H -14.986 2.256 -4.146 1.00 . A A . 1 TYR HB3 1 1
1 14 1 1 1 TYR HD1 H -16.387 4.255 -3.398 1.00 . A A . 1 TYR HD1 1 1
1 15 1 1 1 TYR HD2 H -12.107 4.507 -3.793 1.00 . A A . 1 TYR HD2 1 1
1 16 1 1 1 TYR HE1 H -16.526 6.706 -3.446 1.00 . A A . 1 TYR HE1 1 1
1 17 1 1 1 TYR HE2 H -12.263 6.957 -3.839 1.00 . A A . 1 TYR HE2 1 1
1 18 1 1 1 TYR HH H -13.604 8.725 -3.763 1.00 . A A . 1 TYR HH 1 1
1 19 1 1 1 TYR N N -12.896 2.302 -1.400 1.00 . A A . 1 TYR N 1 1
1 20 1 1 1 TYR O O -13.565 -0.229 -2.853 1.00 . A A . 1 TYR O 1 1
1 21 1 1 1 TYR OH O -14.487 8.360 -3.672 1.00 . A A . 1 TYR OH 1 1
1 22 1 1 2 LEU C C -14.801 -2.270 -0.721 1.00 . A A . 2 LEU C 1 1
1 23 1 1 2 LEU CA C -15.834 -1.466 -1.570 1.00 . A A . 2 LEU CA 1 1
1 24 1 1 2 LEU CB C -16.138 -2.055 -2.989 1.00 . A A . 2 LEU CB 1 1
1 25 1 1 2 LEU CD1 C -16.304 -4.617 -2.570 1.00 . A A . 2 LEU CD1 1 1
1 26 1 1 2 LEU CD2 C -18.414 -3.209 -2.539 1.00 . A A . 2 LEU CD2 1 1
1 27 1 1 2 LEU CG C -16.992 -3.351 -3.119 1.00 . A A . 2 LEU CG 1 1
1 28 1 1 2 LEU H H -16.026 0.689 -1.134 1.00 . A A . 2 LEU H 1 1
1 29 1 1 2 LEU HA H -16.799 -1.482 -1.030 1.00 . A A . 2 LEU HA 1 1
1 30 1 1 2 LEU HB2 H -16.661 -1.279 -3.581 1.00 . A A . 2 LEU HB2 1 1
1 31 1 1 2 LEU HB3 H -15.188 -2.204 -3.537 1.00 . A A . 2 LEU HB3 1 1
1 32 1 1 2 LEU HD11 H -16.208 -4.598 -1.469 1.00 . A A . 2 LEU HD11 1 1
1 33 1 1 2 LEU HD12 H -16.871 -5.531 -2.829 1.00 . A A . 2 LEU HD12 1 1
1 34 1 1 2 LEU HD13 H -15.289 -4.742 -2.988 1.00 . A A . 2 LEU HD13 1 1
1 35 1 1 2 LEU HD21 H -18.409 -3.101 -1.438 1.00 . A A . 2 LEU HD21 1 1
1 36 1 1 2 LEU HD22 H -18.937 -2.328 -2.954 1.00 . A A . 2 LEU HD22 1 1
1 37 1 1 2 LEU HD23 H -19.039 -4.091 -2.774 1.00 . A A . 2 LEU HD23 1 1
1 38 1 1 2 LEU HG H -17.117 -3.520 -4.205 1.00 . A A . 2 LEU HG 1 1
1 39 1 1 2 LEU N N -15.454 -0.020 -1.606 1.00 . A A . 2 LEU N 1 1
1 40 1 1 2 LEU O O -13.833 -2.819 -1.258 1.00 . A A . 2 LEU O 1 1
1 41 1 1 3 GLY C C -12.664 -2.486 1.647 1.00 . A A . 3 GLY C 1 1
1 42 1 1 3 GLY CA C -14.112 -3.028 1.556 1.00 . A A . 3 GLY CA 1 1
1 43 1 1 3 GLY H H -15.911 -1.853 0.851 1.00 . A A . 3 GLY H 1 1
1 44 1 1 3 GLY HA2 H -14.504 -3.099 2.597 1.00 . A A . 3 GLY HA2 1 1
1 45 1 1 3 GLY HA3 H -14.094 -4.077 1.221 1.00 . A A . 3 GLY HA3 1 1
1 46 1 1 3 GLY N N -15.016 -2.300 0.609 1.00 . A A . 3 GLY N 1 1
1 47 1 1 3 GLY O O -11.721 -3.237 1.388 1.00 . A A . 3 GLY O 1 1
1 48 1 1 4 ARG C C -10.164 -0.674 0.997 1.00 . A A . 4 ARG C 1 1
1 49 1 1 4 ARG CA C -11.199 -0.497 2.162 1.00 . A A . 4 ARG CA 1 1
1 50 1 1 4 ARG CB C -10.608 -0.702 3.589 1.00 . A A . 4 ARG CB 1 1
1 51 1 1 4 ARG CD C -9.491 -2.180 5.381 1.00 . A A . 4 ARG CD 1 1
1 52 1 1 4 ARG CG C -10.205 -2.135 4.015 1.00 . A A . 4 ARG CG 1 1
1 53 1 1 4 ARG CZ C -8.048 -3.856 6.566 1.00 . A A . 4 ARG CZ 1 1
1 54 1 1 4 ARG H H -13.396 -0.708 2.201 1.00 . A A . 4 ARG H 1 1
