NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
380816 |
1ip0   |
4990 | cing | 4-filtered-FRED | STAR | entry | full | 484 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1ip0
# This FRED archive file contains, for PDB entry <1ip0>:
#
# - 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_1ip0
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1ip0
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all disulfide bound"
_Assembly.Molecular_mass 5909.83
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 $BETACELLULIN A . 1 1
stop_
save_
save_BETACELLULIN
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name BETACELLULIN
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code RKGHFSRCPKQYKHYCIKGRCRFVVAEQTPSCVCDEGYIGARCERVDLFY
_Entity.Number_of_monomers 50
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 ARG . 1 1
2 LYS . 1 1
3 GLY . 1 1
4 HIS . 1 1
5 PHE . 1 1
6 SER . 1 1
7 ARG . 1 1
8 CYS . 1 1
9 PRO . 1 1
10 LYS . 1 1
11 GLN . 1 1
12 TYR . 1 1
13 LYS . 1 1
14 HIS . 1 1
15 TYR . 1 1
16 CYS . 1 1
17 ILE . 1 1
18 LYS . 1 1
19 GLY . 1 1
20 ARG . 1 1
21 CYS . 1 1
22 ARG . 1 1
23 PHE . 1 1
24 VAL . 1 1
25 VAL . 1 1
26 ALA . 1 1
27 GLU . 1 1
28 GLN . 1 1
29 THR . 1 1
30 PRO . 1 1
31 SER . 1 1
32 CYS . 1 1
33 VAL . 1 1
34 CYS . 1 1
35 ASP . 1 1
36 GLU . 1 1
37 GLY . 1 1
38 TYR . 1 1
39 ILE . 1 1
40 GLY . 1 1
41 ALA . 1 1
42 ARG . 1 1
43 CYS . 1 1
44 GLU . 1 1
45 ARG . 1 1
46 VAL . 1 1
47 ASP . 1 1
48 LEU . 1 1
49 PHE . 1 1
50 TYR . 1 1
stop_
loop_
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
ARG 1 1 1 1
LYS 2 2 1 1
GLY 3 3 1 1
HIS 4 4 1 1
PHE 5 5 1 1
SER 6 6 1 1
ARG 7 7 1 1
CYS 8 8 1 1
PRO 9 9 1 1
LYS 10 10 1 1
GLN 11 11 1 1
TYR 12 12 1 1
LYS 13 13 1 1
HIS 14 14 1 1
TYR 15 15 1 1
CYS 16 16 1 1
ILE 17 17 1 1
LYS 18 18 1 1
GLY 19 19 1 1
ARG 20 20 1 1
CYS 21 21 1 1
ARG 22 22 1 1
PHE 23 23 1 1
VAL 24 24 1 1
VAL 25 25 1 1
ALA 26 26 1 1
GLU 27 27 1 1
GLN 28 28 1 1
THR 29 29 1 1
PRO 30 30 1 1
SER 31 31 1 1
CYS 32 32 1 1
VAL 33 33 1 1
CYS 34 34 1 1
ASP 35 35 1 1
GLU 36 36 1 1
GLY 37 37 1 1
TYR 38 38 1 1
ILE 39 39 1 1
GLY 40 40 1 1
ALA 41 41 1 1
ARG 42 42 1 1
CYS 43 43 1 1
GLU 44 44 1 1
ARG 45 45 1 1
VAL 46 46 1 1
ASP 47 47 1 1
LEU 48 48 1 1
PHE 49 49 1 1
TYR 50 50 1 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3_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
177 1 . . . 1 1
178 1 . . . 1 1
179 1 . . . 1 1
180 1 . . . 1 1
181 1 . . . 1 1
182 1 . . . 1 1
183 1 . . . 1 1
184 1 . . . 1 1
185 1 . . . 1 1
186 1 . . . 1 1
187 1 . . . 1 1
188 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 HIS HA . 4 . HA 1 1
1 1 2 1 1 4 HIS QB . 4 . HB* 1 1
2 1 1 1 1 5 PHE HA . 5 . HA 1 1
2 1 2 1 1 5 PHE HB3 . 5 . HB1 1 1
3 1 1 1 1 5 PHE HA . 5 . HA 1 1
3 1 2 1 1 5 PHE HB2 . 5 . HB2 1 1
4 1 1 1 1 5 PHE HA . 5 . HA 1 1
4 1 2 1 1 5 PHE HD1 . 5 . HD1 1 1
5 1 1 1 1 5 PHE HB2 . 5 . HB2 1 1
5 1 2 1 1 5 PHE HD2 . 5 . HD2 1 1
6 1 1 1 1 5 PHE HB3 . 5 . HB1 1 1
6 1 2 1 1 5 PHE HE1 . 5 . HE1 1 1
7 1 1 1 1 5 PHE HB3 . 5 . HB1 1 1
