NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
394391 |
1r7g   |
5978 | cing | 4-filtered-FRED | STAR | entry | full | 231 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1r7g
# This FRED archive file contains, for PDB entry <1r7g>:
#
# - Coordinates and sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the coordinates and NMR restraints share the same atom names,
# and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process and the filtering process
# used in creating these files, the NMR restraints information in these files
# may differ significantly from that in the originally deposited file. Other
# modifications could have occurred to the NMR restraints information, or data
# could have been lost because of parsing or conversion errors. The PDB file
# remains the authoritative reference for the atomic coordinates and the
# originally deposited restraints files remain the primary reference for these
# data.
#
# This file is generated at the BioMagResBank (BMRB) in collaboration with the
# PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and
# the CMBI/IMM group at the Radboud University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend,
# JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with
# curated sets of experimental NMR restraints for over 4,000 protein and nucleic
# acid PDB entries. (in preparation)
save_Conversion_project_for_entry_Name_1
_Study_list.Sf_category study_list
_Study_list.Entry_ID 1
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project for entry 1" NMR . 1 1
stop_
save_
save_originalConstraints_1
_Entry.Sf_category entry_information
_Entry.ID 1
_Entry.Title "Data for entry 1"
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Details .
save_
save_assembly_1r7g
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1r7g
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all free"
_Assembly.Molecular_mass 3766.39
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 $Genome_polyprotein A . 1 1
stop_
save_
save_Genome_polyprotein
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "Genome polyprotein"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code SGSWLRDIWDWICEVLSDFKTWLKAKLMPQL
_Entity.Number_of_monomers 31
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 SER . 1 1
2 GLY . 1 1
3 SER . 1 1
4 TRP . 1 1
5 LEU . 1 1
6 ARG . 1 1
7 ASP . 1 1
8 ILE . 1 1
9 TRP . 1 1
10 ASP . 1 1
11 TRP . 1 1
12 ILE . 1 1
13 CYS . 1 1
14 GLU . 1 1
15 VAL . 1 1
16 LEU . 1 1
17 SER . 1 1
18 ASP . 1 1
19 PHE . 1 1
20 LYS . 1 1
21 THR . 1 1
22 TRP . 1 1
23 LEU . 1 1
24 LYS . 1 1
25 ALA . 1 1
26 LYS . 1 1
27 LEU . 1 1
28 MET . 1 1
29 PRO . 1 1
30 GLN . 1 1
31 LEU . 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
SER 1 1 1 1
GLY 2 2 1 1
SER 3 3 1 1
TRP 4 4 1 1
LEU 5 5 1 1
ARG 6 6 1 1
ASP 7 7 1 1
ILE 8 8 1 1
TRP 9 9 1 1
ASP 10 10 1 1
TRP 11 11 1 1
ILE 12 12 1 1
CYS 13 13 1 1
GLU 14 14 1 1
VAL 15 15 1 1
LEU 16 16 1 1
SER 17 17 1 1
ASP 18 18 1 1
PHE 19 19 1 1
LYS 20 20 1 1
THR 21 21 1 1
TRP 22 22 1 1
LEU 23 23 1 1
LYS 24 24 1 1
ALA 25 25 1 1
LYS 26 26 1 1
LEU 27 27 1 1
MET 28 28 1 1
PRO 29 29 1 1
GLN 30 30 1 1
LEU 31 31 1 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
16 1 . . . 1 1
17 1 . . . 1 1
18 1 . . . 1 1
19 1 . . . 1 1
20 1 . . . 1 1
21 1 . . . 1 1
22 1 . . . 1 1
23 1 . . . 1 1
24 1 . . . 1 1
25 1 . . . 1 1
26 1 . . . 1 1
27 1 . . . 1 1
28 1 . . . 1 1
29 1 . . . 1 1
30 1 . . . 1 1
31 1 . . . 1 1
32 1 . . . 1 1
33 1 . . . 1 1
34 1 . . . 1 1
35 1 . . . 1 1
36 1 . . . 1 1
37 1 . . . 1 1
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48 1 . . . 1 1
49 1 . . . 1 1
50 1 . . . 1 1
51 1 . . . 1 1
52 1 . . . 1 1
53 1 . . . 1 1
54 1 . . . 1 1
55 1 . . . 1 1
56 1 . . . 1 1
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58 1 . . . 1 1
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60 1 . . . 1 1
61 1 . . . 1 1
62 1 . . . 1 1
63 1 . . . 1 1
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65 1 . . . 1 1
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68 1 . . . 1 1
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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
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78 1 . . . 1 1
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80 1 . . . 1 1
81 1 . . . 1 1
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84 1 . . . 1 1
85 1 . . . 1 1
86 1 . . . 1 1
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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
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98 1 . . . 1 1
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100 1 . . . 1 1
101 1 . . . 1 1
102 1 . . . 1 1
103 1 . . . 1 1
104 1 . . . 1 1
105 1 . . . 1 1
106 1 . . . 1 1
107 1 . . . 1 1
108 1 . . . 1 1
109 1 . . . 1 1
110 1 . . . 1 1
111 1 . . . 1 1
112 1 . . . 1 1
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114 1 . . . 1 1
115 1 . . . 1 1
116 1 . . . 1 1
117 1 . . . 1 1
118 1 . . . 1 1
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120 1 . . . 1 1
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123 1 . . . 1 1
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125 1 . . . 1 1
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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
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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
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148 1 . . . 1 1
149 1 . . . 1 1
150 1 . . . 1 1
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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
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174 1 . . . 1 1
175 1 . . . 1 1
176 1 . . . 1 1
177 1 . . . 1 1
178 1 . . . 1 1
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180 1 . . . 1 1
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183 1 . . . 1 1
184 1 . . . 1 1
185 1 . . . 1 1
186 1 . . . 1 1
187 1 . . . 1 1
188 1 . . . 1 1
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190 1 . . . 1 1
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198 1 . . . 1 1
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200 1 . . . 1 1
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210 1 . . . 1 1
211 1 . . . 1 1
212 1 . . . 1 1
213 1 . . . 1 1
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215 1 . . . 1 1
216 1 . . . 1 1
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224 1 . . . 1 1
225 1 . . . 1 1
226 1 . . . 1 1
227 1 . . . 1 1
228 1 . . . 1 1
229 1 . . . 1 1
230 1 . . . 1 1
231 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 4 TRP HB2 . 4 . HB2 1 1
1 1 2 1 1 4 TRP HD1 . 4 . HD1 1 1
2 1 1 1 1 4 TRP HB2 . 4 . HB2 1 1
2 1 2 1 1 6 ARG H . 6 . HN 1 1
3 1 1 1 1 4 TRP HB3 . 4 . HB1 1 1
3 1 2 1 1 4 TRP HD1 . 4 . HD1 1 1
4 1 1 1 1 4 TRP HE3 . 4 . HE3 1 1
4 1 2 1 1 5 LEU HA . 5 . HA 1 1
5 1 1 1 1 4 TRP HE3 . 4 . HE3 1 1
5 1 2 1 1 5 LEU QB . 5 . HB# 1 1
6 1 1 1 1 4 TRP HE3 . 4 . HE3 1 1
6 1 2 1 1 8 ILE QG . 8 . HG11 1 1
7 1 1 1 1 4 TRP HE3 . 4 . HE3 1 1
7 1 2 1 1 8 ILE MG . 8 . HG2# 1 1
8 1 1 1 1 5 LEU H . 5 . HN 1 1
8 1 2 1 1 5 LEU HA . 5 . HA 1 1
9 1 1 1 1 5 LEU H . 5 . HN 1 1
9 1 2 1 1 5 LEU MD1 . 5 . HD1# 1 1
10 1 1 1 1 5 LEU H . 5 . HN 1 1
10 1 2 1 1 5 LEU MD2 . 5 . HD2# 1 1
11 1 1 1 1 5 LEU HA . 5 . HA 1 1
11 1 2 1 1 6 ARG H . 6 . HN 1 1
12 1 1 1 1 5 LEU HA . 5 . HA 1 1
12 1 2 1 1 8 ILE H . 8 . HN 1 1
13 1 1 1 1 5 LEU HA . 5 . HA 1 1
13 1 2 1 1 8 ILE HB . 8 . HB 1 1
14 1 1 1 1 5 LEU QB . 5 . HB# 1 1
14 1 2 1 1 6 ARG H . 6 . HN 1 1
15 1 1 1 1 5 LEU MD1 . 5 . HD1# 1 1
15 1 2 1 1 6 ARG H . 6 . HN 1 1
16 1 1 1 1 5 LEU MD1 . 5 . HD1# 1 1
16 1 2 1 1 7 ASP H . 7 . HN 1 1
17 1 1 1 1 5 LEU MD2 . 5 . HD2# 1 1
17 1 2 1 1 6 ARG H . 6 . HN 1 1
18 1 1 1 1 5 LEU MD2 . 5 . HD2# 1 1
18 1 2 1 1 7 ASP H . 7 . HN 1 1
19 1 1 1 1 6 ARG H . 6 . HN 1 1
19 1 2 1 1 6 ARG HB2 . 6 . HB2 1 1
20 1 1 1 1 6 ARG H . 6 . HN 1 1
20 1 2 1 1 6 ARG HB3 . 6 . HB1 1 1
21 1 1 1 1 6 ARG H . 6 . HN 1 1
21 1 2 1 1 6 ARG QG . 6 . HG# 1 1
22 1 1 1 1 6 ARG H . 6 . HN 1 1
22 1 2 1 1 7 ASP H . 7 . HN 1 1
23 1 1 1 1 6 ARG HA . 6 . HA 1 1
23 1 2 1 1 6 ARG QD . 6 . HD# 1 1
24 1 1 1 1 6 ARG HA . 6 . HA 1 1
24 1 2 1 1 7 ASP H . 7 . HN 1 1
25 1 1 1 1 6 ARG HA . 6 . HA 1 1
25 1 2 1 1 9 TRP H . 9 . HN 1 1
26 1 1 1 1 6 ARG HA . 6 . HA 1 1
26 1 2 1 1 9 TRP HB2 . 9 . HB2 1 1
27 1 1 1 1 6 ARG HA . 6 . HA 1 1
27 1 2 1 1 9 TRP HB3 . 9 . HB1 1 1
28 1 1 1 1 6 ARG HB2 . 6 . HB2 1 1
28 1 2 1 1 7 ASP H . 7 . HN 1 1