1 55 1 1 4 ARG HA H -11.460 0.578 2.135 1.00 . A A . 4 ARG HA 1 1
1 56 1 1 4 ARG HB2 H -9.725 -0.042 3.686 1.00 . A A . 4 ARG HB2 1 1
1 57 1 1 4 ARG HB3 H -11.327 -0.306 4.332 1.00 . A A . 4 ARG HB3 1 1
1 58 1 1 4 ARG HD2 H -8.645 -1.467 5.377 1.00 . A A . 4 ARG HD2 1 1
1 59 1 1 4 ARG HD3 H -10.176 -1.844 6.183 1.00 . A A . 4 ARG HD3 1 1
1 60 1 1 4 ARG HG2 H -11.105 -2.778 4.046 1.00 . A A . 4 ARG HG2 1 1
1 61 1 1 4 ARG HG3 H -9.553 -2.574 3.239 1.00 . A A . 4 ARG HG3 1 1
1 62 1 1 4 ARG HH11 H -7.672 -1.973 7.169 1.00 . A A . 4 ARG HH11 1 1
1 63 1 1 4 ARG HH12 H -6.685 -3.312 7.943 1.00 . A A . 4 ARG HH12 1 1
1 64 1 1 4 ARG HH21 H -8.232 -5.804 6.138 1.00 . A A . 4 ARG HH21 1 1
1 65 1 1 4 ARG HH22 H -6.982 -5.334 7.397 1.00 . A A . 4 ARG HH22 1 1
1 66 1 1 4 ARG N N -12.513 -1.197 2.019 1.00 . A A . 4 ARG N 1 1
1 67 1 1 4 ARG NE N -9.015 -3.553 5.678 1.00 . A A . 4 ARG NE 1 1
1 68 1 1 4 ARG NH1 N -7.402 -2.954 7.302 1.00 . A A . 4 ARG NH1 1 1
1 69 1 1 4 ARG NH2 N -7.721 -5.127 6.716 1.00 . A A . 4 ARG NH2 1 1
1 70 1 1 4 ARG O O -9.048 -1.159 1.207 1.00 . A A . 4 ARG O 1 1
1 71 1 1 5 SER C C -8.597 0.829 -1.454 1.00 . A A . 5 SER C 1 1
1 72 1 1 5 SER CA C -9.665 -0.308 -1.424 1.00 . A A . 5 SER CA 1 1
1 73 1 1 5 SER CB C -10.450 -0.404 -2.759 1.00 . A A . 5 SER CB 1 1
1 74 1 1 5 SER H H -11.498 0.117 -0.247 1.00 . A A . 5 SER H 1 1
1 75 1 1 5 SER HA H -9.133 -1.266 -1.344 1.00 . A A . 5 SER HA 1 1
1 76 1 1 5 SER HB2 H -11.197 -1.219 -2.734 1.00 . A A . 5 SER HB2 1 1
1 77 1 1 5 SER HB3 H -11.008 0.522 -2.988 1.00 . A A . 5 SER HB3 1 1
1 78 1 1 5 SER HG H -8.949 0.064 -3.868 1.00 . A A . 5 SER HG 1 1
1 79 1 1 5 SER N N -10.547 -0.250 -0.225 1.00 . A A . 5 SER N 1 1
1 80 1 1 5 SER O O -7.406 0.520 -1.543 1.00 . A A . 5 SER O 1 1
1 81 1 1 5 SER OG O -9.564 -0.673 -3.840 1.00 . A A . 5 SER OG 1 1
1 82 1 1 6 GLY C C -7.009 3.305 -0.240 1.00 . A A . 6 GLY C 1 1
1 83 1 1 6 GLY CA C -8.085 3.275 -1.352 1.00 . A A . 6 GLY CA 1 1
1 84 1 1 6 GLY H H -10.027 2.236 -1.317 1.00 . A A . 6 GLY H 1 1
1 85 1 1 6 GLY HA2 H -7.591 3.351 -2.339 1.00 . A A . 6 GLY HA2 1 1
1 86 1 1 6 GLY HA3 H -8.692 4.196 -1.274 1.00 . A A . 6 GLY HA3 1 1
1 87 1 1 6 GLY N N -9.011 2.114 -1.376 1.00 . A A . 6 GLY N 1 1
1 88 1 1 6 GLY O O -5.826 3.458 -0.554 1.00 . A A . 6 GLY O 1 1
1 89 1 1 7 GLY C C -5.396 2.002 2.157 1.00 . A A . 7 GLY C 1 1
1 90 1 1 7 GLY CA C -6.476 3.113 2.188 1.00 . A A . 7 GLY CA 1 1
1 91 1 1 7 GLY H H -8.406 2.910 1.148 1.00 . A A . 7 GLY H 1 1
1 92 1 1 7 GLY HA2 H -5.983 4.100 2.279 1.00 . A A . 7 GLY HA2 1 1
1 93 1 1 7 GLY HA3 H -7.065 3.005 3.117 1.00 . A A . 7 GLY HA3 1 1
1 94 1 1 7 GLY N N -7.415 3.150 1.036 1.00 . A A . 7 GLY N 1 1
1 95 1 1 7 GLY O O -4.218 2.297 2.371 1.00 . A A . 7 GLY O 1 1
1 96 1 1 8 ASP C C -3.874 -0.324 0.576 1.00 . A A . 8 ASP C 1 1
1 97 1 1 8 ASP CA C -4.876 -0.409 1.769 1.00 . A A . 8 ASP CA 1 1