7 1 2 1 1 5 PHE HD1 . 5 . HD1 1 1
8 1 1 1 1 6 SER HA . 6 . HA 1 1
8 1 2 1 1 6 SER HB3 . 6 . HB1 1 1
9 1 1 1 1 6 SER HA . 6 . HA 1 1
9 1 2 1 1 6 SER HB2 . 6 . HB2 1 1
10 1 1 1 1 9 PRO QD . 9 . HD* 1 1
10 1 2 1 1 9 PRO QG . 9 . HG* 1 1
11 1 1 1 1 9 PRO HB2 . 9 . HB2 1 1
11 1 2 1 1 9 PRO QD . 9 . HD* 1 1
12 1 1 1 1 12 TYR HA . 12 . HA 1 1
12 1 2 1 1 12 TYR QD . 12 . HD2 1 1
13 1 1 1 1 12 TYR HA . 12 . HA 1 1
13 1 2 1 1 12 TYR QB . 12 . HB1 1 1
14 1 1 1 1 12 TYR QB . 12 . HB1 1 1
14 1 2 1 1 12 TYR QD . 12 . HD1 1 1
15 1 1 1 1 13 LYS QB . 13 . HB* 1 1
15 1 2 1 1 13 LYS QD . 13 . HD* 1 1
16 1 1 1 1 13 LYS QD . 13 . HD* 1 1
16 1 2 1 1 13 LYS QG . 13 . HG* 1 1
17 1 1 1 1 14 HIS HA . 14 . HA 1 1
17 1 2 1 1 14 HIS HB3 . 14 . HB1 1 1
18 1 1 1 1 14 HIS HA . 14 . HA 1 1
18 1 2 1 1 14 HIS HB2 . 14 . HB2 1 1
19 1 1 1 1 15 TYR HA . 15 . HA 1 1
19 1 2 1 1 15 TYR HD2 . 15 . HD1 1 1
20 1 1 1 1 15 TYR HB3 . 15 . HB1 1 1
20 1 2 1 1 15 TYR HD2 . 15 . HD1 1 1
21 1 1 1 1 15 TYR HB2 . 15 . HB2 1 1
21 1 2 1 1 15 TYR HD2 . 15 . HD1 1 1
22 1 1 1 1 15 TYR HB2 . 15 . HB2 1 1
22 1 2 1 1 15 TYR HD1 . 15 . HD2 1 1
23 1 1 1 1 16 CYS HA . 16 . HA 1 1
23 1 2 1 1 16 CYS HB3 . 16 . HB1 1 1
24 1 1 1 1 17 ILE HA . 17 . HA 1 1
24 1 2 1 1 17 ILE HB . 17 . HB 1 1
25 1 1 1 1 17 ILE HA . 17 . HA 1 1
25 1 2 1 1 17 ILE MG . 17 . HG2* 1 1
26 1 1 1 1 17 ILE HA . 17 . HA 1 1
26 1 2 1 1 17 ILE MD . 17 . HD1* 1 1
27 1 1 1 1 17 ILE HB . 17 . HB 1 1
27 1 2 1 1 17 ILE MG . 17 . HG2* 1 1
28 1 1 1 1 17 ILE HB . 17 . HB 1 1
28 1 2 1 1 17 ILE MD . 17 . HD1* 1 1
29 1 1 1 1 18 LYS HA . 18 . HA 1 1
29 1 2 1 1 18 LYS QG . 18 . HG* 1 1
30 1 1 1 1 20 ARG HA . 20 . HA 1 1
30 1 2 1 1 20 ARG QB . 20 . HB* 1 1
31 1 1 1 1 20 ARG HA . 20 . HA 1 1
31 1 2 1 1 20 ARG QG . 20 . HG* 1 1
32 1 1 1 1 20 ARG QB . 20 . HB* 1 1
32 1 2 1 1 20 ARG QD . 20 . HD* 1 1
33 1 1 1 1 21 CYS HA . 21 . HA 1 1
33 1 2 1 1 21 CYS HB2 . 21 . HB2 1 1
34 1 1 1 1 22 ARG HA . 22 . HA 1 1
34 1 2 1 1 22 ARG QB . 22 . HB* 1 1
35 1 1 1 1 23 PHE HA . 23 . HA 1 1
35 1 2 1 1 23 PHE HD1 . 23 . HD1 1 1
36 1 1 1 1 23 PHE HB3 . 23 . HB1 1 1
36 1 2 1 1 23 PHE HD2 . 23 . HD2 1 1
37 1 1 1 1 23 PHE HB2 . 23 . HB2 1 1
37 1 2 1 1 23 PHE HD2 . 23 . HD2 1 1
38 1 1 1 1 23 PHE HA . 23 . HA 1 1
38 1 2 1 1 23 PHE HB2 . 23 . HB2 1 1
39 1 1 1 1 23 PHE HA . 23 . HA 1 1
39 1 2 1 1 23 PHE HE1 . 23 . HE1 1 1
40 1 1 1 1 24 VAL HA . 24 . HA 1 1
40 1 2 1 1 24 VAL HB . 24 . HB 1 1
41 1 1 1 1 24 VAL HA . 24 . HA 1 1
41 1 2 1 1 24 VAL MG1 . 24 . HG1* 1 1
42 1 1 1 1 24 VAL HA . 24 . HA 1 1
42 1 2 1 1 24 VAL MG2 . 24 . HG2* 1 1
43 1 1 1 1 24 VAL HB . 24 . HB 1 1
43 1 2 1 1 24 VAL MG1 . 24 . HG1* 1 1
44 1 1 1 1 24 VAL HB . 24 . HB 1 1
44 1 2 1 1 24 VAL MG2 . 24 . HG2* 1 1
45 1 1 1 1 25 VAL HA . 25 . HA 1 1
45 1 2 1 1 25 VAL MG1 . 25 . HG1* 1 1
46 1 1 1 1 27 GLU HA . 27 . HA 1 1
46 1 2 1 1 27 GLU QG . 27 . HG* 1 1
47 1 1 1 1 27 GLU HA . 27 . HA 1 1
47 1 2 1 1 27 GLU QB . 27 . HB* 1 1
48 1 1 1 1 28 GLN HA . 28 . HA 1 1
48 1 2 1 1 28 GLN QG . 28 . HG* 1 1
49 1 1 1 1 29 THR HA . 29 . HA 1 1
49 1 2 1 1 29 THR MG . 29 . HG2* 1 1