29 1 1 1 1 6 ARG HB3 . 6 . HB1 1 1
29 1 2 1 1 7 ASP H . 7 . HN 1 1
30 1 1 1 1 7 ASP H . 7 . HN 1 1
30 1 2 1 1 7 ASP HA . 7 . HA 1 1
31 1 1 1 1 7 ASP H . 7 . HN 1 1
31 1 2 1 1 7 ASP HB2 . 7 . HB2 1 1
32 1 1 1 1 7 ASP H . 7 . HN 1 1
32 1 2 1 1 7 ASP HB3 . 7 . HB1 1 1
33 1 1 1 1 7 ASP HA . 7 . HA 1 1
33 1 2 1 1 8 ILE H . 8 . HN 1 1
34 1 1 1 1 7 ASP HA . 7 . HA 1 1
34 1 2 1 1 10 ASP H . 10 . HN 1 1
35 1 1 1 1 7 ASP HB3 . 7 . HB1 1 1
35 1 2 1 1 8 ILE H . 8 . HN 1 1
36 1 1 1 1 8 ILE H . 8 . HN 1 1
36 1 2 1 1 8 ILE HB . 8 . HB 1 1
37 1 1 1 1 8 ILE H . 8 . HN 1 1
37 1 2 1 1 9 TRP H . 9 . HN 1 1
38 1 1 1 1 8 ILE HA . 8 . HA 1 1
38 1 2 1 1 9 TRP H . 9 . HN 1 1
39 1 1 1 1 8 ILE HA . 8 . HA 1 1
39 1 2 1 1 10 ASP H . 10 . HN 1 1
40 1 1 1 1 8 ILE HA . 8 . HA 1 1
40 1 2 1 1 11 TRP H . 11 . HN 1 1
41 1 1 1 1 8 ILE HA . 8 . HA 1 1
41 1 2 1 1 11 TRP HB2 . 11 . HB2 1 1
42 1 1 1 1 8 ILE HA . 8 . HA 1 1
42 1 2 1 1 11 TRP HB3 . 11 . HB1 1 1
43 1 1 1 1 8 ILE HB . 8 . HB 1 1
43 1 2 1 1 9 TRP H . 9 . HN 1 1
44 1 1 1 1 8 ILE QG . 8 . HG11 1 1
44 1 2 1 1 9 TRP HA . 9 . HA 1 1
45 1 1 1 1 8 ILE MG . 8 . HG2# 1 1
45 1 2 1 1 9 TRP H . 9 . HN 1 1
46 1 1 1 1 9 TRP H . 9 . HN 1 1
46 1 2 1 1 9 TRP HB2 . 9 . HB2 1 1
47 1 1 1 1 9 TRP H . 9 . HN 1 1
47 1 2 1 1 9 TRP HB3 . 9 . HB1 1 1
48 1 1 1 1 9 TRP H . 9 . HN 1 1
48 1 2 1 1 10 ASP H . 10 . HN 1 1
49 1 1 1 1 9 TRP HA . 9 . HA 1 1
49 1 2 1 1 10 ASP H . 10 . HN 1 1
50 1 1 1 1 9 TRP HA . 9 . HA 1 1
50 1 2 1 1 12 ILE HB . 12 . HB 1 1
51 1 1 1 1 9 TRP HB2 . 9 . HB2 1 1
51 1 2 1 1 9 TRP HE3 . 9 . HE3 1 1
52 1 1 1 1 9 TRP HB2 . 9 . HB2 1 1
52 1 2 1 1 10 ASP H . 10 . HN 1 1
53 1 1 1 1 9 TRP HB3 . 9 . HB1 1 1
53 1 2 1 1 9 TRP HD1 . 9 . HD1 1 1
54 1 1 1 1 9 TRP HB3 . 9 . HB1 1 1
54 1 2 1 1 10 ASP H . 10 . HN 1 1
55 1 1 1 1 9 TRP HD1 . 9 . HD1 1 1
55 1 2 1 1 12 ILE HB . 12 . HB 1 1
56 1 1 1 1 9 TRP HD1 . 9 . HD1 1 1
56 1 2 1 1 12 ILE MD . 12 . HD1# 1 1
57 1 1 1 1 9 TRP HD1 . 9 . HD1 1 1
57 1 2 1 1 12 ILE MG . 12 . HG2# 1 1
58 1 1 1 1 10 ASP H . 10 . HN 1 1
58 1 2 1 1 10 ASP HA . 10 . HA 1 1
59 1 1 1 1 10 ASP H . 10 . HN 1 1
59 1 2 1 1 10 ASP HB2 . 10 . HB2 1 1
60 1 1 1 1 10 ASP H . 10 . HN 1 1
60 1 2 1 1 10 ASP HB3 . 10 . HB1 1 1
61 1 1 1 1 10 ASP H . 10 . HN 1 1
61 1 2 1 1 11 TRP H . 11 . HN 1 1
62 1 1 1 1 10 ASP HA . 10 . HA 1 1
62 1 2 1 1 10 ASP HB2 . 10 . HB2 1 1
63 1 1 1 1 10 ASP HA . 10 . HA 1 1
63 1 2 1 1 10 ASP HB3 . 10 . HB1 1 1
64 1 1 1 1 10 ASP HA . 10 . HA 1 1
64 1 2 1 1 11 TRP H . 11 . HN 1 1
65 1 1 1 1 10 ASP HA . 10 . HA 1 1
65 1 2 1 1 13 CYS H . 13 . HN 1 1
66 1 1 1 1 10 ASP HA . 10 . HA 1 1
66 1 2 1 1 13 CYS HB2 . 13 . HB2 1 1
67 1 1 1 1 10 ASP HA . 10 . HA 1 1
67 1 2 1 1 13 CYS HB3 . 13 . HB1 1 1
68 1 1 1 1 10 ASP HA . 10 . HA 1 1
68 1 2 1 1 14 GLU H . 14 . HN 1 1
69 1 1 1 1 10 ASP HB2 . 10 . HB2 1 1
69 1 2 1 1 11 TRP H . 11 . HN 1 1
70 1 1 1 1 10 ASP HB3 . 10 . HB1 1 1
70 1 2 1 1 11 TRP H . 11 . HN 1 1
71 1 1 1 1 11 TRP H . 11 . HN 1 1
71 1 2 1 1 11 TRP HA . 11 . HA 1 1
72 1 1 1 1 11 TRP H . 11 . HN 1 1
72 1 2 1 1 11 TRP HB2 . 11 . HB2 1 1
73 1 1 1 1 11 TRP H . 11 . HN 1 1
73 1 2 1 1 11 TRP HB3 . 11 . HB1 1 1
74 1 1 1 1 11 TRP H . 11 . HN 1 1
74 1 2 1 1 12 ILE H . 12 . HN 1 1
75 1 1 1 1 11 TRP HA . 11 . HA 1 1
75 1 2 1 1 12 ILE H . 12 . HN 1 1
76 1 1 1 1 11 TRP HA . 11 . HA 1 1
76 1 2 1 1 14 GLU H . 14 . HN 1 1
77 1 1 1 1 11 TRP HA . 11 . HA 1 1
77 1 2 1 1 14 GLU HB2 . 14 . HB2 1 1
78 1 1 1 1 11 TRP HA . 11 . HA 1 1
78 1 2 1 1 14 GLU HB3 . 14 . HB1 1 1
79 1 1 1 1 11 TRP HB2 . 11 . HB2 1 1
79 1 2 1 1 12 ILE H . 12 . HN 1 1
80 1 1 1 1 11 TRP HB3 . 11 . HB1 1 1
80 1 2 1 1 12 ILE H . 12 . HN 1 1
81 1 1 1 1 11 TRP HD1 . 11 . HD1 1 1
81 1 2 1 1 12 ILE HA . 12 . HA 1 1
82 1 1 1 1 11 TRP HD1 . 11 . HD1 1 1
82 1 2 1 1 12 ILE HB . 12 . HB 1 1
83 1 1 1 1 11 TRP HD1 . 11 . HD1 1 1
83 1 2 1 1 12 ILE QG . 12 . HG11 1 1
84 1 1 1 1 11 TRP HD1 . 11 . HD1 1 1
84 1 2 1 1 12 ILE MG . 12 . HG2# 1 1
85 1 1 1 1 11 TRP HZ3 . 11 . HZ3 1 1
85 1 2 1 1 12 ILE MD . 12 . HD1# 1 1
86 1 1 1 1 12 ILE H . 12 . HN 1 1
86 1 2 1 1 12 ILE HA . 12 . HA 1 1
87 1 1 1 1 12 ILE H . 12 . HN 1 1
87 1 2 1 1 12 ILE HB . 12 . HB 1 1
88 1 1 1 1 12 ILE H . 12 . HN 1 1
88 1 2 1 1 12 ILE MD . 12 . HD1# 1 1
89 1 1 1 1 12 ILE H . 12 . HN 1 1
89 1 2 1 1 13 CYS H . 13 . HN 1 1
90 1 1 1 1 12 ILE HA . 12 . HA 1 1
90 1 2 1 1 12 ILE HB . 12 . HB 1 1
91 1 1 1 1 12 ILE HA . 12 . HA 1 1
91 1 2 1 1 13 CYS H . 13 . HN 1 1
92 1 1 1 1 12 ILE HA . 12 . HA 1 1
92 1 2 1 1 15 VAL H . 15 . HN 1 1
93 1 1 1 1 12 ILE HA . 12 . HA 1 1
93 1 2 1 1 15 VAL HB . 15 . HB 1 1
94 1 1 1 1 12 ILE HB . 12 . HB 1 1
94 1 2 1 1 13 CYS H . 13 . HN 1 1
95 1 1 1 1 12 ILE MD . 12 . HD1# 1 1
95 1 2 1 1 13 CYS HA . 13 . HA 1 1
96 1 1 1 1 13 CYS H . 13 . HN 1 1
96 1 2 1 1 13 CYS HA . 13 . HA 1 1
97 1 1 1 1 13 CYS H . 13 . HN 1 1
97 1 2 1 1 13 CYS HB2 . 13 . HB2 1 1
98 1 1 1 1 13 CYS H . 13 . HN 1 1
98 1 2 1 1 13 CYS HB3 . 13 . HB1 1 1
99 1 1 1 1 13 CYS H . 13 . HN 1 1
99 1 2 1 1 14 GLU H . 14 . HN 1 1
100 1 1 1 1 13 CYS HA . 13 . HA 1 1
100 1 2 1 1 13 CYS HB2 . 13 . HB2 1 1
101 1 1 1 1 13 CYS HA . 13 . HA 1 1
101 1 2 1 1 13 CYS HB3 . 13 . HB1 1 1
102 1 1 1 1 13 CYS HA . 13 . HA 1 1
102 1 2 1 1 14 GLU H . 14 . HN 1 1
103 1 1 1 1 13 CYS HA . 13 . HA 1 1
103 1 2 1 1 16 LEU H . 16 . HN 1 1
104 1 1 1 1 13 CYS HA . 13 . HA 1 1
104 1 2 1 1 16 LEU HB2 . 16 . HB2 1 1
105 1 1 1 1 13 CYS HA . 13 . HA 1 1
105 1 2 1 1 16 LEU HB3 . 16 . HB1 1 1
106 1 1 1 1 13 CYS HB2 . 13 . HB2 1 1
106 1 2 1 1 14 GLU H . 14 . HN 1 1
107 1 1 1 1 13 CYS HB3 . 13 . HB1 1 1
107 1 2 1 1 14 GLU H . 14 . HN 1 1
108 1 1 1 1 14 GLU H . 14 . HN 1 1
108 1 2 1 1 14 GLU HB2 . 14 . HB2 1 1
109 1 1 1 1 14 GLU H . 14 . HN 1 1
109 1 2 1 1 14 GLU HB3 . 14 . HB1 1 1
110 1 1 1 1 14 GLU H . 14 . HN 1 1
110 1 2 1 1 15 VAL H . 15 . HN 1 1
111 1 1 1 1 14 GLU HA . 14 . HA 1 1
111 1 2 1 1 15 VAL H . 15 . HN 1 1
112 1 1 1 1 14 GLU HB2 . 14 . HB2 1 1
112 1 2 1 1 15 VAL H . 15 . HN 1 1
113 1 1 1 1 14 GLU HB3 . 14 . HB1 1 1
113 1 2 1 1 15 VAL H . 15 . HN 1 1
114 1 1 1 1 15 VAL H . 15 . HN 1 1
114 1 2 1 1 15 VAL HB . 15 . HB 1 1
115 1 1 1 1 15 VAL H . 15 . HN 1 1
115 1 2 1 1 16 LEU H . 16 . HN 1 1
116 1 1 1 1 15 VAL HA . 15 . HA 1 1
116 1 2 1 1 16 LEU H . 16 . HN 1 1
117 1 1 1 1 15 VAL HB . 15 . HB 1 1
117 1 2 1 1 16 LEU H . 16 . HN 1 1
118 1 1 1 1 16 LEU HA . 16 . HA 1 1
118 1 2 1 1 19 PHE H . 19 . HN 1 1
119 1 1 1 1 16 LEU HA . 16 . HA 1 1
119 1 2 1 1 19 PHE QB . 19 . HB# 1 1
120 1 1 1 1 17 SER H . 17 . HN 1 1
120 1 2 1 1 17 SER HA . 17 . HA 1 1
121 1 1 1 1 17 SER H . 17 . HN 1 1
121 1 2 1 1 17 SER QB . 17 . HB# 1 1
122 1 1 1 1 17 SER HA . 17 . HA 1 1
122 1 2 1 1 20 LYS H . 20 . HN 1 1
123 1 1 1 1 17 SER HA . 17 . HA 1 1
123 1 2 1 1 20 LYS HB3 . 20 . HB1 1 1
124 1 1 1 1 18 ASP H . 18 . HN 1 1
124 1 2 1 1 18 ASP HB2 . 18 . HB2 1 1
125 1 1 1 1 18 ASP H . 18 . HN 1 1
125 1 2 1 1 18 ASP HB3 . 18 . HB1 1 1
126 1 1 1 1 18 ASP H . 18 . HN 1 1
126 1 2 1 1 19 PHE H . 19 . HN 1 1
127 1 1 1 1 18 ASP HA . 18 . HA 1 1
127 1 2 1 1 21 THR HB . 21 . HB 1 1
128 1 1 1 1 18 ASP HA . 18 . HA 1 1
128 1 2 1 1 21 THR HG1 . 21 . HG# 1 1
128 1 2 1 1 21 THR MG . 21 . HG# 1 1
129 1 1 1 1 18 ASP HB2 . 18 . HB2 1 1
129 1 2 1 1 19 PHE H . 19 . HN 1 1
130 1 1 1 1 18 ASP HB3 . 18 . HB1 1 1
130 1 2 1 1 19 PHE H . 19 . HN 1 1
131 1 1 1 1 19 PHE H . 19 . HN 1 1
131 1 2 1 1 20 LYS H . 20 . HN 1 1
132 1 1 1 1 19 PHE HA . 19 . HA 1 1
132 1 2 1 1 19 PHE QD . 19 . HD# 1 1
133 1 1 1 1 19 PHE HA . 19 . HA 1 1
133 1 2 1 1 20 LYS H . 20 . HN 1 1
134 1 1 1 1 19 PHE HA . 19 . HA 1 1
134 1 2 1 1 22 TRP HB2 . 22 . HB2 1 1
135 1 1 1 1 19 PHE HA . 19 . HA 1 1
135 1 2 1 1 22 TRP HB3 . 22 . HB1 1 1
136 1 1 1 1 19 PHE QB . 19 . HB# 1 1
136 1 2 1 1 19 PHE QD . 19 . HD# 1 1
137 1 1 1 1 19 PHE QB . 19 . HB# 1 1
137 1 2 1 1 20 LYS H . 20 . HN 1 1
138 1 1 1 1 20 LYS H . 20 . HN 1 1
138 1 2 1 1 20 LYS HA . 20 . HA 1 1
139 1 1 1 1 20 LYS H . 20 . HN 1 1
139 1 2 1 1 20 LYS HB2 . 20 . HB2 1 1
140 1 1 1 1 20 LYS H . 20 . HN 1 1
140 1 2 1 1 20 LYS HB3 . 20 . HB1 1 1
141 1 1 1 1 20 LYS H . 20 . HN 1 1
141 1 2 1 1 20 LYS QD . 20 . HD# 1 1
142 1 1 1 1 20 LYS H . 20 . HN 1 1
142 1 2 1 1 21 THR H . 21 . HN 1 1
143 1 1 1 1 20 LYS HA . 20 . HA 1 1
143 1 2 1 1 23 LEU H . 23 . HN 1 1
144 1 1 1 1 20 LYS HA . 20 . HA 1 1
144 1 2 1 1 23 LEU QB . 23 . HB# 1 1
145 1 1 1 1 20 LYS HA . 20 . HA 1 1
145 1 2 1 1 23 LEU MD1 . 23 . HD1# 1 1
146 1 1 1 1 20 LYS HA . 20 . HA 1 1
146 1 2 1 1 23 LEU MD2 . 23 . HD2# 1 1
147 1 1 1 1 20 LYS HB3 . 20 . HB1 1 1