1 98 1 1 8 ASP CB C -5.644 -1.761 1.734 1.00 . A A . 8 ASP CB 1 1
1 99 1 1 8 ASP CG C -6.357 -2.197 3.027 1.00 . A A . 8 ASP CG 1 1
1 100 1 1 8 ASP H H -6.803 0.641 1.702 1.00 . A A . 8 ASP H 1 1
1 101 1 1 8 ASP HA H -4.273 -0.397 2.690 1.00 . A A . 8 ASP HA 1 1
1 102 1 1 8 ASP HB2 H -6.373 -1.759 0.901 1.00 . A A . 8 ASP HB2 1 1
1 103 1 1 8 ASP HB3 H -4.936 -2.575 1.486 1.00 . A A . 8 ASP HB3 1 1
1 104 1 1 8 ASP HD2 H -7.487 -3.651 3.655 1.00 . A A . 8 ASP HD2 1 1
1 105 1 1 8 ASP N N -5.804 0.747 1.880 1.00 . A A . 8 ASP N 1 1
1 106 1 1 8 ASP O O -2.725 -0.730 0.755 1.00 . A A . 8 ASP O 1 1
1 107 1 1 8 ASP OD1 O -6.310 -1.579 4.091 1.00 . A A . 8 ASP OD1 1 1
1 108 1 1 8 ASP OD2 O -7.043 -3.370 2.852 1.00 . A A . 8 ASP OD2 1 1
1 109 1 1 9 ILE C C -2.154 1.293 -1.473 1.00 . A A . 9 ILE C 1 1
1 110 1 1 9 ILE CA C -3.370 0.362 -1.789 1.00 . A A . 9 ILE CA 1 1
1 111 1 1 9 ILE CB C -4.235 0.694 -3.062 1.00 . A A . 9 ILE CB 1 1
1 112 1 1 9 ILE CD1 C -4.280 -1.580 -4.446 1.00 . A A . 9 ILE CD1 1 1
1 113 1 1 9 ILE CG1 C -5.033 -0.545 -3.590 1.00 . A A . 9 ILE CG1 1 1
1 114 1 1 9 ILE CG2 C -3.468 1.386 -4.222 1.00 . A A . 9 ILE CG2 1 1
1 115 1 1 9 ILE H H -5.238 0.534 -0.651 1.00 . A A . 9 ILE H 1 1
1 116 1 1 9 ILE HA H -2.915 -0.624 -1.938 1.00 . A A . 9 ILE HA 1 1
1 117 1 1 9 ILE HB H -4.998 1.437 -2.757 1.00 . A A . 9 ILE HB 1 1
1 118 1 1 9 ILE HD11 H -3.414 -2.005 -3.906 1.00 . A A . 9 ILE HD11 1 1
1 119 1 1 9 ILE HD12 H -4.940 -2.423 -4.720 1.00 . A A . 9 ILE HD12 1 1
1 120 1 1 9 ILE HD13 H -3.906 -1.145 -5.391 1.00 . A A . 9 ILE HD13 1 1
1 121 1 1 9 ILE HG12 H -5.502 -1.107 -2.764 1.00 . A A . 9 ILE HG12 1 1
1 122 1 1 9 ILE HG13 H -5.900 -0.155 -4.145 1.00 . A A . 9 ILE HG13 1 1
1 123 1 1 9 ILE HG21 H -3.062 2.368 -3.916 1.00 . A A . 9 ILE HG21 1 1
1 124 1 1 9 ILE HG22 H -2.613 0.780 -4.573 1.00 . A A . 9 ILE HG22 1 1
1 125 1 1 9 ILE HG23 H -4.122 1.576 -5.093 1.00 . A A . 9 ILE HG23 1 1
1 126 1 1 9 ILE N N -4.272 0.198 -0.610 1.00 . A A . 9 ILE N 1 1
1 127 1 1 9 ILE O O -1.021 0.885 -1.739 1.00 . A A . 9 ILE O 1 1
1 128 1 1 10 ILE C C -0.335 2.770 0.581 1.00 . A A . 10 ILE C 1 1
1 129 1 1 10 ILE CA C -1.274 3.424 -0.501 1.00 . A A . 10 ILE CA 1 1
1 130 1 1 10 ILE CB C -1.873 4.844 -0.151 1.00 . A A . 10 ILE CB 1 1
1 131 1 1 10 ILE CD1 C -3.636 5.340 -2.060 1.00 . A A . 10 ILE CD1 1 1
1 132 1 1 10 ILE CG1 C -2.285 5.676 -1.412 1.00 . A A . 10 ILE CG1 1 1
1 133 1 1 10 ILE CG2 C -0.917 5.734 0.682 1.00 . A A . 10 ILE CG2 1 1
1 134 1 1 10 ILE H H -3.323 2.834 -1.055 1.00 . A A . 10 ILE H 1 1
1 135 1 1 10 ILE HA H -0.640 3.562 -1.395 1.00 . A A . 10 ILE HA 1 1
1 136 1 1 10 ILE HB H -2.768 4.706 0.489 1.00 . A A . 10 ILE HB 1 1
1 137 1 1 10 ILE HD11 H -3.831 6.001 -2.924 1.00 . A A . 10 ILE HD11 1 1
1 138 1 1 10 ILE HD12 H -4.469 5.489 -1.350 1.00 . A A . 10 ILE HD12 1 1
1 139 1 1 10 ILE HD13 H -3.684 4.303 -2.434 1.00 . A A . 10 ILE HD13 1 1