50 1 1 1 1 29 THR HB . 29 . HB 1 1
50 1 2 1 1 29 THR MG . 29 . HG2* 1 1
51 1 1 1 1 31 SER HA . 31 . HA 1 1
51 1 2 1 1 31 SER QB . 31 . HB* 1 1
52 1 1 1 1 32 CYS HA . 32 . HA 1 1
52 1 2 1 1 32 CYS HB2 . 32 . HB2 1 1
53 1 1 1 1 33 VAL HA . 33 . HA 1 1
53 1 2 1 1 33 VAL MG1 . 33 . HG1* 1 1
54 1 1 1 1 33 VAL HA . 33 . HA 1 1
54 1 2 1 1 33 VAL MG2 . 33 . HG2* 1 1
55 1 1 1 1 33 VAL MG1 . 33 . HG1* 1 1
55 1 2 1 1 33 VAL MG2 . 33 . HG2* 1 1
56 1 1 1 1 34 CYS HA . 34 . HA 1 1
56 1 2 1 1 34 CYS HB3 . 34 . HB1 1 1
57 1 1 1 1 35 ASP HA . 35 . HA 1 1
57 1 2 1 1 35 ASP HB3 . 35 . HB1 1 1
58 1 1 1 1 38 TYR HA . 38 . HA 1 1
58 1 2 1 1 38 TYR HB3 . 38 . HB1 1 1
59 1 1 1 1 38 TYR HA . 38 . HA 1 1
59 1 2 1 1 38 TYR HB2 . 38 . HB2 1 1
60 1 1 1 1 38 TYR HA . 38 . HA 1 1
60 1 2 1 1 38 TYR HD1 . 38 . HD2 1 1
61 1 1 1 1 38 TYR HB2 . 38 . HB2 1 1
61 1 2 1 1 38 TYR HD2 . 38 . HD1 1 1
62 1 1 1 1 39 ILE HB . 39 . HB 1 1
62 1 2 1 1 39 ILE QG . 39 . HG1* 1 1
63 1 1 1 1 39 ILE MD . 39 . HD1* 1 1
63 1 2 1 1 39 ILE QG . 39 . HG1* 1 1
64 1 1 1 1 42 ARG HB2 . 42 . HB2 1 1
64 1 2 1 1 42 ARG QG . 42 . HG* 1 1
65 1 1 1 1 42 ARG HB3 . 42 . HB1 1 1
65 1 2 1 1 42 ARG QG . 42 . HG* 1 1
66 1 1 1 1 42 ARG HA . 42 . HA 1 1
66 1 2 1 1 42 ARG QG . 42 . HG* 1 1
67 1 1 1 1 45 ARG HA . 45 . HA 1 1
67 1 2 1 1 45 ARG QB . 45 . HB* 1 1
68 1 1 1 1 45 ARG HA . 45 . HA 1 1
68 1 2 1 1 45 ARG QG . 45 . HG* 1 1
69 1 1 1 1 46 VAL HA . 46 . HA 1 1
69 1 2 1 1 46 VAL MG1 . 46 . HG1* 1 1
70 1 1 1 1 46 VAL HA . 46 . HA 1 1
70 1 2 1 1 46 VAL MG2 . 46 . HG2* 1 1
71 1 1 1 1 46 VAL HB . 46 . HB 1 1
71 1 2 1 1 46 VAL MG2 . 46 . HG2* 1 1
72 1 1 1 1 46 VAL HB . 46 . HB 1 1
72 1 2 1 1 46 VAL MG1 . 46 . HG1* 1 1
73 1 1 1 1 47 ASP HA . 47 . HA 1 1
73 1 2 1 1 47 ASP HB2 . 47 . HB2 1 1
74 1 1 1 1 48 LEU HA . 48 . HA 1 1
74 1 2 1 1 48 LEU QB . 48 . HB* 1 1
75 1 1 1 1 48 LEU HA . 48 . HA 1 1
75 1 2 1 1 48 LEU MD2 . 48 . HD2* 1 1
76 1 1 1 1 50 TYR HA . 50 . HA 1 1
76 1 2 1 1 50 TYR HB3 . 50 . HB1 1 1
77 1 1 1 1 4 HIS H . 4 . HN 1 1
77 1 2 1 1 4 HIS HA . 4 . HA 1 1
78 1 1 1 1 4 HIS H . 4 . HN 1 1
78 1 2 1 1 4 HIS QB . 4 . HB* 1 1
79 1 1 1 1 5 PHE H . 5 . HN 1 1
79 1 2 1 1 5 PHE HA . 5 . HA 1 1
80 1 1 1 1 5 PHE H . 5 . HN 1 1
80 1 2 1 1 5 PHE HB3 . 5 . HB1 1 1
81 1 1 1 1 5 PHE H . 5 . HN 1 1
81 1 2 1 1 5 PHE HB2 . 5 . HB2 1 1
82 1 1 1 1 5 PHE H . 5 . HN 1 1
82 1 2 1 1 5 PHE HD2 . 5 . HD2 1 1
83 1 1 1 1 6 SER H . 6 . HN 1 1
83 1 2 1 1 6 SER HA . 6 . HA 1 1
84 1 1 1 1 6 SER H . 6 . HN 1 1
84 1 2 1 1 6 SER HB3 . 6 . HB1 1 1
85 1 1 1 1 6 SER H . 6 . HN 1 1
85 1 2 1 1 6 SER HB2 . 6 . HB2 1 1
86 1 1 1 1 7 ARG H . 7 . HN 1 1
86 1 2 1 1 7 ARG HA . 7 . HA 1 1
87 1 1 1 1 7 ARG H . 7 . HN 1 1
87 1 2 1 1 7 ARG QB . 7 . HB* 1 1
88 1 1 1 1 7 ARG H . 7 . HN 1 1
88 1 2 1 1 7 ARG QG . 7 . HG* 1 1
89 1 1 1 1 8 CYS H . 8 . HN 1 1
89 1 2 1 1 8 CYS HA . 8 . HA 1 1
90 1 1 1 1 8 CYS H . 8 . HN 1 1
90 1 2 1 1 8 CYS HB3 . 8 . HB1 1 1
91 1 1 1 1 8 CYS H . 8 . HN 1 1
91 1 2 1 1 8 CYS HB2 . 8 . HB2 1 1
92 1 1 1 1 10 LYS H . 10 . HN 1 1