147 1 2 1 1 21 THR H . 21 . HN 1 1
148 1 1 1 1 20 LYS QD . 20 . HD# 1 1
148 1 2 1 1 21 THR H . 21 . HN 1 1
149 1 1 1 1 21 THR H . 21 . HN 1 1
149 1 2 1 1 21 THR HB . 21 . HB 1 1
150 1 1 1 1 21 THR HA . 21 . HA 1 1
150 1 2 1 1 21 THR MG . 21 . HG2# 1 1
151 1 1 1 1 21 THR HA . 21 . HA 1 1
151 1 2 1 1 22 TRP H . 22 . HN 1 1
152 1 1 1 1 21 THR HA . 21 . HA 1 1
152 1 2 1 1 24 LYS H . 24 . HN 1 1
153 1 1 1 1 21 THR HA . 21 . HA 1 1
153 1 2 1 1 24 LYS HB2 . 24 . HB2 1 1
154 1 1 1 1 21 THR HA . 21 . HA 1 1
154 1 2 1 1 24 LYS HB3 . 24 . HB1 1 1
155 1 1 1 1 22 TRP H . 22 . HN 1 1
155 1 2 1 1 22 TRP HB2 . 22 . HB2 1 1
156 1 1 1 1 22 TRP H . 22 . HN 1 1
156 1 2 1 1 22 TRP HB3 . 22 . HB1 1 1
157 1 1 1 1 22 TRP H . 22 . HN 1 1
157 1 2 1 1 23 LEU H . 23 . HN 1 1
158 1 1 1 1 22 TRP HA . 22 . HA 1 1
158 1 2 1 1 22 TRP HB2 . 22 . HB2 1 1
159 1 1 1 1 22 TRP HA . 22 . HA 1 1
159 1 2 1 1 22 TRP HB3 . 22 . HB1 1 1
160 1 1 1 1 22 TRP HA . 22 . HA 1 1
160 1 2 1 1 22 TRP HD1 . 22 . HD1 1 1
161 1 1 1 1 22 TRP HA . 22 . HA 1 1
161 1 2 1 1 23 LEU H . 23 . HN 1 1
162 1 1 1 1 22 TRP HA . 22 . HA 1 1
162 1 2 1 1 25 ALA H . 25 . HN 1 1
163 1 1 1 1 22 TRP HA . 22 . HA 1 1
163 1 2 1 1 25 ALA MB . 25 . HB# 1 1
164 1 1 1 1 22 TRP HB2 . 22 . HB2 1 1
164 1 2 1 1 22 TRP HD1 . 22 . HD1 1 1
165 1 1 1 1 22 TRP HB3 . 22 . HB1 1 1
165 1 2 1 1 22 TRP HD1 . 22 . HD1 1 1
166 1 1 1 1 22 TRP HB3 . 22 . HB1 1 1
166 1 2 1 1 22 TRP HE3 . 22 . HE3 1 1
167 1 1 1 1 22 TRP HB3 . 22 . HB1 1 1
167 1 2 1 1 22 TRP HZ3 . 22 . HZ3 1 1
168 1 1 1 1 22 TRP HE3 . 22 . HE3 1 1
168 1 2 1 1 23 LEU QB . 23 . HB# 1 1
169 1 1 1 1 22 TRP HE3 . 22 . HE3 1 1
169 1 2 1 1 23 LEU MD1 . 23 . HD1# 1 1
170 1 1 1 1 22 TRP HE3 . 22 . HE3 1 1
170 1 2 1 1 23 LEU MD2 . 23 . HD2# 1 1
171 1 1 1 1 22 TRP HH2 . 22 . HH2 1 1
171 1 2 1 1 23 LEU MD1 . 23 . HD1# 1 1
172 1 1 1 1 22 TRP HH2 . 22 . HH2 1 1
172 1 2 1 1 23 LEU MD2 . 23 . HD2# 1 1
173 1 1 1 1 22 TRP HZ3 . 22 . HZ3 1 1
173 1 2 1 1 23 LEU MD1 . 23 . HD1# 1 1
174 1 1 1 1 22 TRP HZ3 . 22 . HZ3 1 1
174 1 2 1 1 23 LEU MD2 . 23 . HD2# 1 1
175 1 1 1 1 23 LEU H . 23 . HN 1 1
175 1 2 1 1 23 LEU HA . 23 . HA 1 1
176 1 1 1 1 23 LEU H . 23 . HN 1 1
176 1 2 1 1 23 LEU QB . 23 . HB# 1 1
177 1 1 1 1 23 LEU H . 23 . HN 1 1
177 1 2 1 1 23 LEU MD1 . 23 . HD1# 1 1
178 1 1 1 1 23 LEU H . 23 . HN 1 1
178 1 2 1 1 23 LEU MD2 . 23 . HD2# 1 1
179 1 1 1 1 23 LEU H . 23 . HN 1 1
179 1 2 1 1 23 LEU HG . 23 . HG 1 1
180 1 1 1 1 23 LEU H . 23 . HN 1 1
180 1 2 1 1 24 LYS H . 24 . HN 1 1
181 1 1 1 1 23 LEU HA . 23 . HA 1 1
181 1 2 1 1 23 LEU HG . 23 . HG 1 1
182 1 1 1 1 23 LEU HA . 23 . HA 1 1
182 1 2 1 1 24 LYS H . 24 . HN 1 1
183 1 1 1 1 23 LEU HA . 23 . HA 1 1
183 1 2 1 1 26 LYS H . 26 . HN 1 1
184 1 1 1 1 23 LEU HA . 23 . HA 1 1
184 1 2 1 1 26 LYS QB . 26 . HB# 1 1
185 1 1 1 1 23 LEU HA . 23 . HA 1 1
185 1 2 1 1 27 LEU H . 27 . HN 1 1
186 1 1 1 1 24 LYS H . 24 . HN 1 1
186 1 2 1 1 24 LYS HA . 24 . HA 1 1
187 1 1 1 1 24 LYS H . 24 . HN 1 1
187 1 2 1 1 24 LYS QD . 24 . HD# 1 1
188 1 1 1 1 24 LYS H . 24 . HN 1 1
188 1 2 1 1 25 ALA H . 25 . HN 1 1
189 1 1 1 1 24 LYS HA . 24 . HA 1 1
189 1 2 1 1 24 LYS QD . 24 . HD# 1 1
190 1 1 1 1 24 LYS HA . 24 . HA 1 1
190 1 2 1 1 25 ALA H . 25 . HN 1 1
191 1 1 1 1 24 LYS HA . 24 . HA 1 1
191 1 2 1 1 26 LYS H . 26 . HN 1 1
192 1 1 1 1 24 LYS HA . 24 . HA 1 1
192 1 2 1 1 27 LEU H . 27 . HN 1 1
193 1 1 1 1 24 LYS HA . 24 . HA 1 1
193 1 2 1 1 27 LEU QB . 27 . HB# 1 1
194 1 1 1 1 24 LYS HA . 24 . HA 1 1
194 1 2 1 1 27 LEU QD . 27 . HD# 1 1
195 1 1 1 1 24 LYS HA . 24 . HA 1 1
195 1 2 1 1 28 MET H . 28 . HN 1 1
196 1 1 1 1 24 LYS QB . 24 . HB# 1 1
196 1 2 1 1 25 ALA H . 25 . HN 1 1
197 1 1 1 1 24 LYS QG . 24 . HG# 1 1
197 1 2 1 1 25 ALA H . 25 . HN 1 1
198 1 1 1 1 25 ALA H . 25 . HN 1 1
198 1 2 1 1 25 ALA HA . 25 . HA 1 1
199 1 1 1 1 25 ALA H . 25 . HN 1 1
199 1 2 1 1 25 ALA MB . 25 . HB# 1 1
200 1 1 1 1 26 LYS H . 26 . HN 1 1
200 1 2 1 1 26 LYS HA . 26 . HA 1 1
201 1 1 1 1 26 LYS H . 26 . HN 1 1
201 1 2 1 1 26 LYS HB2 . 26 . HB2 1 1
202 1 1 1 1 26 LYS H . 26 . HN 1 1
202 1 2 1 1 26 LYS HB3 . 26 . HB1 1 1
203 1 1 1 1 26 LYS H . 26 . HN 1 1
203 1 2 1 1 26 LYS QD . 26 . HD# 1 1
204 1 1 1 1 26 LYS H . 26 . HN 1 1
204 1 2 1 1 26 LYS QG . 26 . HG# 1 1
205 1 1 1 1 26 LYS H . 26 . HN 1 1
205 1 2 1 1 27 LEU H . 27 . HN 1 1
206 1 1 1 1 26 LYS HA . 26 . HA 1 1
206 1 2 1 1 27 LEU H . 27 . HN 1 1
207 1 1 1 1 26 LYS HB2 . 26 . HB2 1 1
207 1 2 1 1 27 LEU H . 27 . HN 1 1
208 1 1 1 1 26 LYS HB3 . 26 . HB1 1 1
208 1 2 1 1 27 LEU H . 27 . HN 1 1
209 1 1 1 1 27 LEU H . 27 . HN 1 1
209 1 2 1 1 27 LEU HA . 27 . HA 1 1
210 1 1 1 1 27 LEU H . 27 . HN 1 1
210 1 2 1 1 27 LEU MD1 . 27 . HD1# 1 1
211 1 1 1 1 27 LEU H . 27 . HN 1 1
211 1 2 1 1 27 LEU HG . 27 . HG# 1 1
212 1 1 1 1 27 LEU HA . 27 . HA 1 1
212 1 2 1 1 27 LEU MD1 . 27 . HD1# 1 1
213 1 1 1 1 27 LEU HA . 27 . HA 1 1
213 1 2 1 1 27 LEU HG . 27 . HG# 1 1
214 1 1 1 1 27 LEU HA . 27 . HA 1 1
214 1 2 1 1 28 MET H . 28 . HN 1 1
215 1 1 1 1 27 LEU QB . 27 . HB# 1 1
215 1 2 1 1 28 MET H . 28 . HN 1 1
216 1 1 1 1 27 LEU HG . 27 . HG# 1 1
216 1 2 1 1 28 MET H . 28 . HN 1 1
217 1 1 1 1 28 MET H . 28 . HN 1 1
217 1 2 1 1 28 MET HA . 28 . HA 1 1
218 1 1 1 1 28 MET H . 28 . HN 1 1
218 1 2 1 1 28 MET QB . 28 . HB# 1 1
219 1 1 1 1 28 MET H . 28 . HN 1 1
219 1 2 1 1 28 MET QG . 28 . HG# 1 1
220 1 1 1 1 28 MET H . 28 . HN 1 1
220 1 2 1 1 29 PRO QD . 29 . HD# 1 1
221 1 1 1 1 28 MET HA . 28 . HA 1 1
221 1 2 1 1 29 PRO QD . 29 . HD# 1 1
222 1 1 1 1 28 MET HA . 28 . HA 1 1
222 1 2 1 1 31 LEU QB . 31 . HB# 1 1
223 1 1 1 1 29 PRO HA . 29 . HA 1 1
223 1 2 1 1 29 PRO HB3 . 29 . HB1 1 1
224 1 1 1 1 29 PRO HA . 29 . HA 1 1
224 1 2 1 1 29 PRO QD . 29 . HD# 1 1
225 1 1 1 1 29 PRO HA . 29 . HA 1 1
225 1 2 1 1 30 GLN H . 30 . HN 1 1
226 1 1 1 1 30 GLN H . 30 . HN 1 1
226 1 2 1 1 30 GLN HA . 30 . HA 1 1
227 1 1 1 1 30 GLN H . 30 . HN 1 1
227 1 2 1 1 30 GLN HB2 . 30 . HB2 1 1
228 1 1 1 1 30 GLN H . 30 . HN 1 1
228 1 2 1 1 30 GLN HB3 . 30 . HB1 1 1
229 1 1 1 1 30 GLN HA . 30 . HA 1 1
229 1 2 1 1 31 LEU H . 31 . HN 1 1
230 1 1 1 1 31 LEU H . 31 . HN 1 1
230 1 2 1 1 31 LEU HA . 31 . HA 1 1
231 1 1 1 1 31 LEU H . 31 . HN 1 1
231 1 2 1 1 31 LEU QB . 31 . HB# 1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 3.9 1.8 4.29 1 1
2 1 . . . . . 5.0 1.8 5.5 1 1
3 1 . . . . . 3.9 1.8 4.29 1 1
4 1 . . . . . 5.0 1.8 5.5 1 1
5 1 . . . . . 3.9 1.8 5.29 1 1
6 1 . . . . . 5.0 1.8 5.5 1 1
7 1 . . . . . 3.9 1.8 5.29 1 1
8 1 . . . . . 2.8 1.8 3.08 1 1
9 1 . . . . . 5.0 1.8 6.5 1 1
10 1 . . . . . 5.0 1.8 6.5 1 1
11 1 . . . . . 3.9 1.8 4.29 1 1
12 1 . . . . . 3.9 1.8 4.29 1 1
13 1 . . . . . 3.9 1.8 4.29 1 1
14 1 . . . . . 3.9 1.8 5.29 1 1
15 1 . . . . . 5.0 1.8 6.5 1 1
16 1 . . . . . 5.0 1.8 6.5 1 1
17 1 . . . . . 5.0 1.8 6.5 1 1
18 1 . . . . . 5.0 1.8 6.5 1 1
19 1 . . . . . 3.9 1.8 4.29 1 1
20 1 . . . . . 3.9 1.8 4.29 1 1
21 1 . . . . . 3.9 1.8 5.29 1 1
22 1 . . . . . 2.8 1.8 3.08 1 1
23 1 . . . . . 3.9 1.8 5.29 1 1
24 1 . . . . . 3.9 1.8 4.29 1 1
25 1 . . . . . 3.9 1.8 4.29 1 1
26 1 . . . . . 3.9 1.8 4.29 1 1
27 1 . . . . . 3.9 1.8 4.29 1 1
28 1 . . . . . 3.9 1.8 4.29 1 1
29 1 . . . . . 3.9 1.8 4.29 1 1
30 1 . . . . . 2.8 1.8 3.08 1 1
31 1 . . . . . 2.8 1.8 3.08 1 1
32 1 . . . . . 2.8 1.8 3.08 1 1
33 1 . . . . . 3.9 1.8 4.29 1 1
34 1 . . . . . 5.0 1.8 5.5 1 1
35 1 . . . . . 3.9 1.8 4.29 1 1
36 1 . . . . . 3.9 1.8 4.29 1 1
37 1 . . . . . 2.8 1.8 3.08 1 1
38 1 . . . . . 3.9 1.8 4.29 1 1
39 1 . . . . . 3.9 1.8 4.29 1 1
40 1 . . . . . 3.9 1.8 4.29 1 1
41 1 . . . . . 3.9 1.8 4.29 1 1
42 1 . . . . . 3.9 1.8 4.29 1 1
43 1 . . . . . 3.9 1.8 4.29 1 1
44 1 . . . . . 5.0 1.8 5.5 1 1
45 1 . . . . . 5.0 1.8 6.5 1 1
46 1 . . . . . 2.8 0.7 4.08 1 1
47 1 . . . . . 2.8 0.7 3.08 1 1
48 1 . . . . . 2.8 1.8 3.08 1 1
49 1 . . . . . 3.9 1.8 4.29 1 1
50 1 . . . . . 3.9 1.8 4.29 1 1
51 1 . . . . . 3.9 1.8 4.29 1 1
52 1 . . . . . 3.9 1.8 4.29 1 1
53 1 . . . . . 3.9 1.8 4.29 1 1
54 1 . . . . . 3.9 1.8 4.29 1 1
55 1 . . . . . 5.0 1.8 5.5 1 1
56 1 . . . . . 5.0 1.8 5.5 1 1
57 1 . . . . . 5.0 1.8 5.5 1 1
58 1 . . . . . 2.8 1.8 3.08 1 1
59 1 . . . . . 3.9 1.8 4.29 1 1
60 1 . . . . . 3.9 1.8 4.29 1 1
61 1 . . . . . 2.8 1.8 3.08 1 1
62 1 . . . . . 2.8 1.8 3.08 1 1
63 1 . . . . . 2.8 1.8 3.08 1 1
64 1 . . . . . 3.9 1.8 4.29 1 1
65 1 . . . . . 3.9 1.8 4.29 1 1
66 1 . . . . . 3.9 1.8 4.29 1 1
67 1 . . . . . 3.9 1.8 4.29 1 1
68 1 . . . . . 3.9 1.8 4.29 1 1
69 1 . . . . . 3.9 1.8 4.29 1 1
70 1 . . . . . 3.9 1.8 4.29 1 1
71 1 . . . . . 2.8 1.8 3.08 1 1