1 140 1 1 10 ILE HG12 H -2.342 6.754 -1.163 1.00 . A A . 10 ILE HG12 1 1
1 141 1 1 10 ILE HG13 H -1.490 5.610 -2.178 1.00 . A A . 10 ILE HG13 1 1
1 142 1 1 10 ILE HG21 H -0.670 5.265 1.653 1.00 . A A . 10 ILE HG21 1 1
1 143 1 1 10 ILE HG22 H 0.035 5.921 0.152 1.00 . A A . 10 ILE HG22 1 1
1 144 1 1 10 ILE HG23 H -1.369 6.714 0.923 1.00 . A A . 10 ILE HG23 1 1
1 145 1 1 10 ILE N N -2.375 2.492 -0.893 1.00 . A A . 10 ILE N 1 1
1 146 1 1 10 ILE O O 0.881 2.960 0.498 1.00 . A A . 10 ILE O 1 1
1 147 1 1 11 LYS C C 0.859 0.231 2.008 1.00 . A A . 11 LYS C 1 1
1 148 1 1 11 LYS CA C -0.101 1.306 2.607 1.00 . A A . 11 LYS CA 1 1
1 149 1 1 11 LYS CB C -1.032 0.702 3.696 1.00 . A A . 11 LYS CB 1 1
1 150 1 1 11 LYS CD C -1.052 2.121 5.919 1.00 . A A . 11 LYS CD 1 1
1 151 1 1 11 LYS CE C 0.202 2.998 5.739 1.00 . A A . 11 LYS CE 1 1
1 152 1 1 11 LYS CG C -1.774 1.705 4.617 1.00 . A A . 11 LYS CG 1 1
1 153 1 1 11 LYS H H -1.901 1.934 1.513 1.00 . A A . 11 LYS H 1 1
1 154 1 1 11 LYS HA H 0.531 2.067 3.073 1.00 . A A . 11 LYS HA 1 1
1 155 1 1 11 LYS HB2 H -1.786 0.059 3.202 1.00 . A A . 11 LYS HB2 1 1
1 156 1 1 11 LYS HB3 H -0.462 -0.001 4.334 1.00 . A A . 11 LYS HB3 1 1
1 157 1 1 11 LYS HD2 H -1.786 2.667 6.543 1.00 . A A . 11 LYS HD2 1 1
1 158 1 1 11 LYS HD3 H -0.797 1.215 6.502 1.00 . A A . 11 LYS HD3 1 1
1 159 1 1 11 LYS HE2 H 0.998 2.433 5.222 1.00 . A A . 11 LYS HE2 1 1
1 160 1 1 11 LYS HE3 H -0.026 3.875 5.105 1.00 . A A . 11 LYS HE3 1 1
1 161 1 1 11 LYS HG2 H -2.083 2.604 4.052 1.00 . A A . 11 LYS HG2 1 1
1 162 1 1 11 LYS HG3 H -2.728 1.232 4.917 1.00 . A A . 11 LYS HG3 1 1
1 163 1 1 11 LYS HZ2 H 1.009 2.662 7.609 1.00 . A A . 11 LYS HZ2 1 1
1 164 1 1 11 LYS HZ3 H 1.579 4.016 6.892 1.00 . A A . 11 LYS HZ3 1 1
1 165 1 1 11 LYS N N -0.885 2.020 1.565 1.00 . A A . 11 LYS N 1 1
1 166 1 1 11 LYS NZ N 0.726 3.464 7.035 1.00 . A A . 11 LYS NZ 1 1
1 167 1 1 11 LYS O O 2.026 0.186 2.409 1.00 . A A . 11 LYS O 1 1
1 168 1 1 12 LYS C C 2.268 -1.015 -0.588 1.00 . A A . 12 LYS C 1 1
1 169 1 1 12 LYS CA C 1.215 -1.633 0.377 1.00 . A A . 12 LYS CA 1 1
1 170 1 1 12 LYS CB C 0.359 -2.739 -0.306 1.00 . A A . 12 LYS CB 1 1
1 171 1 1 12 LYS CD C -1.382 -3.539 1.484 1.00 . A A . 12 LYS CD 1 1
1 172 1 1 12 LYS CE C -1.860 -4.675 2.411 1.00 . A A . 12 LYS CE 1 1
1 173 1 1 12 LYS CG C -0.154 -3.877 0.610 1.00 . A A . 12 LYS CG 1 1
1 174 1 1 12 LYS H H -0.589 -0.446 0.785 1.00 . A A . 12 LYS H 1 1
1 175 1 1 12 LYS HA H 1.814 -2.089 1.176 1.00 . A A . 12 LYS HA 1 1
1 176 1 1 12 LYS HB2 H -0.475 -2.295 -0.883 1.00 . A A . 12 LYS HB2 1 1
1 177 1 1 12 LYS HB3 H 0.981 -3.237 -1.076 1.00 . A A . 12 LYS HB3 1 1
1 178 1 1 12 LYS HD2 H -1.146 -2.666 2.118 1.00 . A A . 12 LYS HD2 1 1
1 179 1 1 12 LYS HD3 H -2.220 -3.216 0.838 1.00 . A A . 12 LYS HD3 1 1
1 180 1 1 12 LYS HE2 H -1.021 -5.051 3.025 1.00 . A A . 12 LYS HE2 1 1