92 1 2 1 1 10 LYS HA . 10 . HA 1 1
93 1 1 1 1 11 GLN H . 11 . HN 1 1
93 1 2 1 1 11 GLN HA . 11 . HA 1 1
94 1 1 1 1 11 GLN H . 11 . HN 1 1
94 1 2 1 1 11 GLN QB . 11 . HB* 1 1
95 1 1 1 1 11 GLN H . 11 . HN 1 1
95 1 2 1 1 11 GLN QG . 11 . HG* 1 1
96 1 1 1 1 12 TYR H . 12 . HN 1 1
96 1 2 1 1 12 TYR HA . 12 . HA 1 1
97 1 1 1 1 12 TYR H . 12 . HN 1 1
97 1 2 1 1 12 TYR QB . 12 . HB1 1 1
98 1 1 1 1 13 LYS H . 13 . HN 1 1
98 1 2 1 1 13 LYS HA . 13 . HA 1 1
99 1 1 1 1 13 LYS H . 13 . HN 1 1
99 1 2 1 1 13 LYS QB . 13 . HB* 1 1
100 1 1 1 1 13 LYS H . 13 . HN 1 1
100 1 2 1 1 13 LYS QD . 13 . HD* 1 1
101 1 1 1 1 13 LYS H . 13 . HN 1 1
101 1 2 1 1 13 LYS QG . 13 . HG* 1 1
102 1 1 1 1 14 HIS H . 14 . HN 1 1
102 1 2 1 1 14 HIS HB3 . 14 . HB1 1 1
103 1 1 1 1 14 HIS H . 14 . HN 1 1
103 1 2 1 1 14 HIS HB2 . 14 . HB2 1 1
104 1 1 1 1 15 TYR H . 15 . HN 1 1
104 1 2 1 1 15 TYR HA . 15 . HA 1 1
105 1 1 1 1 15 TYR H . 15 . HN 1 1
105 1 2 1 1 15 TYR HB3 . 15 . HB1 1 1
106 1 1 1 1 15 TYR H . 15 . HN 1 1
106 1 2 1 1 15 TYR HB2 . 15 . HB2 1 1
107 1 1 1 1 15 TYR H . 15 . HN 1 1
107 1 2 1 1 15 TYR HD2 . 15 . HD1 1 1
108 1 1 1 1 16 CYS H . 16 . HN 1 1
108 1 2 1 1 16 CYS HA . 16 . HA 1 1
109 1 1 1 1 16 CYS H . 16 . HN 1 1
109 1 2 1 1 16 CYS HB3 . 16 . HB1 1 1
110 1 1 1 1 16 CYS H . 16 . HN 1 1
110 1 2 1 1 16 CYS HB2 . 16 . HB2 1 1
111 1 1 1 1 17 ILE H . 17 . HN 1 1
111 1 2 1 1 17 ILE HA . 17 . HA 1 1
112 1 1 1 1 17 ILE H . 17 . HN 1 1
112 1 2 1 1 17 ILE HB . 17 . HB 1 1
113 1 1 1 1 17 ILE H . 17 . HN 1 1
113 1 2 1 1 17 ILE MD . 17 . HD1* 1 1
114 1 1 1 1 17 ILE H . 17 . HN 1 1
114 1 2 1 1 17 ILE MG . 17 . HG2* 1 1
115 1 1 1 1 18 LYS H . 18 . HN 1 1
115 1 2 1 1 18 LYS HA . 18 . HA 1 1
116 1 1 1 1 18 LYS H . 18 . HN 1 1
116 1 2 1 1 18 LYS QB . 18 . HB* 1 1
117 1 1 1 1 18 LYS H . 18 . HN 1 1
117 1 2 1 1 18 LYS QD . 18 . HD* 1 1
118 1 1 1 1 19 GLY H . 19 . HN 1 1
118 1 2 1 1 19 GLY HA3 . 19 . HA1 1 1
119 1 1 1 1 19 GLY H . 19 . HN 1 1
119 1 2 1 1 19 GLY HA2 . 19 . HA2 1 1
120 1 1 1 1 20 ARG H . 20 . HN 1 1
120 1 2 1 1 20 ARG HA . 20 . HA 1 1
121 1 1 1 1 20 ARG H . 20 . HN 1 1
121 1 2 1 1 20 ARG QB . 20 . HB* 1 1
122 1 1 1 1 20 ARG H . 20 . HN 1 1
122 1 2 1 1 20 ARG QG . 20 . HG* 1 1
123 1 1 1 1 21 CYS H . 21 . HN 1 1
123 1 2 1 1 21 CYS HA . 21 . HA 1 1
124 1 1 1 1 21 CYS H . 21 . HN 1 1
124 1 2 1 1 21 CYS HB3 . 21 . HB1 1 1
125 1 1 1 1 21 CYS H . 21 . HN 1 1
125 1 2 1 1 21 CYS HB2 . 21 . HB2 1 1
126 1 1 1 1 22 ARG H . 22 . HN 1 1
126 1 2 1 1 22 ARG QB . 22 . HB* 1 1
127 1 1 1 1 23 PHE H . 23 . HN 1 1
127 1 2 1 1 23 PHE HB3 . 23 . HB1 1 1
128 1 1 1 1 23 PHE H . 23 . HN 1 1
128 1 2 1 1 23 PHE HB2 . 23 . HB2 1 1
129 1 1 1 1 23 PHE H . 23 . HN 1 1
129 1 2 1 1 23 PHE HD1 . 23 . HD1 1 1
130 1 1 1 1 24 VAL H . 24 . HN 1 1
130 1 2 1 1 24 VAL HB . 24 . HB 1 1
131 1 1 1 1 24 VAL H . 24 . HN 1 1
131 1 2 1 1 24 VAL MG2 . 24 . HG2* 1 1
132 1 1 1 1 25 VAL H . 25 . HN 1 1
132 1 2 1 1 25 VAL HA . 25 . HA 1 1
133 1 1 1 1 25 VAL H . 25 . HN 1 1
133 1 2 1 1 25 VAL HB . 25 . HB 1 1
134 1 1 1 1 25 VAL H . 25 . HN 1 1