72 1 . . . . . 3.9 1.8 4.29 1 1
73 1 . . . . . 3.9 1.8 4.29 1 1
74 1 . . . . . 2.8 1.8 3.08 1 1
75 1 . . . . . 3.9 1.8 4.29 1 1
76 1 . . . . . 5.0 1.8 5.5 1 1
77 1 . . . . . 3.9 1.8 4.29 1 1
78 1 . . . . . 3.9 1.8 4.29 1 1
79 1 . . . . . 3.9 1.8 4.29 1 1
80 1 . . . . . 3.9 1.8 4.29 1 1
81 1 . . . . . 5.0 1.8 5.5 1 1
82 1 . . . . . 3.9 1.8 4.29 1 1
83 1 . . . . . 5.0 1.8 5.5 1 1
84 1 . . . . . 5.0 1.8 6.5 1 1
85 1 . . . . . 5.0 1.8 6.5 1 1
86 1 . . . . . 2.8 1.8 3.08 1 1
87 1 . . . . . 3.9 1.8 4.29 1 1
88 1 . . . . . 5.0 1.8 6.5 1 1
89 1 . . . . . 2.8 1.8 3.08 1 1
90 1 . . . . . 2.8 1.8 3.08 1 1
91 1 . . . . . 3.9 1.8 4.29 1 1
92 1 . . . . . 3.9 1.8 4.29 1 1
93 1 . . . . . 3.9 1.8 4.29 1 1
94 1 . . . . . 3.9 1.8 4.29 1 1
95 1 . . . . . 5.0 1.8 6.5 1 1
96 1 . . . . . 2.8 1.8 3.08 1 1
97 1 . . . . . 2.8 1.8 3.08 1 1
98 1 . . . . . 2.8 1.8 3.08 1 1
99 1 . . . . . 2.8 1.8 3.08 1 1
100 1 . . . . . 2.8 1.8 3.08 1 1
101 1 . . . . . 2.8 1.8 3.08 1 1
102 1 . . . . . 3.9 1.8 4.29 1 1
103 1 . . . . . 3.9 1.8 4.29 1 1
104 1 . . . . . 3.9 1.8 4.29 1 1
105 1 . . . . . 3.9 1.8 4.29 1 1
106 1 . . . . . 5.0 1.8 5.5 1 1
107 1 . . . . . 5.0 1.8 5.5 1 1
108 1 . . . . . 3.9 1.8 4.29 1 1
109 1 . . . . . 3.9 1.8 4.29 1 1
110 1 . . . . . 2.8 1.8 3.08 1 1
111 1 . . . . . 3.9 1.8 4.29 1 1
112 1 . . . . . 5.0 1.8 5.5 1 1
113 1 . . . . . 3.9 1.8 4.29 1 1
114 1 . . . . . 3.9 1.8 4.29 1 1
115 1 . . . . . . 1.8 3.08 1 1
116 1 . . . . . 3.9 1.8 4.29 1 1
117 1 . . . . . 2.8 1.8 3.08 1 1
118 1 . . . . . 2.8 1.8 3.08 1 1
119 1 . . . . . 2.8 1.8 3.08 1 1
120 1 . . . . . 2.8 1.8 3.08 1 1
121 1 . . . . . 2.8 1.8 4.08 1 1
122 1 . . . . . 3.9 1.8 4.29 1 1
123 1 . . . . . 2.8 1.8 3.08 1 1
124 1 . . . . . 3.9 1.8 4.29 1 1
125 1 . . . . . 3.9 1.8 4.29 1 1
126 1 . . . . . 2.8 1.8 3.08 1 1
127 1 . . . . . 3.9 1.8 4.29 1 1
128 1 . . . . . 3.9 1.8 4.29 1 1
129 1 . . . . . 5.0 1.8 5.5 1 1
130 1 . . . . . 5.0 1.8 5.5 1 1
131 1 . . . . . 3.9 1.8 4.29 1 1
132 1 . . . . . 3.9 1.8 5.29 1 1
133 1 . . . . . 3.9 1.8 4.29 1 1
134 1 . . . . . 5.0 1.8 5.5 1 1
135 1 . . . . . 3.9 1.8 4.29 1 1
136 1 . . . . . 2.8 1.8 5.08 1 1
137 1 . . . . . 2.8 1.8 4.08 1 1
138 1 . . . . . 2.8 1.8 3.08 1 1
139 1 . . . . . 2.8 1.8 3.08 1 1
140 1 . . . . . 2.8 1.8 3.08 1 1
141 1 . . . . . 5.0 1.8 6.5 1 1
142 1 . . . . . 2.8 1.8 3.08 1 1
143 1 . . . . . 3.9 1.8 4.29 1 1
144 1 . . . . . 3.9 1.8 5.29 1 1
145 1 . . . . . 5.0 1.8 6.5 1 1
146 1 . . . . . 5.0 1.8 6.5 1 1
147 1 . . . . . 3.9 1.8 4.29 1 1
148 1 . . . . . 5.0 1.8 6.5 1 1
149 1 . . . . . 3.9 1.8 4.29 1 1
150 1 . . . . . 2.8 1.8 4.08 1 1
151 1 . . . . . 5.0 1.8 5.5 1 1
152 1 . . . . . 2.8 1.8 3.08 1 1
153 1 . . . . . 3.9 1.8 4.29 1 1
154 1 . . . . . 2.8 1.8 3.08 1 1
155 1 . . . . . 2.8 1.8 3.08 1 1
156 1 . . . . . 2.8 1.8 3.08 1 1
157 1 . . . . . 2.8 1.8 3.08 1 1
158 1 . . . . . 2.8 1.8 3.08 1 1
159 1 . . . . . 2.8 1.8 3.08 1 1
160 1 . . . . . 3.9 1.8 4.29 1 1
161 1 . . . . . 3.9 1.8 4.29 1 1
162 1 . . . . . 3.9 1.8 4.29 1 1
163 1 . . . . . 2.8 1.8 4.08 1 1
164 1 . . . . . 3.9 1.8 4.29 1 1
165 1 . . . . . 3.9 1.8 4.29 1 1
166 1 . . . . . 2.8 1.8 3.08 1 1
167 1 . . . . . 5.0 1.8 5.5 1 1
168 1 . . . . . 3.9 1.8 5.29 1 1
169 1 . . . . . 3.9 1.8 5.29 1 1
170 1 . . . . . 3.9 1.8 5.29 1 1
171 1 . . . . . 3.9 1.8 5.29 1 1
172 1 . . . . . 3.9 1.8 5.29 1 1
173 1 . . . . . 3.9 1.8 5.29 1 1
174 1 . . . . . 3.9 1.8 5.29 1 1
175 1 . . . . . 2.8 1.8 3.08 1 1
176 1 . . . . . 2.8 1.8 4.08 1 1
177 1 . . . . . 5.0 1.8 6.5 1 1
178 1 . . . . . 5.0 1.8 6.5 1 1
179 1 . . . . . 3.9 1.8 4.29 1 1
180 1 . . . . . 2.8 1.8 3.08 1 1
181 1 . . . . . 3.9 1.8 4.29 1 1
182 1 . . . . . 3.9 1.8 4.29 1 1
183 1 . . . . . 3.9 1.8 4.29 1 1
184 1 . . . . . 3.9 1.8 5.29 1 1
185 1 . . . . . 3.9 1.8 4.29 1 1
186 1 . . . . . 2.8 1.8 3.08 1 1
187 1 . . . . . 3.9 1.8 5.29 1 1
188 1 . . . . . 2.8 1.8 3.08 1 1
189 1 . . . . . 3.9 1.8 5.29 1 1
190 1 . . . . . 3.9 1.8 4.29 1 1
191 1 . . . . . 5.0 1.8 5.5 1 1
192 1 . . . . . 3.9 1.8 4.29 1 1
193 1 . . . . . 5.0 1.8 5.5 1 1
194 1 . . . . . 5.0 1.8 6.5 1 1
195 1 . . . . . 3.9 1.8 4.29 1 1
196 1 . . . . . 2.8 1.8 4.08 1 1
197 1 . . . . . 3.9 1.8 5.29 1 1
198 1 . . . . . 2.8 1.8 3.08 1 1
199 1 . . . . . 2.8 1.8 4.08 1 1
200 1 . . . . . 2.8 1.8 3.08 1 1
201 1 . . . . . 3.9 1.8 4.29 1 1
202 1 . . . . . 3.9 1.8 4.29 1 1
203 1 . . . . . 3.9 1.8 5.29 1 1
204 1 . . . . . 3.9 1.8 5.29 1 1
205 1 . . . . . 2.8 1.8 3.08 1 1
206 1 . . . . . 3.9 1.8 4.29 1 1
207 1 . . . . . 3.9 1.8 4.29 1 1
208 1 . . . . . 3.9 1.8 4.29 1 1
209 1 . . . . . 2.8 1.8 3.08 1 1
210 1 . . . . . 3.9 1.8 5.29 1 1
211 1 . . . . . 3.9 1.8 5.29 1 1
212 1 . . . . . 2.8 1.8 4.08 1 1
213 1 . . . . . 2.8 1.8 4.08 1 1
214 1 . . . . . 3.9 1.8 4.29 1 1
215 1 . . . . . 3.9 1.8 5.29 1 1
216 1 . . . . . 5.0 1.8 6.5 1 1
217 1 . . . . . 2.8 1.8 3.08 1 1
218 1 . . . . . 2.8 1.8 4.08 1 1
219 1 . . . . . 3.9 1.8 5.29 1 1
220 1 . . . . . 3.9 1.8 5.29 1 1
221 1 . . . . . 2.8 1.8 4.08 1 1
222 1 . . . . . 5.0 1.8 6.5 1 1
223 1 . . . . . 2.8 1.8 3.08 1 1
224 1 . . . . . 3.9 1.8 5.29 1 1
225 1 . . . . . 2.8 1.8 3.08 1 1
226 1 . . . . . 2.8 1.8 3.08 1 1
227 1 . . . . . 3.9 1.8 4.29 1 1
228 1 . . . . . 2.8 1.8 3.08 1 1
229 1 . . . . . 2.8 1.8 3.08 1 1
230 1 . . . . . 2.8 1.8 3.08 1 1
231 1 . . . . . 2.8 1.8 4.08 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 SER C C -23.015 -1.859 -5.822 1.00 . A A . 1 SER C 1 1
1 2 1 1 1 SER CA C -23.366 -3.080 -6.682 1.00 . A A . 1 SER CA 1 1
1 3 1 1 1 SER CB C -24.877 -3.158 -6.911 1.00 . A A . 1 SER CB 1 1
1 4 1 1 1 SER H1 H -21.979 -4.417 -5.877 1.00 . A A . 1 SER H1 1 1
1 5 1 1 1 SER H2 H -23.374 -5.161 -6.500 1.00 . A A . 1 SER H2 1 1
1 6 1 1 1 SER H3 H -23.438 -4.336 -5.015 1.00 . A A . 1 SER H3 1 1
1 7 1 1 1 SER HA H -22.854 -3.032 -7.630 1.00 . A A . 1 SER HA 1 1
1 8 1 1 1 SER HB2 H -25.382 -3.266 -5.965 1.00 . A A . 1 SER HB2 1 1
1 9 1 1 1 SER HB3 H -25.213 -2.250 -7.394 1.00 . A A . 1 SER HB3 1 1
1 10 1 1 1 SER HG H -26.010 -4.122 -8.167 1.00 . A A . 1 SER HG 1 1
1 11 1 1 1 SER N N -23.013 -4.344 -5.964 1.00 . A A . 1 SER N 1 1
1 12 1 1 1 SER O O -22.758 -1.976 -4.637 1.00 . A A . 1 SER O 1 1
1 13 1 1 1 SER OG O -25.170 -4.283 -7.729 1.00 . A A . 1 SER OG 1 1
1 14 1 1 2 GLY C C -21.157 0.605 -5.388 1.00 . A A . 2 GLY C 1 1
1 15 1 1 2 GLY CA C -22.667 0.546 -5.637 1.00 . A A . 2 GLY CA 1 1
1 16 1 1 2 GLY H H -23.210 -0.619 -7.367 1.00 . A A . 2 GLY H 1 1
1 17 1 1 2 GLY HA2 H -22.975 1.417 -6.198 1.00 . A A . 2 GLY HA2 1 1
1 18 1 1 2 GLY HA3 H -23.184 0.527 -4.689 1.00 . A A . 2 GLY HA3 1 1
1 19 1 1 2 GLY N N -23.001 -0.687 -6.412 1.00 . A A . 2 GLY N 1 1
1 20 1 1 2 GLY O O -20.369 0.154 -6.199 1.00 . A A . 2 GLY O 1 1
1 21 1 1 3 SER C C -18.978 0.589 -2.615 1.00 . A A . 3 SER C 1 1
1 22 1 1 3 SER CA C -19.288 1.242 -3.969 1.00 . A A . 3 SER CA 1 1
1 23 1 1 3 SER CB C -18.975 2.739 -3.937 1.00 . A A . 3 SER CB 1 1
1 24 1 1 3 SER H H -21.401 1.512 -3.633 1.00 . A A . 3 SER H 1 1
1 25 1 1 3 SER HA H -18.715 0.767 -4.749 1.00 . A A . 3 SER HA 1 1
1 26 1 1 3 SER HB2 H -19.832 3.281 -3.570 1.00 . A A . 3 SER HB2 1 1
1 27 1 1 3 SER HB3 H -18.132 2.917 -3.282 1.00 . A A . 3 SER HB3 1 1
1 28 1 1 3 SER HG H -19.155 3.989 -5.417 1.00 . A A . 3 SER HG 1 1
1 29 1 1 3 SER N N -20.749 1.156 -4.273 1.00 . A A . 3 SER N 1 1
1 30 1 1 3 SER O O -18.127 1.050 -1.877 1.00 . A A . 3 SER O 1 1
1 31 1 1 3 SER OG O -18.669 3.177 -5.255 1.00 . A A . 3 SER OG 1 1
1 32 1 1 4 TRP C C -17.975 -1.795 -1.016 1.00 . A A . 4 TRP C 1 1
1 33 1 1 4 TRP CA C -19.381 -1.183 -0.990 1.00 . A A . 4 TRP CA 1 1
1 34 1 1 4 TRP CB C -20.446 -2.279 -0.878 1.00 . A A . 4 TRP CB 1 1
1 35 1 1 4 TRP CD1 C -21.724 -2.037 1.290 1.00 . A A . 4 TRP CD1 1 1
1 36 1 1 4 TRP CD2 C -19.980 -3.447 1.469 1.00 . A A . 4 TRP CD2 1 1
1 37 1 1 4 TRP CE2 C -20.600 -3.404 2.740 1.00 . A A . 4 TRP CE2 1 1
1 38 1 1 4 TRP CE3 C -18.848 -4.268 1.311 1.00 . A A . 4 TRP CE3 1 1
1 39 1 1 4 TRP CG C -20.713 -2.570 0.565 1.00 . A A . 4 TRP CG 1 1
1 40 1 1 4 TRP CH2 C -18.989 -4.958 3.642 1.00 . A A . 4 TRP CH2 1 1
1 41 1 1 4 TRP CZ2 C -20.114 -4.148 3.816 1.00 . A A . 4 TRP CZ2 1 1
1 42 1 1 4 TRP CZ3 C -18.358 -5.018 2.392 1.00 . A A . 4 TRP CZ3 1 1
1 43 1 1 4 TRP H H -20.324 -0.853 -2.906 1.00 . A A . 4 TRP H 1 1
1 44 1 1 4 TRP HA H -19.474 -0.490 -0.168 1.00 . A A . 4 TRP HA 1 1
1 45 1 1 4 TRP HB2 H -21.357 -1.946 -1.353 1.00 . A A . 4 TRP HB2 1 1
1 46 1 1 4 TRP HB3 H -20.093 -3.176 -1.366 1.00 . A A . 4 TRP HB3 1 1