1 181 1 1 12 LYS HE3 H -2.597 -4.271 3.129 1.00 . A A . 12 LYS HE3 1 1
1 182 1 1 12 LYS HG2 H -0.415 -4.738 -0.035 1.00 . A A . 12 LYS HG2 1 1
1 183 1 1 12 LYS HG3 H 0.674 -4.241 1.246 1.00 . A A . 12 LYS HG3 1 1
1 184 1 1 12 LYS HZ2 H -2.766 -6.531 2.349 1.00 . A A . 12 LYS HZ2 1 1
1 185 1 1 12 LYS HZ3 H -1.799 -6.240 1.063 1.00 . A A . 12 LYS HZ3 1 1
1 186 1 1 12 LYS N N 0.382 -0.609 1.057 1.00 . A A . 12 LYS N 1 1
1 187 1 1 12 LYS NZ N -2.484 -5.799 1.687 1.00 . A A . 12 LYS NZ 1 1
1 188 1 1 12 LYS O O 3.376 -1.553 -0.651 1.00 . A A . 12 LYS O 1 1
1 189 1 1 13 MET C C 4.120 1.337 -1.414 1.00 . A A . 13 MET C 1 1
1 190 1 1 13 MET CA C 2.917 0.761 -2.236 1.00 . A A . 13 MET CA 1 1
1 191 1 1 13 MET CB C 2.239 1.837 -3.122 1.00 . A A . 13 MET CB 1 1
1 192 1 1 13 MET CE C 0.076 1.641 -6.685 1.00 . A A . 13 MET CE 1 1
1 193 1 1 13 MET CG C 1.312 1.285 -4.216 1.00 . A A . 13 MET CG 1 1
1 194 1 1 13 MET H H 0.995 0.409 -1.218 1.00 . A A . 13 MET H 1 1
1 195 1 1 13 MET HA H 3.323 -0.007 -2.902 1.00 . A A . 13 MET HA 1 1
1 196 1 1 13 MET HB2 H 1.698 2.580 -2.506 1.00 . A A . 13 MET HB2 1 1
1 197 1 1 13 MET HB3 H 3.031 2.412 -3.637 1.00 . A A . 13 MET HB3 1 1
1 198 1 1 13 MET HE1 H 0.643 0.774 -7.069 1.00 . A A . 13 MET HE1 1 1
1 199 1 1 13 MET HE2 H -0.865 1.271 -6.241 1.00 . A A . 13 MET HE2 1 1
1 200 1 1 13 MET HE3 H -0.182 2.288 -7.542 1.00 . A A . 13 MET HE3 1 1
1 201 1 1 13 MET HG2 H 1.764 0.391 -4.681 1.00 . A A . 13 MET HG2 1 1
1 202 1 1 13 MET HG3 H 0.332 0.968 -3.818 1.00 . A A . 13 MET HG3 1 1
1 203 1 1 13 MET N N 1.949 0.069 -1.338 1.00 . A A . 13 MET N 1 1
1 204 1 1 13 MET O O 5.280 1.114 -1.775 1.00 . A A . 13 MET O 1 1
1 205 1 1 13 MET SD S 1.045 2.558 -5.471 1.00 . A A . 13 MET SD 1 1
1 206 1 1 14 GLN C C 5.893 1.570 1.102 1.00 . A A . 14 GLN C 1 1
1 207 1 1 14 GLN CA C 4.808 2.595 0.659 1.00 . A A . 14 GLN CA 1 1
1 208 1 1 14 GLN CB C 4.023 3.185 1.870 1.00 . A A . 14 GLN CB 1 1
1 209 1 1 14 GLN CD C 4.784 5.687 1.750 1.00 . A A . 14 GLN CD 1 1
1 210 1 1 14 GLN CG C 3.619 4.675 1.758 1.00 . A A . 14 GLN CG 1 1
1 211 1 1 14 GLN H H 2.824 2.242 -0.194 1.00 . A A . 14 GLN H 1 1
1 212 1 1 14 GLN HA H 5.325 3.419 0.149 1.00 . A A . 14 GLN HA 1 1
1 213 1 1 14 GLN HB2 H 3.108 2.596 2.076 1.00 . A A . 14 GLN HB2 1 1
1 214 1 1 14 GLN HB3 H 4.608 3.031 2.790 1.00 . A A . 14 GLN HB3 1 1
1 215 1 1 14 GLN HE21 H 3.716 6.920 0.582 1.00 . A A . 14 GLN HE21 1 1
1 216 1 1 14 GLN HE22 H 5.394 7.475 1.077 1.00 . A A . 14 GLN HE22 1 1
1 217 1 1 14 GLN HG2 H 2.977 4.810 0.865 1.00 . A A . 14 GLN HG2 1 1
1 218 1 1 14 GLN HG3 H 2.964 4.924 2.613 1.00 . A A . 14 GLN HG3 1 1
1 219 1 1 14 GLN N N 3.819 2.024 -0.287 1.00 . A A . 14 GLN N 1 1
1 220 1 1 14 GLN NE2 N 4.614 6.809 1.067 1.00 . A A . 14 GLN NE2 1 1
1 221 1 1 14 GLN O O 7.084 1.841 0.928 1.00 . A A . 14 GLN O 1 1
1 222 1 1 14 GLN OE1 O 5.833 5.488 2.363 1.00 . A A . 14 GLN OE1 1 1