134 1 2 1 1 25 VAL MG1 . 25 . HG1* 1 1
135 1 1 1 1 25 VAL H . 25 . HN 1 1
135 1 2 1 1 25 VAL MG2 . 25 . HG2* 1 1
136 1 1 1 1 26 ALA H . 26 . HN 1 1
136 1 2 1 1 26 ALA HA . 26 . HA 1 1
137 1 1 1 1 26 ALA H . 26 . HN 1 1
137 1 2 1 1 26 ALA MB . 26 . HB* 1 1
138 1 1 1 1 27 GLU H . 27 . HN 1 1
138 1 2 1 1 27 GLU HA . 27 . HA 1 1
139 1 1 1 1 27 GLU H . 27 . HN 1 1
139 1 2 1 1 27 GLU QB . 27 . HB* 1 1
140 1 1 1 1 27 GLU H . 27 . HN 1 1
140 1 2 1 1 27 GLU QG . 27 . HG* 1 1
141 1 1 1 1 28 GLN H . 28 . HN 1 1
141 1 2 1 1 28 GLN HA . 28 . HA 1 1
142 1 1 1 1 28 GLN H . 28 . HN 1 1
142 1 2 1 1 28 GLN QG . 28 . HG* 1 1
143 1 1 1 1 29 THR H . 29 . HN 1 1
143 1 2 1 1 29 THR HA . 29 . HA 1 1
144 1 1 1 1 29 THR H . 29 . HN 1 1
144 1 2 1 1 29 THR HB . 29 . HB 1 1
145 1 1 1 1 29 THR H . 29 . HN 1 1
145 1 2 1 1 29 THR MG . 29 . HG2* 1 1
146 1 1 1 1 31 SER H . 31 . HN 1 1
146 1 2 1 1 31 SER HA . 31 . HA 1 1
147 1 1 1 1 31 SER H . 31 . HN 1 1
147 1 2 1 1 31 SER QB . 31 . HB* 1 1
148 1 1 1 1 32 CYS H . 32 . HN 1 1
148 1 2 1 1 32 CYS HA . 32 . HA 1 1
149 1 1 1 1 32 CYS H . 32 . HN 1 1
149 1 2 1 1 32 CYS HB3 . 32 . HB1 1 1
150 1 1 1 1 33 VAL H . 33 . HN 1 1
150 1 2 1 1 33 VAL HB . 33 . HB 1 1
151 1 1 1 1 33 VAL H . 33 . HN 1 1
151 1 2 1 1 33 VAL MG2 . 33 . HG2* 1 1
152 1 1 1 1 34 CYS H . 34 . HN 1 1
152 1 2 1 1 34 CYS HA . 34 . HA 1 1
153 1 1 1 1 34 CYS H . 34 . HN 1 1
153 1 2 1 1 34 CYS HB3 . 34 . HB1 1 1
154 1 1 1 1 34 CYS H . 34 . HN 1 1
154 1 2 1 1 34 CYS HB2 . 34 . HB2 1 1
155 1 1 1 1 35 ASP H . 35 . HN 1 1
155 1 2 1 1 35 ASP HA . 35 . HA 1 1
156 1 1 1 1 35 ASP H . 35 . HN 1 1
156 1 2 1 1 35 ASP HB2 . 35 . HB2 1 1
157 1 1 1 1 38 TYR H . 38 . HN 1 1
157 1 2 1 1 38 TYR HA . 38 . HA 1 1
158 1 1 1 1 38 TYR H . 38 . HN 1 1
158 1 2 1 1 38 TYR HB3 . 38 . HB1 1 1
159 1 1 1 1 38 TYR H . 38 . HN 1 1
159 1 2 1 1 38 TYR HB2 . 38 . HB2 1 1
160 1 1 1 1 38 TYR H . 38 . HN 1 1
160 1 2 1 1 38 TYR HD1 . 38 . HD2 1 1
161 1 1 1 1 39 ILE H . 39 . HN 1 1
161 1 2 1 1 39 ILE HA . 39 . HA 1 1
162 1 1 1 1 39 ILE H . 39 . HN 1 1
162 1 2 1 1 39 ILE QG . 39 . HG1* 1 1
163 1 1 1 1 40 GLY H . 40 . HN 1 1
163 1 2 1 1 40 GLY HA3 . 40 . HA1 1 1
164 1 1 1 1 40 GLY H . 40 . HN 1 1
164 1 2 1 1 40 GLY HA2 . 40 . HA2 1 1
165 1 1 1 1 41 ALA H . 41 . HN 1 1
165 1 2 1 1 41 ALA HA . 41 . HA 1 1
166 1 1 1 1 41 ALA H . 41 . HN 1 1
166 1 2 1 1 41 ALA MB . 41 . HB* 1 1
167 1 1 1 1 42 ARG H . 42 . HN 1 1
167 1 2 1 1 42 ARG HB3 . 42 . HB1 1 1
168 1 1 1 1 42 ARG H . 42 . HN 1 1
168 1 2 1 1 42 ARG HB2 . 42 . HB2 1 1
169 1 1 1 1 43 CYS H . 43 . HN 1 1
169 1 2 1 1 43 CYS HA . 43 . HA 1 1
170 1 1 1 1 44 GLU H . 44 . HN 1 1
170 1 2 1 1 44 GLU HA . 44 . HA 1 1
171 1 1 1 1 45 ARG H . 45 . HN 1 1
171 1 2 1 1 45 ARG HA . 45 . HA 1 1
172 1 1 1 1 45 ARG H . 45 . HN 1 1
172 1 2 1 1 45 ARG QG . 45 . HG* 1 1
173 1 1 1 1 46 VAL H . 46 . HN 1 1
173 1 2 1 1 46 VAL HA . 46 . HA 1 1
174 1 1 1 1 46 VAL H . 46 . HN 1 1
174 1 2 1 1 46 VAL HB . 46 . HB 1 1
175 1 1 1 1 46 VAL H . 46 . HN 1 1
175 1 2 1 1 46 VAL MG1 . 46 . HG1* 1 1
176 1 1 1 1 46 VAL H . 46 . HN 1 1