1 47 1 1 4 TRP HD1 H -22.462 -1.340 0.921 1.00 . A A . 4 TRP HD1 1 1
1 48 1 1 4 TRP HE1 H -22.275 -2.302 3.306 1.00 . A A . 4 TRP HE1 1 1
1 49 1 1 4 TRP HE3 H -18.354 -4.321 0.353 1.00 . A A . 4 TRP HE3 1 1
1 50 1 1 4 TRP HH2 H -18.607 -5.537 4.469 1.00 . A A . 4 TRP HH2 1 1
1 51 1 1 4 TRP HZ2 H -20.605 -4.098 4.777 1.00 . A A . 4 TRP HZ2 1 1
1 52 1 1 4 TRP HZ3 H -17.488 -5.645 2.260 1.00 . A A . 4 TRP HZ3 1 1
1 53 1 1 4 TRP N N -19.651 -0.492 -2.290 1.00 . A A . 4 TRP N 1 1
1 54 1 1 4 TRP NE1 N -21.657 -2.531 2.580 1.00 . A A . 4 TRP NE1 1 1
1 55 1 1 4 TRP O O -17.222 -1.681 -0.067 1.00 . A A . 4 TRP O 1 1
1 56 1 1 5 LEU C C -15.208 -1.930 -2.489 1.00 . A A . 5 LEU C 1 1
1 57 1 1 5 LEU CA C -16.249 -3.029 -2.212 1.00 . A A . 5 LEU CA 1 1
1 58 1 1 5 LEU CB C -16.325 -4.032 -3.376 1.00 . A A . 5 LEU CB 1 1
1 59 1 1 5 LEU CD1 C -15.089 -3.263 -5.416 1.00 . A A . 5 LEU CD1 1 1
1 60 1 1 5 LEU CD2 C -17.461 -4.024 -5.608 1.00 . A A . 5 LEU CD2 1 1
1 61 1 1 5 LEU CG C -16.451 -3.294 -4.717 1.00 . A A . 5 LEU CG 1 1
1 62 1 1 5 LEU H H -18.236 -2.492 -2.862 1.00 . A A . 5 LEU H 1 1
1 63 1 1 5 LEU HA H -16.003 -3.549 -1.299 1.00 . A A . 5 LEU HA 1 1
1 64 1 1 5 LEU HB2 H -15.430 -4.637 -3.383 1.00 . A A . 5 LEU HB2 1 1
1 65 1 1 5 LEU HB3 H -17.185 -4.671 -3.239 1.00 . A A . 5 LEU HB3 1 1
1 66 1 1 5 LEU HD11 H -15.019 -4.091 -6.107 1.00 . A A . 5 LEU HD11 1 1
1 67 1 1 5 LEU HD12 H -14.302 -3.341 -4.680 1.00 . A A . 5 LEU HD12 1 1
1 68 1 1 5 LEU HD13 H -14.984 -2.334 -5.957 1.00 . A A . 5 LEU HD13 1 1
1 69 1 1 5 LEU HD21 H -17.146 -3.956 -6.640 1.00 . A A . 5 LEU HD21 1 1
1 70 1 1 5 LEU HD22 H -18.434 -3.569 -5.498 1.00 . A A . 5 LEU HD22 1 1
1 71 1 1 5 LEU HD23 H -17.515 -5.063 -5.317 1.00 . A A . 5 LEU HD23 1 1
1 72 1 1 5 LEU HG H -16.788 -2.283 -4.543 1.00 . A A . 5 LEU HG 1 1
1 73 1 1 5 LEU N N -17.614 -2.427 -2.107 1.00 . A A . 5 LEU N 1 1
1 74 1 1 5 LEU O O -14.036 -2.100 -2.219 1.00 . A A . 5 LEU O 1 1
1 75 1 1 6 ARG C C -14.422 1.117 -2.013 1.00 . A A . 6 ARG C 1 1
1 76 1 1 6 ARG CA C -14.670 0.310 -3.294 1.00 . A A . 6 ARG CA 1 1
1 77 1 1 6 ARG CB C -15.357 1.181 -4.352 1.00 . A A . 6 ARG CB 1 1
1 78 1 1 6 ARG CD C -15.512 1.586 -6.817 1.00 . A A . 6 ARG CD 1 1
1 79 1 1 6 ARG CG C -15.169 0.555 -5.736 1.00 . A A . 6 ARG CG 1 1
1 80 1 1 6 ARG CZ C -17.634 1.112 -7.894 1.00 . A A . 6 ARG CZ 1 1
1 81 1 1 6 ARG H H -16.582 -0.683 -3.217 1.00 . A A . 6 ARG H 1 1
1 82 1 1 6 ARG HA H -13.742 -0.080 -3.680 1.00 . A A . 6 ARG HA 1 1
1 83 1 1 6 ARG HB2 H -16.412 1.252 -4.129 1.00 . A A . 6 ARG HB2 1 1
1 84 1 1 6 ARG HB3 H -14.920 2.168 -4.343 1.00 . A A . 6 ARG HB3 1 1
1 85 1 1 6 ARG HD2 H -15.123 2.558 -6.544 1.00 . A A . 6 ARG HD2 1 1
1 86 1 1 6 ARG HD3 H -15.115 1.276 -7.771 1.00 . A A . 6 ARG HD3 1 1
1 87 1 1 6 ARG HE H -17.510 2.022 -6.132 1.00 . A A . 6 ARG HE 1 1
1 88 1 1 6 ARG HG2 H -14.141 0.240 -5.852 1.00 . A A . 6 ARG HG2 1 1
1 89 1 1 6 ARG HG3 H -15.821 -0.300 -5.836 1.00 . A A . 6 ARG HG3 1 1
1 90 1 1 6 ARG HH11 H -16.952 -0.751 -7.597 1.00 . A A . 6 ARG HH11 1 1
1 91 1 1 6 ARG HH12 H -18.002 -0.548 -8.960 1.00 . A A . 6 ARG HH12 1 1
1 92 1 1 6 ARG HH21 H -18.466 2.855 -8.428 1.00 . A A . 6 ARG HH21 1 1
1 93 1 1 6 ARG HH22 H -18.862 1.500 -9.430 1.00 . A A . 6 ARG HH22 1 1
1 94 1 1 6 ARG N N -15.631 -0.802 -3.015 1.00 . A A . 6 ARG N 1 1
1 95 1 1 6 ARG NE N -17.003 1.616 -6.868 1.00 . A A . 6 ARG NE 1 1
1 96 1 1 6 ARG NH1 N -17.522 -0.162 -8.172 1.00 . A A . 6 ARG NH1 1 1
1 97 1 1 6 ARG NH2 N -18.379 1.881 -8.642 1.00 . A A . 6 ARG NH2 1 1
1 98 1 1 6 ARG O O -13.303 1.483 -1.709 1.00 . A A . 6 ARG O 1 1
1 99 1 1 7 ASP C C -14.354 1.443 0.964 1.00 . A A . 7 ASP C 1 1
1 100 1 1 7 ASP CA C -15.313 2.165 0.009 1.00 . A A . 7 ASP CA 1 1
1 101 1 1 7 ASP CB C -16.724 2.225 0.602 1.00 . A A . 7 ASP CB 1 1
1 102 1 1 7 ASP CG C -16.745 3.180 1.796 1.00 . A A . 7 ASP CG 1 1
1 103 1 1 7 ASP H H -16.354 1.075 -1.534 1.00 . A A . 7 ASP H 1 1
1 104 1 1 7 ASP HA H -14.958 3.162 -0.200 1.00 . A A . 7 ASP HA 1 1
1 105 1 1 7 ASP HB2 H -17.415 2.577 -0.150 1.00 . A A . 7 ASP HB2 1 1
1 106 1 1 7 ASP HB3 H -17.019 1.239 0.928 1.00 . A A . 7 ASP HB3 1 1
1 107 1 1 7 ASP N N -15.465 1.388 -1.261 1.00 . A A . 7 ASP N 1 1
1 108 1 1 7 ASP O O -13.408 2.024 1.461 1.00 . A A . 7 ASP O 1 1
1 109 1 1 7 ASP OD1 O -16.681 4.378 1.574 1.00 . A A . 7 ASP OD1 1 1
1 110 1 1 7 ASP OD2 O -16.828 2.695 2.912 1.00 . A A . 7 ASP OD2 1 1
1 111 1 1 8 ILE C C -12.266 -0.642 1.554 1.00 . A A . 8 ILE C 1 1
1 112 1 1 8 ILE CA C -13.690 -0.592 2.133 1.00 . A A . 8 ILE CA 1 1
1 113 1 1 8 ILE CB C -14.310 -1.997 2.233 1.00 . A A . 8 ILE CB 1 1
1 114 1 1 8 ILE CD1 C -14.634 -3.782 3.954 1.00 . A A . 8 ILE CD1 1 1
1 115 1 1 8 ILE CG1 C -13.644 -2.768 3.377 1.00 . A A . 8 ILE CG1 1 1
1 116 1 1 8 ILE CG2 C -14.114 -2.765 0.921 1.00 . A A . 8 ILE CG2 1 1
1 117 1 1 8 ILE H H -15.358 -0.269 0.799 1.00 . A A . 8 ILE H 1 1
1 118 1 1 8 ILE HA H -13.676 -0.130 3.108 1.00 . A A . 8 ILE HA 1 1
1 119 1 1 8 ILE HB H -15.368 -1.903 2.434 1.00 . A A . 8 ILE HB 1 1
1 120 1 1 8 ILE HD11 H -14.282 -4.122 4.916 1.00 . A A . 8 ILE HD11 1 1
1 121 1 1 8 ILE HD12 H -14.718 -4.625 3.283 1.00 . A A . 8 ILE HD12 1 1
1 122 1 1 8 ILE HD13 H -15.602 -3.316 4.068 1.00 . A A . 8 ILE HD13 1 1
1 123 1 1 8 ILE HG12 H -12.773 -3.286 3.003 1.00 . A A . 8 ILE HG12 1 1
1 124 1 1 8 ILE HG13 H -13.348 -2.078 4.153 1.00 . A A . 8 ILE HG13 1 1
1 125 1 1 8 ILE HG21 H -14.709 -3.666 0.940 1.00 . A A . 8 ILE HG21 1 1
1 126 1 1 8 ILE HG22 H -13.072 -3.023 0.807 1.00 . A A . 8 ILE HG22 1 1
1 127 1 1 8 ILE HG23 H -14.425 -2.147 0.092 1.00 . A A . 8 ILE HG23 1 1
1 128 1 1 8 ILE N N -14.591 0.176 1.217 1.00 . A A . 8 ILE N 1 1
1 129 1 1 8 ILE O O -11.294 -0.655 2.285 1.00 . A A . 8 ILE O 1 1
1 130 1 1 9 TRP C C -10.110 0.688 -0.208 1.00 . A A . 9 TRP C 1 1
1 131 1 1 9 TRP CA C -10.784 -0.679 -0.380 1.00 . A A . 9 TRP CA 1 1
1 132 1 1 9 TRP CB C -11.024 -0.983 -1.862 1.00 . A A . 9 TRP CB 1 1
1 133 1 1 9 TRP CD1 C -9.003 -2.239 -2.719 1.00 . A A . 9 TRP CD1 1 1
1 134 1 1 9 TRP CD2 C -8.934 -0.046 -3.219 1.00 . A A . 9 TRP CD2 1 1
1 135 1 1 9 TRP CE2 C -7.757 -0.621 -3.752 1.00 . A A . 9 TRP CE2 1 1
1 136 1 1 9 TRP CE3 C -9.138 1.334 -3.397 1.00 . A A . 9 TRP CE3 1 1
1 137 1 1 9 TRP CG C -9.709 -1.095 -2.569 1.00 . A A . 9 TRP CG 1 1
1 138 1 1 9 TRP CH2 C -7.032 1.516 -4.606 1.00 . A A . 9 TRP CH2 1 1
1 139 1 1 9 TRP CZ2 C -6.814 0.146 -4.438 1.00 . A A . 9 TRP CZ2 1 1
1 140 1 1 9 TRP CZ3 C -8.191 2.109 -4.087 1.00 . A A . 9 TRP CZ3 1 1
1 141 1 1 9 TRP H H -12.938 -0.627 -0.323 1.00 . A A . 9 TRP H 1 1
1 142 1 1 9 TRP HA H -10.180 -1.455 0.065 1.00 . A A . 9 TRP HA 1 1
1 143 1 1 9 TRP HB2 H -11.563 -1.913 -1.955 1.00 . A A . 9 TRP HB2 1 1
1 144 1 1 9 TRP HB3 H -11.603 -0.185 -2.303 1.00 . A A . 9 TRP HB3 1 1
1 145 1 1 9 TRP HD1 H -9.295 -3.211 -2.352 1.00 . A A . 9 TRP HD1 1 1
1 146 1 1 9 TRP HE1 H -7.158 -2.614 -3.664 1.00 . A A . 9 TRP HE1 1 1
1 147 1 1 9 TRP HE3 H -10.028 1.801 -3.000 1.00 . A A . 9 TRP HE3 1 1
1 148 1 1 9 TRP HH2 H -6.308 2.117 -5.136 1.00 . A A . 9 TRP HH2 1 1
1 149 1 1 9 TRP HZ2 H -5.923 -0.316 -4.836 1.00 . A A . 9 TRP HZ2 1 1
1 150 1 1 9 TRP HZ3 H -8.358 3.168 -4.218 1.00 . A A . 9 TRP HZ3 1 1
1 151 1 1 9 TRP N N -12.140 -0.652 0.246 1.00 . A A . 9 TRP N 1 1
1 152 1 1 9 TRP NE1 N -7.844 -1.958 -3.421 1.00 . A A . 9 TRP NE1 1 1
1 153 1 1 9 TRP O O -8.919 0.774 0.007 1.00 . A A . 9 TRP O 1 1
1 154 1 1 10 ASP C C -9.525 3.200 1.211 1.00 . A A . 10 ASP C 1 1
1 155 1 1 10 ASP CA C -10.278 3.122 -0.126 1.00 . A A . 10 ASP CA 1 1
1 156 1 1 10 ASP CB C -11.475 4.078 -0.131 1.00 . A A . 10 ASP CB 1 1
1 157 1 1 10 ASP CG C -11.007 5.485 -0.504 1.00 . A A . 10 ASP CG 1 1
1 158 1 1 10 ASP H H -11.832 1.659 -0.466 1.00 . A A . 10 ASP H 1 1
1 159 1 1 10 ASP HA H -9.616 3.351 -0.946 1.00 . A A . 10 ASP HA 1 1
1 160 1 1 10 ASP HB2 H -12.205 3.738 -0.851 1.00 . A A . 10 ASP HB2 1 1
1 161 1 1 10 ASP HB3 H -11.923 4.100 0.852 1.00 . A A . 10 ASP HB3 1 1
1 162 1 1 10 ASP N N -10.870 1.756 -0.295 1.00 . A A . 10 ASP N 1 1
1 163 1 1 10 ASP O O -8.414 3.692 1.281 1.00 . A A . 10 ASP O 1 1
1 164 1 1 10 ASP OD1 O -10.879 5.750 -1.687 1.00 . A A . 10 ASP OD1 1 1
1 165 1 1 10 ASP OD2 O -10.782 6.272 0.399 1.00 . A A . 10 ASP OD2 1 1
1 166 1 1 11 TRP C C -8.226 1.784 3.577 1.00 . A A . 11 TRP C 1 1
1 167 1 1 11 TRP CA C -9.449 2.714 3.600 1.00 . A A . 11 TRP CA 1 1
1 168 1 1 11 TRP CB C -10.512 2.205 4.586 1.00 . A A . 11 TRP CB 1 1
1 169 1 1 11 TRP CD1 C -9.692 2.780 6.910 1.00 . A A . 11 TRP CD1 1 1