1 223 1 1 15 THR C C 7.012 -1.529 0.891 1.00 . A A . 15 THR C 1 1
1 224 1 1 15 THR CA C 6.408 -0.681 2.050 1.00 . A A . 15 THR CA 1 1
1 225 1 1 15 THR CB C 5.837 -1.521 3.205 1.00 . A A . 15 THR CB 1 1
1 226 1 1 15 THR CG2 C 4.595 -2.346 2.847 1.00 . A A . 15 THR CG2 1 1
1 227 1 1 15 THR H H 4.443 0.345 1.733 1.00 . A A . 15 THR H 1 1
1 228 1 1 15 THR HA H 7.269 -0.171 2.500 1.00 . A A . 15 THR HA 1 1
1 229 1 1 15 THR HB H 5.616 -0.793 3.995 1.00 . A A . 15 THR HB 1 1
1 230 1 1 15 THR HG1 H 6.420 -2.832 4.487 1.00 . A A . 15 THR HG1 1 1
1 231 1 1 15 THR HG21 H 3.790 -1.700 2.459 1.00 . A A . 15 THR HG21 1 1
1 232 1 1 15 THR HG22 H 4.831 -3.087 2.061 1.00 . A A . 15 THR HG22 1 1
1 233 1 1 15 THR HG23 H 4.212 -2.886 3.728 1.00 . A A . 15 THR HG23 1 1
1 234 1 1 15 THR N N 5.467 0.405 1.636 1.00 . A A . 15 THR N 1 1
1 235 1 1 15 THR O O 8.050 -2.156 1.122 1.00 . A A . 15 THR O 1 1
1 236 1 1 15 THR OG1 O 6.825 -2.400 3.732 1.00 . A A . 15 THR OG1 1 1
1 237 1 1 16 LEU C C 8.404 -1.818 -1.781 1.00 . A A . 16 LEU C 1 1
1 238 1 1 16 LEU CA C 6.950 -2.313 -1.504 1.00 . A A . 16 LEU CA 1 1
1 239 1 1 16 LEU CB C 6.020 -2.092 -2.747 1.00 . A A . 16 LEU CB 1 1
1 240 1 1 16 LEU CD1 C 4.007 -2.889 -4.109 1.00 . A A . 16 LEU CD1 1 1
1 241 1 1 16 LEU CD2 C 5.941 -4.465 -3.738 1.00 . A A . 16 LEU CD2 1 1
1 242 1 1 16 LEU CG C 5.124 -3.303 -3.132 1.00 . A A . 16 LEU CG 1 1
1 243 1 1 16 LEU H H 5.464 -1.171 -0.352 1.00 . A A . 16 LEU H 1 1
1 244 1 1 16 LEU HA H 6.950 -3.389 -1.258 1.00 . A A . 16 LEU HA 1 1
1 245 1 1 16 LEU HB2 H 5.391 -1.193 -2.589 1.00 . A A . 16 LEU HB2 1 1
1 246 1 1 16 LEU HB3 H 6.615 -1.783 -3.632 1.00 . A A . 16 LEU HB3 1 1
1 247 1 1 16 LEU HD11 H 3.338 -2.132 -3.663 1.00 . A A . 16 LEU HD11 1 1
1 248 1 1 16 LEU HD12 H 3.365 -3.747 -4.384 1.00 . A A . 16 LEU HD12 1 1
1 249 1 1 16 LEU HD13 H 4.408 -2.463 -5.048 1.00 . A A . 16 LEU HD13 1 1
1 250 1 1 16 LEU HD21 H 6.716 -4.835 -3.041 1.00 . A A . 16 LEU HD21 1 1
1 251 1 1 16 LEU HD22 H 5.299 -5.332 -3.982 1.00 . A A . 16 LEU HD22 1 1
1 252 1 1 16 LEU HD23 H 6.459 -4.168 -4.669 1.00 . A A . 16 LEU HD23 1 1
1 253 1 1 16 LEU HG H 4.630 -3.674 -2.215 1.00 . A A . 16 LEU HG 1 1
1 254 1 1 16 LEU N N 6.403 -1.575 -0.322 1.00 . A A . 16 LEU N 1 1
1 255 1 1 16 LEU O O 9.360 -2.595 -1.771 1.00 . A A . 16 LEU O 1 1
1 256 1 1 17 TRP C C 10.597 0.415 -0.833 1.00 . A A . 17 TRP C 1 1
1 257 1 1 17 TRP CA C 9.785 0.228 -2.154 1.00 . A A . 17 TRP CA 1 1
1 258 1 1 17 TRP CB C 9.640 1.582 -2.923 1.00 . A A . 17 TRP CB 1 1
1 259 1 1 17 TRP CD1 C 7.466 1.475 -4.391 1.00 . A A . 17 TRP CD1 1 1
1 260 1 1 17 TRP CD2 C 7.538 3.157 -2.963 1.00 . A A . 17 TRP CD2 1 1
1 261 1 1 17 TRP CE2 C 6.362 3.259 -3.744 1.00 . A A . 17 TRP CE2 1 1
1 262 1 1 17 TRP CE3 C 7.723 3.978 -1.833 1.00 . A A . 17 TRP CE3 1 1
1 263 1 1 17 TRP CG C 8.264 2.078 -3.407 1.00 . A A . 17 TRP CG 1 1