176 1 2 1 1 46 VAL MG2 . 46 . HG2* 1 1
177 1 1 1 1 47 ASP H . 47 . HN 1 1
177 1 2 1 1 47 ASP HA . 47 . HA 1 1
178 1 1 1 1 47 ASP H . 47 . HN 1 1
178 1 2 1 1 47 ASP HB3 . 47 . HB1 1 1
179 1 1 1 1 47 ASP H . 47 . HN 1 1
179 1 2 1 1 47 ASP HB2 . 47 . HB2 1 1
180 1 1 1 1 48 LEU H . 48 . HN 1 1
180 1 2 1 1 48 LEU QB . 48 . HB* 1 1
181 1 1 1 1 48 LEU H . 48 . HN 1 1
181 1 2 1 1 48 LEU MD1 . 48 . HD1* 1 1
182 1 1 1 1 48 LEU H . 48 . HN 1 1
182 1 2 1 1 48 LEU HG . 48 . HG 1 1
183 1 1 1 1 49 PHE H . 49 . HN 1 1
183 1 2 1 1 49 PHE HA . 49 . HA 1 1
184 1 1 1 1 49 PHE H . 49 . HN 1 1
184 1 2 1 1 49 PHE HB3 . 49 . HB1 1 1
185 1 1 1 1 49 PHE H . 49 . HN 1 1
185 1 2 1 1 49 PHE HB2 . 49 . HB2 1 1
186 1 1 1 1 50 TYR H . 50 . HN 1 1
186 1 2 1 1 50 TYR HA . 50 . HA 1 1
187 1 1 1 1 50 TYR H . 50 . HN 1 1
187 1 2 1 1 50 TYR HB3 . 50 . HB1 1 1
188 1 1 1 1 50 TYR H . 50 . HN 1 1
188 1 2 1 1 50 TYR HB2 . 50 . HB2 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 . . . . . 2.96 2.46 3.46 1 1
2 1 . . . . . 2.8 2.27 3.33 1 1
3 1 . . . . . 3.3 2.8 3.8 1 1
4 1 . . . . . 2.96 2.24 3.68 1 1
5 1 . . . . . 2.55 2.05 3.05 1 1
6 1 . . . . . 4.35 3.7 5.0 1 1
7 1 . . . . . 3.09 2.34 3.85 1 1
8 1 . . . . . 3.0 2.04 3.96 1 1
9 1 . . . . . 2.67 2.1 3.25 1 1
10 1 . . . . . 3.34 1.86 4.82 1 1
11 1 . . . . . 3.14 1.83 4.45 1 1
12 1 . . . . . 2.96 2.23 3.7 1 1
13 1 . . . . . 2.7 2.42 3.23 1 1
14 1 . . . . . . 2.88 3.06 1 1
15 1 . . . . . 2.96 1.7 4.22 1 1
16 1 . . . . . 3.35 1.86 4.83 1 1
17 1 . . . . . 2.04 1.38 2.7 1 1
18 1 . . . . . 2.66 2.13 3.18 1 1
19 1 . . . . . 4.06 3.54 4.58 1 1
20 1 . . . . . 2.5 1.94 3.06 1 1
21 1 . . . . . 3.54 3.0 4.08 1 1
22 1 . . . . . 2.8 2.12 3.48 1 1
23 1 . . . . . 2.5 1.88 3.12 1 1
24 1 . . . . . 2.75 1.7 3.79 1 1
25 1 . . . . . 3.35 1.81 4.89 1 1
26 1 . . . . . 3.56 1.92 5.2 1 1
27 1 . . . . . 3.47 1.88 5.06 1 1
28 1 . . . . . 4.28 2.29 6.27 1 1
29 1 . . . . . 3.54 1.97 5.12 1 1
30 1 . . . . . 3.56 1.98 5.14 1 1
31 1 . . . . . 3.44 1.91 4.96 1 1
32 1 . . . . . 3.27 1.82 4.72 1 1
33 1 . . . . . 2.59 1.21 3.97 1 1
34 1 . . . . . 4.12 2.26 5.97 1 1
35 1 . . . . . 2.96 2.23 3.69 1 1
36 1 . . . . . 3.4 2.89 3.91 1 1
37 1 . . . . . 2.39 1.88 2.9 1 1
38 1 . . . . . 2.52 1.93 3.11 1 1
39 1 . . . . . 3.82 2.88 4.76 1 1
40 1 . . . . . 2.96 1.73 4.18 1 1
41 1 . . . . . 3.46 1.87 5.05 1 1
42 1 . . . . . 3.34 1.81 4.88 1 1
43 1 . . . . . 3.55 1.92 5.18 1 1
44 1 . . . . . 3.53 1.91 5.15 1 1
45 1 . . . . . 3.46 1.87 5.05 1 1
46 1 . . . . . 2.91 1.7 4.12 1 1
47 1 . . . . . 3.42 1.9 4.94 1 1
48 1 . . . . . 3.11 1.73 4.49 1 1
49 1 . . . . . 2.71 2.0 3.72 1 1
50 1 . . . . . 3.35 1.81 4.89 1 1
51 1 . . . . . 2.51 2.0 3.02 1 1
52 1 . . . . . 2.54 1.78 3.3 1 1
53 1 . . . . . 3.4 1.84 4.96 1 1
54 1 . . . . . 3.35 1.81 4.89 1 1
55 1 . . . . . 2.85 1.7 4.0 1 1
56 1 . . . . . 2.67 2.05 3.29 1 1
57 1 . . . . . 2.79 2.27 3.31 1 1
58 1 . . . . . 2.83 2.02 3.64 1 1
59 1 . . . . . 2.47 1.73 3.21 1 1
60 1 . . . . . 3.56 2.82 4.3 1 1
61 1 . . . . . 2.56 2.0 3.12 1 1
62 1 . . . . . 3.77 2.09 5.45 1 1