1 170 1 1 11 TRP CD2 C -9.343 0.622 6.379 1.00 . A A . 11 TRP CD2 1 1
1 171 1 1 11 TRP CE2 C -8.840 0.804 7.688 1.00 . A A . 11 TRP CE2 1 1
1 172 1 1 11 TRP CE3 C -9.246 -0.659 5.803 1.00 . A A . 11 TRP CE3 1 1
1 173 1 1 11 TRP CG C -9.877 1.893 5.906 1.00 . A A . 11 TRP CG 1 1
1 174 1 1 11 TRP CH2 C -8.172 -1.511 7.815 1.00 . A A . 11 TRP CH2 1 1
1 175 1 1 11 TRP CZ2 C -8.261 -0.246 8.402 1.00 . A A . 11 TRP CZ2 1 1
1 176 1 1 11 TRP CZ3 C -8.664 -1.717 6.518 1.00 . A A . 11 TRP CZ3 1 1
1 177 1 1 11 TRP H H -11.013 2.295 2.174 1.00 . A A . 11 TRP H 1 1
1 178 1 1 11 TRP HA H -9.154 3.719 3.859 1.00 . A A . 11 TRP HA 1 1
1 179 1 1 11 TRP HB2 H -11.266 2.966 4.724 1.00 . A A . 11 TRP HB2 1 1
1 180 1 1 11 TRP HB3 H -10.972 1.312 4.189 1.00 . A A . 11 TRP HB3 1 1
1 181 1 1 11 TRP HD1 H -9.977 3.822 6.888 1.00 . A A . 11 TRP HD1 1 1
1 182 1 1 11 TRP HE1 H -8.830 2.554 8.819 1.00 . A A . 11 TRP HE1 1 1
1 183 1 1 11 TRP HE3 H -9.622 -0.828 4.805 1.00 . A A . 11 TRP HE3 1 1
1 184 1 1 11 TRP HH2 H -7.726 -2.329 8.360 1.00 . A A . 11 TRP HH2 1 1
1 185 1 1 11 TRP HZ2 H -7.884 -0.082 9.401 1.00 . A A . 11 TRP HZ2 1 1
1 186 1 1 11 TRP HZ3 H -8.594 -2.696 6.067 1.00 . A A . 11 TRP HZ3 1 1
1 187 1 1 11 TRP N N -10.123 2.697 2.265 1.00 . A A . 11 TRP N 1 1
1 188 1 1 11 TRP NE1 N -9.076 2.135 7.968 1.00 . A A . 11 TRP NE1 1 1
1 189 1 1 11 TRP O O -7.159 2.138 4.045 1.00 . A A . 11 TRP O 1 1
1 190 1 1 12 ILE C C -6.126 0.196 2.031 1.00 . A A . 12 ILE C 1 1
1 191 1 1 12 ILE CA C -7.220 -0.354 2.967 1.00 . A A . 12 ILE CA 1 1
1 192 1 1 12 ILE CB C -7.816 -1.683 2.453 1.00 . A A . 12 ILE CB 1 1
1 193 1 1 12 ILE CD1 C -8.243 -4.003 3.288 1.00 . A A . 12 ILE CD1 1 1
1 194 1 1 12 ILE CG1 C -7.243 -2.844 3.271 1.00 . A A . 12 ILE CG1 1 1
1 195 1 1 12 ILE CG2 C -7.486 -1.900 0.970 1.00 . A A . 12 ILE CG2 1 1
1 196 1 1 12 ILE H H -9.242 0.340 2.653 1.00 . A A . 12 ILE H 1 1
1 197 1 1 12 ILE HA H -6.814 -0.498 3.957 1.00 . A A . 12 ILE HA 1 1
1 198 1 1 12 ILE HB H -8.890 -1.659 2.574 1.00 . A A . 12 ILE HB 1 1
1 199 1 1 12 ILE HD11 H -8.497 -4.274 2.274 1.00 . A A . 12 ILE HD11 1 1
1 200 1 1 12 ILE HD12 H -9.136 -3.700 3.814 1.00 . A A . 12 ILE HD12 1 1
1 201 1 1 12 ILE HD13 H -7.801 -4.852 3.787 1.00 . A A . 12 ILE HD13 1 1
1 202 1 1 12 ILE HG12 H -6.315 -3.175 2.827 1.00 . A A . 12 ILE HG12 1 1
1 203 1 1 12 ILE HG13 H -7.060 -2.516 4.284 1.00 . A A . 12 ILE HG13 1 1
1 204 1 1 12 ILE HG21 H -7.937 -2.822 0.633 1.00 . A A . 12 ILE HG21 1 1
1 205 1 1 12 ILE HG22 H -6.415 -1.958 0.844 1.00 . A A . 12 ILE HG22 1 1
1 206 1 1 12 ILE HG23 H -7.873 -1.078 0.389 1.00 . A A . 12 ILE HG23 1 1
1 207 1 1 12 ILE N N -8.374 0.599 3.028 1.00 . A A . 12 ILE N 1 1
1 208 1 1 12 ILE O O -4.953 -0.064 2.222 1.00 . A A . 12 ILE O 1 1
1 209 1 1 13 CYS C C -4.608 2.548 0.846 1.00 . A A . 13 CYS C 1 1
1 210 1 1 13 CYS CA C -5.489 1.541 0.098 1.00 . A A . 13 CYS CA 1 1
1 211 1 1 13 CYS CB C -6.300 2.242 -0.996 1.00 . A A . 13 CYS CB 1 1
1 212 1 1 13 CYS H H -7.457 1.166 0.906 1.00 . A A . 13 CYS H 1 1
1 213 1 1 13 CYS HA H -4.885 0.758 -0.333 1.00 . A A . 13 CYS HA 1 1
1 214 1 1 13 CYS HB2 H -6.987 1.538 -1.442 1.00 . A A . 13 CYS HB2 1 1
1 215 1 1 13 CYS HB3 H -6.855 3.061 -0.563 1.00 . A A . 13 CYS HB3 1 1
1 216 1 1 13 CYS HG H -4.761 2.127 -2.696 1.00 . A A . 13 CYS HG 1 1
1 217 1 1 13 CYS N N -6.504 0.963 1.033 1.00 . A A . 13 CYS N 1 1
1 218 1 1 13 CYS O O -3.405 2.585 0.664 1.00 . A A . 13 CYS O 1 1
1 219 1 1 13 CYS SG S -5.178 2.878 -2.266 1.00 . A A . 13 CYS SG 1 1
1 220 1 1 14 GLU C C -3.445 3.635 3.428 1.00 . A A . 14 GLU C 1 1
1 221 1 1 14 GLU CA C -4.396 4.356 2.467 1.00 . A A . 14 GLU CA 1 1
1 222 1 1 14 GLU CB C -5.420 5.180 3.247 1.00 . A A . 14 GLU CB 1 1
1 223 1 1 14 GLU CD C -7.306 6.775 2.819 1.00 . A A . 14 GLU CD 1 1
1 224 1 1 14 GLU CG C -5.902 6.348 2.381 1.00 . A A . 14 GLU CG 1 1
1 225 1 1 14 GLU H H -6.168 3.302 1.826 1.00 . A A . 14 GLU H 1 1
1 226 1 1 14 GLU HA H -3.841 4.994 1.796 1.00 . A A . 14 GLU HA 1 1
1 227 1 1 14 GLU HB2 H -6.261 4.555 3.511 1.00 . A A . 14 GLU HB2 1 1
1 228 1 1 14 GLU HB3 H -4.963 5.566 4.145 1.00 . A A . 14 GLU HB3 1 1
1 229 1 1 14 GLU HG2 H -5.222 7.181 2.492 1.00 . A A . 14 GLU HG2 1 1
1 230 1 1 14 GLU HG3 H -5.928 6.041 1.346 1.00 . A A . 14 GLU HG3 1 1
1 231 1 1 14 GLU N N -5.198 3.357 1.693 1.00 . A A . 14 GLU N 1 1
1 232 1 1 14 GLU O O -2.301 4.017 3.580 1.00 . A A . 14 GLU O 1 1
1 233 1 1 14 GLU OE1 O -7.514 6.941 4.011 1.00 . A A . 14 GLU OE1 1 1
1 234 1 1 14 GLU OE2 O -8.150 6.937 1.954 1.00 . A A . 14 GLU OE2 1 1
1 235 1 1 15 VAL C C -1.865 1.184 4.242 1.00 . A A . 15 VAL C 1 1
1 236 1 1 15 VAL CA C -3.026 1.831 5.014 1.00 . A A . 15 VAL CA 1 1
1 237 1 1 15 VAL CB C -3.926 0.758 5.645 1.00 . A A . 15 VAL CB 1 1
1 238 1 1 15 VAL CG1 C -3.082 -0.178 6.516 1.00 . A A . 15 VAL CG1 1 1
1 239 1 1 15 VAL CG2 C -4.993 1.428 6.518 1.00 . A A . 15 VAL CG2 1 1
1 240 1 1 15 VAL H H -4.833 2.294 3.923 1.00 . A A . 15 VAL H 1 1
1 241 1 1 15 VAL HA H -2.646 2.489 5.780 1.00 . A A . 15 VAL HA 1 1
1 242 1 1 15 VAL HB H -4.405 0.186 4.863 1.00 . A A . 15 VAL HB 1 1
1 243 1 1 15 VAL HG11 H -3.717 -0.671 7.236 1.00 . A A . 15 VAL HG11 1 1
1 244 1 1 15 VAL HG12 H -2.327 0.396 7.034 1.00 . A A . 15 VAL HG12 1 1
1 245 1 1 15 VAL HG13 H -2.605 -0.918 5.891 1.00 . A A . 15 VAL HG13 1 1
1 246 1 1 15 VAL HG21 H -5.569 2.117 5.919 1.00 . A A . 15 VAL HG21 1 1
1 247 1 1 15 VAL HG22 H -4.514 1.965 7.324 1.00 . A A . 15 VAL HG22 1 1
1 248 1 1 15 VAL HG23 H -5.647 0.673 6.928 1.00 . A A . 15 VAL HG23 1 1
1 249 1 1 15 VAL N N -3.908 2.587 4.069 1.00 . A A . 15 VAL N 1 1
1 250 1 1 15 VAL O O -0.767 1.061 4.749 1.00 . A A . 15 VAL O 1 1
1 251 1 1 16 LEU C C -0.006 1.206 1.732 1.00 . A A . 16 LEU C 1 1
1 252 1 1 16 LEU CA C -1.015 0.146 2.205 1.00 . A A . 16 LEU CA 1 1
1 253 1 1 16 LEU CB C -1.730 -0.486 1.006 1.00 . A A . 16 LEU CB 1 1
1 254 1 1 16 LEU CD1 C -1.135 -2.912 1.163 1.00 . A A . 16 LEU CD1 1 1
1 255 1 1 16 LEU CD2 C -1.200 -1.782 -1.065 1.00 . A A . 16 LEU CD2 1 1
1 256 1 1 16 LEU CG C -0.862 -1.603 0.418 1.00 . A A . 16 LEU CG 1 1
1 257 1 1 16 LEU H H -2.996 0.894 2.629 1.00 . A A . 16 LEU H 1 1
1 258 1 1 16 LEU HA H -0.515 -0.618 2.778 1.00 . A A . 16 LEU HA 1 1
1 259 1 1 16 LEU HB2 H -2.677 -0.897 1.328 1.00 . A A . 16 LEU HB2 1 1
1 260 1 1 16 LEU HB3 H -1.903 0.267 0.253 1.00 . A A . 16 LEU HB3 1 1
1 261 1 1 16 LEU HD11 H -2.098 -3.301 0.866 1.00 . A A . 16 LEU HD11 1 1
1 262 1 1 16 LEU HD12 H -1.134 -2.727 2.227 1.00 . A A . 16 LEU HD12 1 1
1 263 1 1 16 LEU HD13 H -0.366 -3.631 0.921 1.00 . A A . 16 LEU HD13 1 1
1 264 1 1 16 LEU HD21 H -0.920 -0.892 -1.608 1.00 . A A . 16 LEU HD21 1 1
1 265 1 1 16 LEU HD22 H -2.261 -1.952 -1.175 1.00 . A A . 16 LEU HD22 1 1
1 266 1 1 16 LEU HD23 H -0.657 -2.629 -1.458 1.00 . A A . 16 LEU HD23 1 1
1 267 1 1 16 LEU HG H 0.181 -1.342 0.522 1.00 . A A . 16 LEU HG 1 1
1 268 1 1 16 LEU N N -2.102 0.778 3.017 1.00 . A A . 16 LEU N 1 1
1 269 1 1 16 LEU O O 1.144 0.900 1.477 1.00 . A A . 16 LEU O 1 1
1 270 1 1 17 SER C C 1.714 3.630 2.095 1.00 . A A . 17 SER C 1 1
1 271 1 1 17 SER CA C 0.504 3.528 1.154 1.00 . A A . 17 SER CA 1 1
1 272 1 1 17 SER CB C -0.322 4.817 1.198 1.00 . A A . 17 SER CB 1 1
1 273 1 1 17 SER H H -1.362 2.666 1.820 1.00 . A A . 17 SER H 1 1
1 274 1 1 17 SER HA H 0.830 3.337 0.144 1.00 . A A . 17 SER HA 1 1
1 275 1 1 17 SER HB2 H -1.270 4.656 0.711 1.00 . A A . 17 SER HB2 1 1
1 276 1 1 17 SER HB3 H -0.494 5.099 2.229 1.00 . A A . 17 SER HB3 1 1
1 277 1 1 17 SER HG H 1.036 6.212 1.126 1.00 . A A . 17 SER HG 1 1
1 278 1 1 17 SER N N -0.429 2.447 1.612 1.00 . A A . 17 SER N 1 1
1 279 1 1 17 SER O O 2.850 3.585 1.658 1.00 . A A . 17 SER O 1 1
1 280 1 1 17 SER OG O 0.382 5.852 0.521 1.00 . A A . 17 SER OG 1 1
1 281 1 1 18 ASP C C 3.489 2.603 4.268 1.00 . A A . 18 ASP C 1 1
1 282 1 1 18 ASP CA C 2.616 3.861 4.350 1.00 . A A . 18 ASP CA 1 1
1 283 1 1 18 ASP CB C 1.969 3.979 5.735 1.00 . A A . 18 ASP CB 1 1
1 284 1 1 18 ASP CG C 2.082 5.424 6.226 1.00 . A A . 18 ASP CG 1 1
1 285 1 1 18 ASP H H 0.553 3.793 3.707 1.00 . A A . 18 ASP H 1 1
1 286 1 1 18 ASP HA H 3.208 4.740 4.145 1.00 . A A . 18 ASP HA 1 1
1 287 1 1 18 ASP HB2 H 0.928 3.698 5.673 1.00 . A A . 18 ASP HB2 1 1
1 288 1 1 18 ASP HB3 H 2.478 3.326 6.428 1.00 . A A . 18 ASP HB3 1 1
1 289 1 1 18 ASP N N 1.478 3.763 3.381 1.00 . A A . 18 ASP N 1 1
1 290 1 1 18 ASP O O 4.702 2.679 4.326 1.00 . A A . 18 ASP O 1 1
1 291 1 1 18 ASP OD1 O 3.105 5.756 6.801 1.00 . A A . 18 ASP OD1 1 1