1 264 1 1 17 TRP CH2 C 5.614 5.084 -2.343 1.00 . A A . 17 TRP CH2 1 1
1 265 1 1 17 TRP CZ2 C 5.385 4.231 -3.427 1.00 . A A . 17 TRP CZ2 1 1
1 266 1 1 17 TRP CZ3 C 6.768 4.958 -1.555 1.00 . A A . 17 TRP CZ3 1 1
1 267 1 1 17 TRP H H 7.608 -0.004 -1.933 1.00 . A A . 17 TRP H 1 1
1 268 1 1 17 TRP HA H 10.388 -0.433 -2.789 1.00 . A A . 17 TRP HA 1 1
1 269 1 1 17 TRP HB2 H 10.106 2.405 -2.348 1.00 . A A . 17 TRP HB2 1 1
1 270 1 1 17 TRP HB3 H 10.289 1.527 -3.816 1.00 . A A . 17 TRP HB3 1 1
1 271 1 1 17 TRP HD1 H 7.661 0.470 -4.722 1.00 . A A . 17 TRP HD1 1 1
1 272 1 1 17 TRP HE1 H 5.483 1.946 -5.222 1.00 . A A . 17 TRP HE1 1 1
1 273 1 1 17 TRP HE3 H 8.537 3.753 -1.161 1.00 . A A . 17 TRP HE3 1 1
1 274 1 1 17 TRP HH2 H 4.870 5.822 -2.081 1.00 . A A . 17 TRP HH2 1 1
1 275 1 1 17 TRP HZ2 H 4.466 4.275 -3.991 1.00 . A A . 17 TRP HZ2 1 1
1 276 1 1 17 TRP HZ3 H 6.890 5.587 -0.686 1.00 . A A . 17 TRP HZ3 1 1
1 277 1 1 17 TRP N N 8.514 -0.488 -1.943 1.00 . A A . 17 TRP N 1 1
1 278 1 1 17 TRP NE1 N 6.290 2.210 -4.647 1.00 . A A . 17 TRP NE1 1 1
1 279 1 1 17 TRP O O 11.824 0.491 -0.936 1.00 . A A . 17 TRP O 1 1
1 280 1 1 18 ASP C C 11.660 -0.572 1.950 1.00 . A A . 18 ASP C 1 1
1 281 1 1 18 ASP CA C 10.735 0.657 1.654 1.00 . A A . 18 ASP CA 1 1
1 282 1 1 18 ASP CB C 9.833 0.985 2.886 1.00 . A A . 18 ASP CB 1 1
1 283 1 1 18 ASP CG C 10.595 1.426 4.148 1.00 . A A . 18 ASP CG 1 1
1 284 1 1 18 ASP H H 8.941 0.553 0.289 1.00 . A A . 18 ASP H 1 1
1 285 1 1 18 ASP HA H 11.309 1.586 1.531 1.00 . A A . 18 ASP HA 1 1
1 286 1 1 18 ASP HB2 H 9.116 1.803 2.667 1.00 . A A . 18 ASP HB2 1 1
1 287 1 1 18 ASP HB3 H 9.227 0.099 3.151 1.00 . A A . 18 ASP HB3 1 1
1 288 1 1 18 ASP HD2 H 11.444 3.015 4.886 1.00 . A A . 18 ASP HD2 1 1
1 289 1 1 18 ASP N N 9.968 0.477 0.376 1.00 . A A . 18 ASP N 1 1
1 290 1 1 18 ASP O O 12.857 -0.417 2.199 1.00 . A A . 18 ASP O 1 1
1 291 1 1 18 ASP OD1 O 10.841 0.671 5.089 1.00 . A A . 18 ASP OD1 1 1
1 292 1 1 18 ASP OD2 O 10.967 2.745 4.098 1.00 . A A . 18 ASP OD2 1 1
1 293 1 1 19 GLU C C 12.707 -3.536 0.980 1.00 . A A . 19 GLU C 1 1
1 294 1 1 19 GLU CA C 11.735 -3.066 2.107 1.00 . A A . 19 GLU CA 1 1
1 295 1 1 19 GLU CB C 10.650 -4.140 2.400 1.00 . A A . 19 GLU CB 1 1
1 296 1 1 19 GLU CD C 9.216 -5.323 4.173 1.00 . A A . 19 GLU CD 1 1
1 297 1 1 19 GLU CG C 9.975 -4.049 3.791 1.00 . A A . 19 GLU CG 1 1
1 298 1 1 19 GLU H H 10.052 -1.727 1.730 1.00 . A A . 19 GLU H 1 1
1 299 1 1 19 GLU HA H 12.344 -2.953 3.010 1.00 . A A . 19 GLU HA 1 1
1 300 1 1 19 GLU HB2 H 9.879 -4.150 1.605 1.00 . A A . 19 GLU HB2 1 1
1 301 1 1 19 GLU HB3 H 11.131 -5.125 2.325 1.00 . A A . 19 GLU HB3 1 1
1 302 1 1 19 GLU HE2 H 7.758 -4.567 3.128 1.00 . A A . 19 GLU HE2 1 1
1 303 1 1 19 GLU HG2 H 10.746 -3.834 4.548 1.00 . A A . 19 GLU HG2 1 1
1 304 1 1 19 GLU HG3 H 9.279 -3.196 3.863 1.00 . A A . 19 GLU HG3 1 1
1 305 1 1 19 GLU N N 11.057 -1.773 1.905 1.00 . A A . 19 GLU N 1 1