63 1 . . . . . 3.4 1.84 4.96 1 1
64 1 . . . . . 3.41 1.9 4.92 1 1
65 1 . . . . . 4.08 2.25 5.91 1 1
66 1 . . . . . 3.84 2.13 5.55 1 1
67 1 . . . . . 4.04 2.23 5.86 1 1
68 1 . . . . . 3.86 2.14 5.58 1 1
69 1 . . . . . 3.71 2.01 5.41 1 1
70 1 . . . . . 3.77 2.04 5.5 1 1
71 1 . . . . . 3.57 1.93 5.21 1 1
72 1 . . . . . 3.5 1.89 5.11 1 1
73 1 . . . . . 2.83 1.7 3.95 1 1
74 1 . . . . . 3.88 2.15 5.62 1 1
75 1 . . . . . 3.62 1.95 5.29 1 1
76 1 . . . . . 2.99 1.75 4.23 1 1
77 1 . . . . . 2.96 2.21 3.72 1 1
78 1 . . . . . 3.02 2.14 3.9 1 1
79 1 . . . . . 2.98 2.19 3.77 1 1
80 1 . . . . . 2.95 2.02 3.88 1 1
81 1 . . . . . 2.41 1.59 3.22 1 1
82 1 . . . . . 3.09 2.36 3.82 1 1
83 1 . . . . . 2.97 2.2 3.74 1 1
84 1 . . . . . 3.19 2.34 4.04 1 1
85 1 . . . . . 3.26 2.39 4.13 1 1
86 1 . . . . . 3.0 2.26 3.74 1 1
87 1 . . . . . 2.7 2.03 3.37 1 1
88 1 . . . . . 3.69 2.71 4.67 1 1
89 1 . . . . . 2.98 2.17 3.79 1 1
90 1 . . . . . 2.81 2.06 3.56 1 1
91 1 . . . . . 2.52 1.86 3.18 1 1
92 1 . . . . . 2.96 2.24 3.68 1 1
93 1 . . . . . 2.96 2.23 3.69 1 1
94 1 . . . . . 2.6 2.1 3.1 1 1
95 1 . . . . . 3.62 2.6 4.65 1 1
96 1 . . . . . 2.97 2.2 3.74 1 1
97 1 . . . . . 3.12 2.3 3.33 1 1
98 1 . . . . . 2.96 2.23 3.69 1 1
99 1 . . . . . 2.91 2.27 3.55 1 1
100 1 . . . . . 3.63 2.61 4.66 1 1
101 1 . . . . . 4.07 2.9 5.24 1 1
102 1 . . . . . 3.09 2.5 3.67 1 1
103 1 . . . . . 2.5 2.0 3.0 1 1
104 1 . . . . . 2.96 2.22 3.71 1 1
105 1 . . . . . 3.0 2.24 3.76 1 1
106 1 . . . . . 3.01 2.25 3.78 1 1
107 1 . . . . . 3.31 2.46 4.16 1 1
108 1 . . . . . 2.97 2.19 3.76 1 1
109 1 . . . . . 3.29 2.7 3.87 1 1
110 1 . . . . . 2.55 2.03 3.06 1 1
111 1 . . . . . 2.96 2.24 3.68 1 1
112 1 . . . . . 2.52 1.94 3.1 1 1
113 1 . . . . . 5.09 3.45 6.73 1 1
114 1 . . . . . 4.9 3.35 6.44 1 1
115 1 . . . . . 2.98 2.19 3.77 1 1
116 1 . . . . . 2.96 2.08 3.85 1 1
117 1 . . . . . 3.23 2.25 4.21 1 1
118 1 . . . . . 2.54 2.01 3.07 1 1
119 1 . . . . . 3.04 2.45 3.63 1 1
120 1 . . . . . 2.97 2.19 3.76 1 1
121 1 . . . . . 3.46 2.4 4.52 1 1
122 1 . . . . . 3.37 2.35 4.39 1 1
123 1 . . . . . 2.98 2.21 3.75 1 1
124 1 . . . . . 2.67 2.09 3.26 1 1
125 1 . . . . . 3.49 2.9 4.08 1 1
126 1 . . . . . 3.63 2.47 4.79 1 1
127 1 . . . . . 3.0 2.2 3.8 1 1
128 1 . . . . . 3.08 2.3 3.86 1 1
129 1 . . . . . 3.86 2.84 4.88 1 1
130 1 . . . . . 2.7 2.0 3.4 1 1
131 1 . . . . . 2.77 1.69 3.84 1 1
132 1 . . . . . 2.97 2.22 3.72 1 1
133 1 . . . . . 2.33 1.74 2.92 1 1
134 1 . . . . . 3.6 2.58 4.62 1 1
135 1 . . . . . 2.83 1.82 3.84 1 1
136 1 . . . . . 2.96 2.23 3.69 1 1
137 1 . . . . . 3.48 2.43 4.53 1 1
138 1 . . . . . 2.97 2.21 3.73 1 1
139 1 . . . . . 3.56 2.5 4.62 1 1
140 1 . . . . . 3.58 2.51 4.65 1 1
141 1 . . . . . 2.96 2.23 3.69 1 1
142 1 . . . . . 3.69 2.64 4.74 1 1
143 1 . . . . . 2.97 2.19 3.76 1 1
144 1 . . . . . 2.94 2.17 3.71 1 1
145 1 . . . . . 3.74 2.5 4.98 1 1
146 1 . . . . . 2.96 2.23 3.69 1 1
147 1 . . . . . 3.45 2.45 4.45 1 1
148 1 . . . . . 2.98 2.19 3.77 1 1
149 1 . . . . . 2.79 2.06 3.52 1 1
150 1 . . . . . 2.5 2.01 2.98 1 1