1 292 1 1 18 ASP OD2 O 1.143 6.173 6.014 1.00 . A A . 18 ASP OD2 1 1
1 293 1 1 19 PHE C C 4.612 0.258 2.804 1.00 . A A . 19 PHE C 1 1
1 294 1 1 19 PHE CA C 3.669 0.185 4.013 1.00 . A A . 19 PHE CA 1 1
1 295 1 1 19 PHE CB C 2.631 -0.926 3.821 1.00 . A A . 19 PHE CB 1 1
1 296 1 1 19 PHE CD1 C 1.425 -0.799 6.035 1.00 . A A . 19 PHE CD1 1 1
1 297 1 1 19 PHE CD2 C 2.746 -2.770 5.537 1.00 . A A . 19 PHE CD2 1 1
1 298 1 1 19 PHE CE1 C 1.080 -1.343 7.277 1.00 . A A . 19 PHE CE1 1 1
1 299 1 1 19 PHE CE2 C 2.400 -3.315 6.779 1.00 . A A . 19 PHE CE2 1 1
1 300 1 1 19 PHE CG C 2.259 -1.512 5.164 1.00 . A A . 19 PHE CG 1 1
1 301 1 1 19 PHE CZ C 1.567 -2.601 7.649 1.00 . A A . 19 PHE CZ 1 1
1 302 1 1 19 PHE H H 1.899 1.421 4.063 1.00 . A A . 19 PHE H 1 1
1 303 1 1 19 PHE HA H 4.230 0.016 4.918 1.00 . A A . 19 PHE HA 1 1
1 304 1 1 19 PHE HB2 H 1.749 -0.519 3.350 1.00 . A A . 19 PHE HB2 1 1
1 305 1 1 19 PHE HB3 H 3.047 -1.702 3.195 1.00 . A A . 19 PHE HB3 1 1
1 306 1 1 19 PHE HD1 H 1.049 0.172 5.749 1.00 . A A . 19 PHE HD1 1 1
1 307 1 1 19 PHE HD2 H 3.389 -3.320 4.866 1.00 . A A . 19 PHE HD2 1 1
1 308 1 1 19 PHE HE1 H 0.437 -0.793 7.949 1.00 . A A . 19 PHE HE1 1 1
1 309 1 1 19 PHE HE2 H 2.777 -4.286 7.067 1.00 . A A . 19 PHE HE2 1 1
1 310 1 1 19 PHE HZ H 1.301 -3.022 8.608 1.00 . A A . 19 PHE HZ 1 1
1 311 1 1 19 PHE N N 2.878 1.451 4.118 1.00 . A A . 19 PHE N 1 1
1 312 1 1 19 PHE O O 5.759 -0.140 2.879 1.00 . A A . 19 PHE O 1 1
1 313 1 1 20 LYS C C 6.135 1.906 0.738 1.00 . A A . 20 LYS C 1 1
1 314 1 1 20 LYS CA C 5.012 0.889 0.484 1.00 . A A . 20 LYS CA 1 1
1 315 1 1 20 LYS CB C 4.089 1.363 -0.646 1.00 . A A . 20 LYS CB 1 1
1 316 1 1 20 LYS CD C 4.834 0.254 -2.779 1.00 . A A . 20 LYS CD 1 1
1 317 1 1 20 LYS CE C 5.816 -0.794 -2.228 1.00 . A A . 20 LYS CE 1 1
1 318 1 1 20 LYS CG C 4.896 1.539 -1.940 1.00 . A A . 20 LYS CG 1 1
1 319 1 1 20 LYS H H 3.212 1.100 1.660 1.00 . A A . 20 LYS H 1 1
1 320 1 1 20 LYS HA H 5.430 -0.074 0.238 1.00 . A A . 20 LYS HA 1 1
1 321 1 1 20 LYS HB2 H 3.310 0.631 -0.804 1.00 . A A . 20 LYS HB2 1 1
1 322 1 1 20 LYS HB3 H 3.643 2.308 -0.372 1.00 . A A . 20 LYS HB3 1 1
1 323 1 1 20 LYS HD2 H 3.831 -0.145 -2.746 1.00 . A A . 20 LYS HD2 1 1
1 324 1 1 20 LYS HD3 H 5.094 0.482 -3.802 1.00 . A A . 20 LYS HD3 1 1
1 325 1 1 20 LYS HE2 H 5.561 -1.044 -1.208 1.00 . A A . 20 LYS HE2 1 1
1 326 1 1 20 LYS HE3 H 5.800 -1.679 -2.845 1.00 . A A . 20 LYS HE3 1 1
1 327 1 1 20 LYS HG2 H 4.480 2.358 -2.510 1.00 . A A . 20 LYS HG2 1 1
1 328 1 1 20 LYS HG3 H 5.924 1.760 -1.697 1.00 . A A . 20 LYS HG3 1 1
1 329 1 1 20 LYS HZ1 H 7.337 0.379 -1.412 1.00 . A A . 20 LYS HZ1 1 1
1 330 1 1 20 LYS HZ2 H 7.222 0.482 -3.105 1.00 . A A . 20 LYS HZ2 1 1
1 331 1 1 20 LYS HZ3 H 7.896 -0.897 -2.379 1.00 . A A . 20 LYS HZ3 1 1
1 332 1 1 20 LYS N N 4.139 0.777 1.693 1.00 . A A . 20 LYS N 1 1
1 333 1 1 20 LYS NZ N 7.169 -0.159 -2.286 1.00 . A A . 20 LYS NZ 1 1
1 334 1 1 20 LYS O O 7.256 1.712 0.309 1.00 . A A . 20 LYS O 1 1
1 335 1 1 21 THR C C 8.031 3.355 2.556 1.00 . A A . 21 THR C 1 1
1 336 1 1 21 THR CA C 6.906 3.999 1.735 1.00 . A A . 21 THR CA 1 1
1 337 1 1 21 THR CB C 6.202 5.096 2.546 1.00 . A A . 21 THR CB 1 1
1 338 1 1 21 THR CG2 C 7.206 6.189 2.923 1.00 . A A . 21 THR CG2 1 1
1 339 1 1 21 THR H H 4.936 3.109 1.782 1.00 . A A . 21 THR H 1 1
1 340 1 1 21 THR HA H 7.296 4.410 0.818 1.00 . A A . 21 THR HA 1 1
1 341 1 1 21 THR HB H 5.787 4.668 3.446 1.00 . A A . 21 THR HB 1 1
1 342 1 1 21 THR HG1 H 4.389 5.766 2.329 1.00 . A A . 21 THR HG1 1 1
1 343 1 1 21 THR HG21 H 8.023 5.753 3.478 1.00 . A A . 21 THR HG21 1 1
1 344 1 1 21 THR HG22 H 6.715 6.934 3.532 1.00 . A A . 21 THR HG22 1 1
1 345 1 1 21 THR HG23 H 7.587 6.654 2.025 1.00 . A A . 21 THR HG23 1 1
1 346 1 1 21 THR N N 5.847 2.979 1.441 1.00 . A A . 21 THR N 1 1
1 347 1 1 21 THR O O 9.192 3.680 2.395 1.00 . A A . 21 THR O 1 1
1 348 1 1 21 THR OG1 O 5.160 5.663 1.766 1.00 . A A . 21 THR OG1 1 1
1 349 1 1 22 TRP C C 9.578 0.828 3.357 1.00 . A A . 22 TRP C 1 1
1 350 1 1 22 TRP CA C 8.730 1.748 4.249 1.00 . A A . 22 TRP CA 1 1
1 351 1 1 22 TRP CB C 7.939 0.936 5.284 1.00 . A A . 22 TRP CB 1 1
1 352 1 1 22 TRP CD1 C 9.576 0.356 7.122 1.00 . A A . 22 TRP CD1 1 1
1 353 1 1 22 TRP CD2 C 9.182 -1.374 5.739 1.00 . A A . 22 TRP CD2 1 1
1 354 1 1 22 TRP CE2 C 10.105 -1.831 6.708 1.00 . A A . 22 TRP CE2 1 1
1 355 1 1 22 TRP CE3 C 8.764 -2.275 4.743 1.00 . A A . 22 TRP CE3 1 1
1 356 1 1 22 TRP CG C 8.862 0.019 6.025 1.00 . A A . 22 TRP CG 1 1
1 357 1 1 22 TRP CH2 C 10.172 -4.019 5.693 1.00 . A A . 22 TRP CH2 1 1
1 358 1 1 22 TRP CZ2 C 10.597 -3.136 6.690 1.00 . A A . 22 TRP CZ2 1 1
1 359 1 1 22 TRP CZ3 C 9.257 -3.589 4.722 1.00 . A A . 22 TRP CZ3 1 1
1 360 1 1 22 TRP H H 6.747 2.184 3.525 1.00 . A A . 22 TRP H 1 1
1 361 1 1 22 TRP HA H 9.355 2.473 4.747 1.00 . A A . 22 TRP HA 1 1
1 362 1 1 22 TRP HB2 H 7.466 1.609 5.983 1.00 . A A . 22 TRP HB2 1 1
1 363 1 1 22 TRP HB3 H 7.182 0.353 4.780 1.00 . A A . 22 TRP HB3 1 1
1 364 1 1 22 TRP HD1 H 9.571 1.323 7.603 1.00 . A A . 22 TRP HD1 1 1
1 365 1 1 22 TRP HE1 H 10.917 -0.761 8.300 1.00 . A A . 22 TRP HE1 1 1
1 366 1 1 22 TRP HE3 H 8.059 -1.954 3.990 1.00 . A A . 22 TRP HE3 1 1
1 367 1 1 22 TRP HH2 H 10.548 -5.031 5.671 1.00 . A A . 22 TRP HH2 1 1
1 368 1 1 22 TRP HZ2 H 11.301 -3.463 7.441 1.00 . A A . 22 TRP HZ2 1 1
1 369 1 1 22 TRP HZ3 H 8.931 -4.273 3.952 1.00 . A A . 22 TRP HZ3 1 1
1 370 1 1 22 TRP N N 7.691 2.433 3.425 1.00 . A A . 22 TRP N 1 1
1 371 1 1 22 TRP NE1 N 10.314 -0.740 7.528 1.00 . A A . 22 TRP NE1 1 1
1 372 1 1 22 TRP O O 10.781 0.738 3.513 1.00 . A A . 22 TRP O 1 1
1 373 1 1 23 LEU C C 10.421 0.039 0.410 1.00 . A A . 23 LEU C 1 1
1 374 1 1 23 LEU CA C 9.719 -0.764 1.515 1.00 . A A . 23 LEU CA 1 1
1 375 1 1 23 LEU CB C 8.669 -1.704 0.912 1.00 . A A . 23 LEU CB 1 1
1 376 1 1 23 LEU CD1 C 7.996 -4.110 0.813 1.00 . A A . 23 LEU CD1 1 1
1 377 1 1 23 LEU CD2 C 10.184 -3.386 -0.153 1.00 . A A . 23 LEU CD2 1 1
1 378 1 1 23 LEU CG C 9.175 -3.148 0.975 1.00 . A A . 23 LEU CG 1 1
1 379 1 1 23 LEU H H 7.986 0.244 2.317 1.00 . A A . 23 LEU H 1 1
1 380 1 1 23 LEU HA H 10.441 -1.334 2.079 1.00 . A A . 23 LEU HA 1 1
1 381 1 1 23 LEU HB2 H 7.748 -1.621 1.471 1.00 . A A . 23 LEU HB2 1 1
1 382 1 1 23 LEU HB3 H 8.491 -1.432 -0.117 1.00 . A A . 23 LEU HB3 1 1
1 383 1 1 23 LEU HD11 H 7.263 -3.914 1.582 1.00 . A A . 23 LEU HD11 1 1
1 384 1 1 23 LEU HD12 H 8.347 -5.127 0.901 1.00 . A A . 23 LEU HD12 1 1
1 385 1 1 23 LEU HD13 H 7.545 -3.968 -0.158 1.00 . A A . 23 LEU HD13 1 1
1 386 1 1 23 LEU HD21 H 9.684 -3.311 -1.107 1.00 . A A . 23 LEU HD21 1 1
1 387 1 1 23 LEU HD22 H 10.615 -4.371 -0.048 1.00 . A A . 23 LEU HD22 1 1
1 388 1 1 23 LEU HD23 H 10.967 -2.644 -0.098 1.00 . A A . 23 LEU HD23 1 1
1 389 1 1 23 LEU HG H 9.651 -3.321 1.930 1.00 . A A . 23 LEU HG 1 1
1 390 1 1 23 LEU N N 8.956 0.149 2.423 1.00 . A A . 23 LEU N 1 1
1 391 1 1 23 LEU O O 11.537 -0.261 0.033 1.00 . A A . 23 LEU O 1 1
1 392 1 1 24 LYS C C 11.593 2.675 -0.622 1.00 . A A . 24 LYS C 1 1
1 393 1 1 24 LYS CA C 10.409 1.881 -1.188 1.00 . A A . 24 LYS CA 1 1
1 394 1 1 24 LYS CB C 9.309 2.830 -1.676 1.00 . A A . 24 LYS CB 1 1
1 395 1 1 24 LYS CD C 9.734 4.965 -2.917 1.00 . A A . 24 LYS CD 1 1
1 396 1 1 24 LYS CE C 11.163 5.443 -2.630 1.00 . A A . 24 LYS CE 1 1
1 397 1 1 24 LYS CG C 9.714 3.437 -3.024 1.00 . A A . 24 LYS CG 1 1
1 398 1 1 24 LYS H H 8.876 1.282 0.213 1.00 . A A . 24 LYS H 1 1
1 399 1 1 24 LYS HA H 10.735 1.249 -1.998 1.00 . A A . 24 LYS HA 1 1
1 400 1 1 24 LYS HB2 H 8.386 2.280 -1.792 1.00 . A A . 24 LYS HB2 1 1
1 401 1 1 24 LYS HB3 H 9.169 3.620 -0.954 1.00 . A A . 24 LYS HB3 1 1
1 402 1 1 24 LYS HD2 H 9.390 5.393 -3.848 1.00 . A A . 24 LYS HD2 1 1
1 403 1 1 24 LYS HD3 H 9.084 5.279 -2.115 1.00 . A A . 24 LYS HD3 1 1
1 404 1 1 24 LYS HE2 H 11.435 5.215 -1.608 1.00 . A A . 24 LYS HE2 1 1
1 405 1 1 24 LYS HE3 H 11.858 4.986 -3.316 1.00 . A A . 24 LYS HE3 1 1
1 406 1 1 24 LYS HG2 H 10.697 3.081 -3.299 1.00 . A A . 24 LYS HG2 1 1
1 407 1 1 24 LYS HG3 H 9.001 3.142 -3.779 1.00 . A A . 24 LYS HG3 1 1
1 408 1 1 24 LYS HZ1 H 12.074 7.316 -2.658 1.00 . A A . 24 LYS HZ1 1 1
1 409 1 1 24 LYS HZ2 H 10.440 7.350 -2.193 1.00 . A A . 24 LYS HZ2 1 1
1 410 1 1 24 LYS HZ3 H 10.858 7.125 -3.825 1.00 . A A . 24 LYS HZ3 1 1
1 411 1 1 24 LYS N N 9.776 1.057 -0.110 1.00 . A A . 24 LYS N 1 1
1 412 1 1 24 LYS NZ N 11.131 6.920 -2.843 1.00 . A A . 24 LYS NZ 1 1
1 413 1 1 24 LYS O O 12.583 2.886 -1.297 1.00 . A A . 24 LYS O 1 1