1 306 1 1 19 GLU O O 13.755 -4.100 1.305 1.00 . A A . 19 GLU O 1 1
1 307 1 1 19 GLU OE1 O 9.697 -6.212 4.874 1.00 . A A . 19 GLU OE1 1 1
1 308 1 1 19 GLU OE2 O 7.950 -5.352 3.646 1.00 . A A . 19 GLU OE2 1 1
1 309 1 1 20 ILE C C 14.502 -2.827 -1.584 1.00 . A A . 20 ILE C 1 1
1 310 1 1 20 ILE CA C 13.230 -3.726 -1.464 1.00 . A A . 20 ILE CA 1 1
1 311 1 1 20 ILE CB C 12.357 -3.890 -2.768 1.00 . A A . 20 ILE CB 1 1
1 312 1 1 20 ILE CD1 C 10.223 -5.101 -3.737 1.00 . A A . 20 ILE CD1 1 1
1 313 1 1 20 ILE CG1 C 11.296 -5.034 -2.636 1.00 . A A . 20 ILE CG1 1 1
1 314 1 1 20 ILE CG2 C 13.216 -4.135 -4.034 1.00 . A A . 20 ILE CG2 1 1
1 315 1 1 20 ILE H H 11.503 -2.830 -0.470 1.00 . A A . 20 ILE H 1 1
1 316 1 1 20 ILE HA H 13.596 -4.727 -1.224 1.00 . A A . 20 ILE HA 1 1
1 317 1 1 20 ILE HB H 11.816 -2.938 -2.933 1.00 . A A . 20 ILE HB 1 1
1 318 1 1 20 ILE HD11 H 9.705 -4.134 -3.868 1.00 . A A . 20 ILE HD11 1 1
1 319 1 1 20 ILE HD12 H 10.649 -5.385 -4.716 1.00 . A A . 20 ILE HD12 1 1
1 320 1 1 20 ILE HD13 H 9.452 -5.853 -3.491 1.00 . A A . 20 ILE HD13 1 1
1 321 1 1 20 ILE HG12 H 11.805 -6.014 -2.568 1.00 . A A . 20 ILE HG12 1 1
1 322 1 1 20 ILE HG13 H 10.758 -4.929 -1.676 1.00 . A A . 20 ILE HG13 1 1
1 323 1 1 20 ILE HG21 H 13.924 -3.306 -4.213 1.00 . A A . 20 ILE HG21 1 1
1 324 1 1 20 ILE HG22 H 12.599 -4.206 -4.947 1.00 . A A . 20 ILE HG22 1 1
1 325 1 1 20 ILE HG23 H 13.808 -5.065 -3.951 1.00 . A A . 20 ILE HG23 1 1
1 326 1 1 20 ILE N N 12.382 -3.317 -0.312 1.00 . A A . 20 ILE N 1 1
1 327 1 1 20 ILE O O 15.620 -3.334 -1.453 1.00 . A A . 20 ILE O 1 1
1 328 1 1 21 MET C C 15.649 0.050 -0.528 1.00 . A A . 21 MET C 1 1
1 329 1 1 21 MET CA C 15.401 -0.533 -1.945 1.00 . A A . 21 MET CA 1 1
1 330 1 1 21 MET CB C 15.031 0.509 -3.033 1.00 . A A . 21 MET CB 1 1
1 331 1 1 21 MET CE C 15.085 0.538 -7.206 1.00 . A A . 21 MET CE 1 1
1 332 1 1 21 MET CG C 15.195 0.013 -4.479 1.00 . A A . 21 MET CG 1 1
1 333 1 1 21 MET H H 13.385 -1.164 -1.710 1.00 . A A . 21 MET H 1 1
1 334 1 1 21 MET HA H 16.311 -1.047 -2.271 1.00 . A A . 21 MET HA 1 1
1 335 1 1 21 MET HB2 H 14.001 0.889 -2.888 1.00 . A A . 21 MET HB2 1 1
1 336 1 1 21 MET HB3 H 15.669 1.390 -2.893 1.00 . A A . 21 MET HB3 1 1
1 337 1 1 21 MET HE1 H 14.902 1.238 -8.041 1.00 . A A . 21 MET HE1 1 1
1 338 1 1 21 MET HE2 H 16.120 0.160 -7.296 1.00 . A A . 21 MET HE2 1 1
1 339 1 1 21 MET HE3 H 14.393 -0.317 -7.318 1.00 . A A . 21 MET HE3 1 1
1 340 1 1 21 MET HG2 H 16.225 -0.349 -4.653 1.00 . A A . 21 MET HG2 1 1
1 341 1 1 21 MET HG3 H 14.515 -0.834 -4.683 1.00 . A A . 21 MET HG3 1 1
1 342 1 1 21 MET N N 14.320 -1.522 -1.845 1.00 . A A . 21 MET N 1 1
1 343 1 1 21 MET O O 16.615 -0.318 0.141 1.00 . A A . 21 MET O 1 1
1 344 1 1 21 MET SD S 14.836 1.365 -5.623 1.00 . A A . 21 MET SD 1 1
stop_
save_
Contact the webmaster for help, if required. Thursday, May 23, 2024 1:48:04 PM GMT (wattos1)