1 414 1 1 25 ALA C C 13.900 3.039 1.268 1.00 . A A . 25 ALA C 1 1
1 415 1 1 25 ALA CA C 12.622 3.889 1.231 1.00 . A A . 25 ALA CA 1 1
1 416 1 1 25 ALA CB C 12.155 4.213 2.653 1.00 . A A . 25 ALA CB 1 1
1 417 1 1 25 ALA H H 10.689 2.928 1.137 1.00 . A A . 25 ALA H 1 1
1 418 1 1 25 ALA HA H 12.793 4.802 0.683 1.00 . A A . 25 ALA HA 1 1
1 419 1 1 25 ALA HB1 H 12.976 4.636 3.214 1.00 . A A . 25 ALA HB1 1 1
1 420 1 1 25 ALA HB2 H 11.817 3.308 3.137 1.00 . A A . 25 ALA HB2 1 1
1 421 1 1 25 ALA HB3 H 11.344 4.924 2.612 1.00 . A A . 25 ALA HB3 1 1
1 422 1 1 25 ALA N N 11.499 3.113 0.614 1.00 . A A . 25 ALA N 1 1
1 423 1 1 25 ALA O O 14.986 3.529 1.024 1.00 . A A . 25 ALA O 1 1
1 424 1 1 26 LYS C C 15.230 0.262 0.224 1.00 . A A . 26 LYS C 1 1
1 425 1 1 26 LYS CA C 14.975 0.879 1.617 1.00 . A A . 26 LYS CA 1 1
1 426 1 1 26 LYS CB C 14.629 -0.184 2.670 1.00 . A A . 26 LYS CB 1 1
1 427 1 1 26 LYS CD C 15.972 -0.770 4.699 1.00 . A A . 26 LYS CD 1 1
1 428 1 1 26 LYS CE C 16.412 0.636 5.124 1.00 . A A . 26 LYS CE 1 1
1 429 1 1 26 LYS CG C 15.914 -0.852 3.171 1.00 . A A . 26 LYS CG 1 1
1 430 1 1 26 LYS H H 12.886 1.396 1.758 1.00 . A A . 26 LYS H 1 1
1 431 1 1 26 LYS HA H 15.839 1.442 1.935 1.00 . A A . 26 LYS HA 1 1
1 432 1 1 26 LYS HB2 H 14.122 0.288 3.500 1.00 . A A . 26 LYS HB2 1 1
1 433 1 1 26 LYS HB3 H 13.982 -0.929 2.234 1.00 . A A . 26 LYS HB3 1 1
1 434 1 1 26 LYS HD2 H 14.993 -0.980 5.106 1.00 . A A . 26 LYS HD2 1 1
1 435 1 1 26 LYS HD3 H 16.679 -1.496 5.071 1.00 . A A . 26 LYS HD3 1 1
1 436 1 1 26 LYS HE2 H 16.274 1.333 4.309 1.00 . A A . 26 LYS HE2 1 1
1 437 1 1 26 LYS HE3 H 15.857 0.956 5.992 1.00 . A A . 26 LYS HE3 1 1
1 438 1 1 26 LYS HG2 H 15.924 -1.888 2.864 1.00 . A A . 26 LYS HG2 1 1
1 439 1 1 26 LYS HG3 H 16.770 -0.345 2.753 1.00 . A A . 26 LYS HG3 1 1
1 440 1 1 26 LYS HZ1 H 18.237 1.442 5.722 1.00 . A A . 26 LYS HZ1 1 1
1 441 1 1 26 LYS HZ2 H 18.380 0.143 4.636 1.00 . A A . 26 LYS HZ2 1 1
1 442 1 1 26 LYS HZ3 H 17.975 -0.144 6.263 1.00 . A A . 26 LYS HZ3 1 1
1 443 1 1 26 LYS N N 13.774 1.767 1.568 1.00 . A A . 26 LYS N 1 1
1 444 1 1 26 LYS NZ N 17.860 0.509 5.461 1.00 . A A . 26 LYS NZ 1 1
1 445 1 1 26 LYS O O 15.526 0.978 -0.714 1.00 . A A . 26 LYS O 1 1
1 446 1 1 27 LEU C C 16.788 -1.414 -1.753 1.00 . A A . 27 LEU C 1 1
1 447 1 1 27 LEU CA C 15.358 -1.693 -1.258 1.00 . A A . 27 LEU CA 1 1
1 448 1 1 27 LEU CB C 14.318 -1.069 -2.198 1.00 . A A . 27 LEU CB 1 1
1 449 1 1 27 LEU CD1 C 12.401 -2.615 -2.638 1.00 . A A . 27 LEU CD1 1 1
1 450 1 1 27 LEU CD2 C 13.615 -1.553 -4.547 1.00 . A A . 27 LEU CD2 1 1
1 451 1 1 27 LEU CG C 13.766 -2.141 -3.142 1.00 . A A . 27 LEU CG 1 1
1 452 1 1 27 LEU H H 14.883 -1.607 0.840 1.00 . A A . 27 LEU H 1 1
1 453 1 1 27 LEU HA H 15.192 -2.757 -1.187 1.00 . A A . 27 LEU HA 1 1
1 454 1 1 27 LEU HB2 H 13.509 -0.653 -1.614 1.00 . A A . 27 LEU HB2 1 1
1 455 1 1 27 LEU HB3 H 14.782 -0.286 -2.778 1.00 . A A . 27 LEU HB3 1 1
1 456 1 1 27 LEU HD11 H 12.498 -2.983 -1.628 1.00 . A A . 27 LEU HD11 1 1
1 457 1 1 27 LEU HD12 H 12.037 -3.407 -3.276 1.00 . A A . 27 LEU HD12 1 1
1 458 1 1 27 LEU HD13 H 11.705 -1.790 -2.656 1.00 . A A . 27 LEU HD13 1 1
1 459 1 1 27 LEU HD21 H 14.539 -1.077 -4.839 1.00 . A A . 27 LEU HD21 1 1
1 460 1 1 27 LEU HD22 H 12.818 -0.824 -4.548 1.00 . A A . 27 LEU HD22 1 1
1 461 1 1 27 LEU HD23 H 13.381 -2.344 -5.245 1.00 . A A . 27 LEU HD23 1 1
1 462 1 1 27 LEU HG H 14.448 -2.980 -3.172 1.00 . A A . 27 LEU HG 1 1
1 463 1 1 27 LEU N N 15.120 -1.047 0.076 1.00 . A A . 27 LEU N 1 1
1 464 1 1 27 LEU O O 17.631 -0.954 -1.004 1.00 . A A . 27 LEU O 1 1
1 465 1 1 28 MET C C 19.512 -2.085 -2.679 1.00 . A A . 28 MET C 1 1
1 466 1 1 28 MET CA C 18.432 -1.456 -3.578 1.00 . A A . 28 MET CA 1 1
1 467 1 1 28 MET CB C 18.588 0.070 -3.637 1.00 . A A . 28 MET CB 1 1
1 468 1 1 28 MET CE C 16.211 0.425 -6.932 1.00 . A A . 28 MET CE 1 1
1 469 1 1 28 MET CG C 17.526 0.669 -4.565 1.00 . A A . 28 MET CG 1 1
1 470 1 1 28 MET H H 16.362 -2.068 -3.585 1.00 . A A . 28 MET H 1 1
1 471 1 1 28 MET HA H 18.495 -1.866 -4.575 1.00 . A A . 28 MET HA 1 1
1 472 1 1 28 MET HB2 H 18.472 0.481 -2.644 1.00 . A A . 28 MET HB2 1 1
1 473 1 1 28 MET HB3 H 19.570 0.315 -4.013 1.00 . A A . 28 MET HB3 1 1
1 474 1 1 28 MET HE1 H 15.651 -0.491 -6.804 1.00 . A A . 28 MET HE1 1 1
1 475 1 1 28 MET HE2 H 16.263 0.669 -7.981 1.00 . A A . 28 MET HE2 1 1
1 476 1 1 28 MET HE3 H 15.721 1.230 -6.402 1.00 . A A . 28 MET HE3 1 1
1 477 1 1 28 MET HG2 H 16.552 0.295 -4.285 1.00 . A A . 28 MET HG2 1 1
1 478 1 1 28 MET HG3 H 17.537 1.745 -4.475 1.00 . A A . 28 MET HG3 1 1
1 479 1 1 28 MET N N 17.062 -1.695 -3.010 1.00 . A A . 28 MET N 1 1
1 480 1 1 28 MET O O 20.215 -1.386 -1.974 1.00 . A A . 28 MET O 1 1
1 481 1 1 28 MET SD S 17.883 0.202 -6.277 1.00 . A A . 28 MET SD 1 1
1 482 1 1 29 PRO C C 22.034 -3.884 -2.419 1.00 . A A . 29 PRO C 1 1
1 483 1 1 29 PRO CA C 20.605 -4.127 -1.907 1.00 . A A . 29 PRO CA 1 1
1 484 1 1 29 PRO CB C 20.203 -5.591 -2.074 1.00 . A A . 29 PRO CB 1 1
1 485 1 1 29 PRO CD C 18.799 -4.308 -3.556 1.00 . A A . 29 PRO CD 1 1
1 486 1 1 29 PRO CG C 19.469 -5.645 -3.376 1.00 . A A . 29 PRO CG 1 1
1 487 1 1 29 PRO HA H 20.522 -3.840 -0.871 1.00 . A A . 29 PRO HA 1 1
1 488 1 1 29 PRO HB2 H 21.082 -6.220 -2.108 1.00 . A A . 29 PRO HB2 1 1
1 489 1 1 29 PRO HB3 H 19.551 -5.897 -1.270 1.00 . A A . 29 PRO HB3 1 1
1 490 1 1 29 PRO HD2 H 18.826 -4.010 -4.596 1.00 . A A . 29 PRO HD2 1 1
1 491 1 1 29 PRO HD3 H 17.784 -4.339 -3.193 1.00 . A A . 29 PRO HD3 1 1
1 492 1 1 29 PRO HG2 H 20.165 -5.825 -4.183 1.00 . A A . 29 PRO HG2 1 1
1 493 1 1 29 PRO HG3 H 18.724 -6.424 -3.348 1.00 . A A . 29 PRO HG3 1 1
1 494 1 1 29 PRO N N 19.604 -3.394 -2.732 1.00 . A A . 29 PRO N 1 1
1 495 1 1 29 PRO O O 22.973 -3.828 -1.647 1.00 . A A . 29 PRO O 1 1
1 496 1 1 30 GLN C C 23.506 -2.464 -5.402 1.00 . A A . 30 GLN C 1 1
1 497 1 1 30 GLN CA C 23.572 -3.497 -4.269 1.00 . A A . 30 GLN CA 1 1
1 498 1 1 30 GLN CB C 24.035 -4.861 -4.795 1.00 . A A . 30 GLN CB 1 1
1 499 1 1 30 GLN CD C 25.451 -5.585 -6.729 1.00 . A A . 30 GLN CD 1 1
1 500 1 1 30 GLN CG C 25.408 -4.723 -5.464 1.00 . A A . 30 GLN CG 1 1
1 501 1 1 30 GLN H H 21.437 -3.786 -4.317 1.00 . A A . 30 GLN H 1 1
1 502 1 1 30 GLN HA H 24.239 -3.157 -3.492 1.00 . A A . 30 GLN HA 1 1
1 503 1 1 30 GLN HB2 H 24.106 -5.557 -3.971 1.00 . A A . 30 GLN HB2 1 1
1 504 1 1 30 GLN HB3 H 23.321 -5.230 -5.516 1.00 . A A . 30 GLN HB3 1 1
1 505 1 1 30 GLN HE21 H 26.934 -6.730 -6.072 1.00 . A A . 30 GLN HE21 1 1
1 506 1 1 30 GLN HE22 H 26.351 -7.113 -7.619 1.00 . A A . 30 GLN HE22 1 1
1 507 1 1 30 GLN HG2 H 25.579 -3.689 -5.728 1.00 . A A . 30 GLN HG2 1 1
1 508 1 1 30 GLN HG3 H 26.176 -5.051 -4.781 1.00 . A A . 30 GLN HG3 1 1
1 509 1 1 30 GLN N N 22.206 -3.738 -3.712 1.00 . A A . 30 GLN N 1 1
1 510 1 1 30 GLN NE2 N 26.318 -6.556 -6.813 1.00 . A A . 30 GLN NE2 1 1
1 511 1 1 30 GLN O O 24.016 -1.367 -5.273 1.00 . A A . 30 GLN O 1 1
1 512 1 1 30 GLN OE1 O 24.686 -5.373 -7.650 1.00 . A A . 30 GLN OE1 1 1
1 513 1 1 31 LEU C C 24.171 -1.398 -8.125 1.00 . A A . 31 LEU C 1 1
1 514 1 1 31 LEU CA C 22.774 -1.860 -7.664 1.00 . A A . 31 LEU CA 1 1
1 515 1 1 31 LEU CB C 21.940 -0.684 -7.134 1.00 . A A . 31 LEU CB 1 1
1 516 1 1 31 LEU CD1 C 19.962 -0.944 -8.646 1.00 . A A . 31 LEU CD1 1 1
1 517 1 1 31 LEU CD2 C 20.643 1.326 -7.851 1.00 . A A . 31 LEU CD2 1 1
1 518 1 1 31 LEU CG C 21.152 -0.051 -8.284 1.00 . A A . 31 LEU CG 1 1
1 519 1 1 31 LEU H H 22.483 -3.702 -6.580 1.00 . A A . 31 LEU H 1 1
1 520 1 1 31 LEU HA H 22.255 -2.334 -8.483 1.00 . A A . 31 LEU HA 1 1
1 521 1 1 31 LEU HB2 H 21.253 -1.041 -6.380 1.00 . A A . 31 LEU HB2 1 1
1 522 1 1 31 LEU HB3 H 22.596 0.056 -6.701 1.00 . A A . 31 LEU HB3 1 1
1 523 1 1 31 LEU HD11 H 20.299 -1.755 -9.274 1.00 . A A . 31 LEU HD11 1 1
1 524 1 1 31 LEU HD12 H 19.223 -0.362 -9.175 1.00 . A A . 31 LEU HD12 1 1
1 525 1 1 31 LEU HD13 H 19.525 -1.346 -7.743 1.00 . A A . 31 LEU HD13 1 1
1 526 1 1 31 LEU HD21 H 20.265 1.269 -6.841 1.00 . A A . 31 LEU HD21 1 1
1 527 1 1 31 LEU HD22 H 19.852 1.643 -8.515 1.00 . A A . 31 LEU HD22 1 1
1 528 1 1 31 LEU HD23 H 21.454 2.038 -7.892 1.00 . A A . 31 LEU HD23 1 1
1 529 1 1 31 LEU HG H 21.795 0.055 -9.145 1.00 . A A . 31 LEU HG 1 1
1 530 1 1 31 LEU N N 22.882 -2.811 -6.508 1.00 . A A . 31 LEU N 1 1
1 531 1 1 31 LEU O O 25.087 -2.204 -8.076 1.00 . A A . 31 LEU O 1 1
1 532 1 1 31 LEU OXT O 24.301 -0.251 -8.527 1.00 . A A . 31 LEU OXT 1 1
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