151 1 . . . . . 3.73 1.7 5.76 1 1
152 1 . . . . . 2.98 2.21 3.75 1 1
153 1 . . . . . 3.48 2.73 4.23 1 1
154 1 . . . . . 2.43 1.76 3.1 1 1
155 1 . . . . . 2.97 2.2 3.74 1 1
156 1 . . . . . 2.33 1.57 3.09 1 1
157 1 . . . . . 2.98 2.19 3.77 1 1
158 1 . . . . . 2.54 1.79 3.29 1 1
159 1 . . . . . 3.69 2.94 4.44 1 1
160 1 . . . . . 2.38 1.74 3.03 1 1
161 1 . . . . . 2.98 2.19 3.77 1 1
162 1 . . . . . 3.1 2.16 4.04 1 1
163 1 . . . . . 3.01 2.3 3.72 1 1
164 1 . . . . . 2.49 1.9 3.07 1 1
165 1 . . . . . 2.96 2.23 3.7 1 1
166 1 . . . . . 3.31 2.3 4.32 1 1
167 1 . . . . . 3.56 3.03 4.09 1 1
168 1 . . . . . 2.44 1.93 2.95 1 1
169 1 . . . . . 2.56 2.03 3.09 1 1
170 1 . . . . . 2.98 2.19 3.77 1 1
171 1 . . . . . 2.96 2.22 3.71 1 1
172 1 . . . . . 3.58 2.0 5.16 1 1
173 1 . . . . . 2.98 2.21 3.75 1 1
174 1 . . . . . 2.75 2.2 3.3 1 1
175 1 . . . . . 3.05 2.28 3.82 1 1
176 1 . . . . . 3.81 2.76 4.86 1 1
177 1 . . . . . 2.97 2.2 3.74 1 1
178 1 . . . . . 2.87 2.33 3.4 1 1
179 1 . . . . . 2.58 2.04 3.13 1 1
180 1 . . . . . 3.54 2.47 4.61 1 1
181 1 . . . . . 4.58 3.16 6.0 1 1
182 1 . . . . . 3.59 2.7 4.47 1 1
183 1 . . . . . 2.96 2.22 3.71 1 1
184 1 . . . . . 3.57 3.03 4.11 1 1
185 1 . . . . . 2.58 1.97 3.19 1 1
186 1 . . . . . 2.96 2.21 3.72 1 1
187 1 . . . . . 3.06 2.27 3.85 1 1
188 1 . . . . . 2.92 2.18 3.66 1 1
stop_
save_
save_CNS/XPLOR_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 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 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
12 1 . . . 1 2
13 1 . . . 1 2
14 1 . . . 1 2
15 1 . . . 1 2
16 1 . . . 1 2
17 1 . . . 1 2
18 1 . . . 1 2
19 1 . . . 1 2
20 1 . . . 1 2
21 1 . . . 1 2
22 1 . . . 1 2
23 1 . . . 1 2
24 1 . . . 1 2
25 1 . . . 1 2
26 1 . . . 1 2
27 1 . . . 1 2
28 1 . . . 1 2
29 1 . . . 1 2
30 1 . . . 1 2
31 1 . . . 1 2
32 1 . . . 1 2
33 1 . . . 1 2
34 1 . . . 1 2
35 1 . . . 1 2
36 1 . . . 1 2
37 1 . . . 1 2
38 1 . . . 1 2
39 1 . . . 1 2
40 1 . . . 1 2
41 1 . . . 1 2
42 1 . . . 1 2
43 1 . . . 1 2
44 1 . . . 1 2
45 1 . . . 1 2
46 1 . . . 1 2
47 1 . . . 1 2
48 1 . . . 1 2
49 1 . . . 1 2
50 1 . . . 1 2
51 1 . . . 1 2
52 1 . . . 1 2
53 1 . . . 1 2
54 1 . . . 1 2
55 1 . . . 1 2
56 1 . . . 1 2
57 1 . . . 1 2
58 1 . . . 1 2
59 1 . . . 1 2
60 1 . . . 1 2
61 1 . . . 1 2
62 1 . . . 1 2
63 1 . . . 1 2
64 1 . . . 1 2
65 1 . . . 1 2
66 1 . . . 1 2
67 1 . . . 1 2
68 1 . . . 1 2
69 1 . . . 1 2
70 1 . . . 1 2
71 1 . . . 1 2
72 1 . . . 1 2
73 1 . . . 1 2
74 1 . . . 1 2
75 1 . . . 1 2
76 1 . . . 1 2
77 1 . . . 1 2
78 1 . . . 1 2
79 1 . . . 1 2
80 1 . . . 1 2
81 1 . . . 1 2
82 1 . . . 1 2
83 1 . . . 1 2
84 1 . . . 1 2
85 1 . . . 1 2
86 1 . . . 1 2
87 1 . . . 1 2
88 1 . . . 1 2
89 1 . . . 1 2
90 1 . . . 1 2
91 1 . . . 1 2
92 1 . . . 1 2
93 1 . . . 1 2
94 1 . . . 1 2
95 1 . . . 1 2
96 1 . . . 1 2
97 1 . . . 1 2
98 1 . . . 1 2
99 1 . . . 1 2
100 1 . . . 1 2
101 1 . . . 1 2
102 1 . . . 1 2
103 1 . . . 1 2
104 1 . . . 1 2
105 1 . . . 1 2
106 1 . . . 1 2
107 1 . . . 1 2
108 1 . . . 1 2
109 1 . . . 1 2
110 1 . . . 1 2
111 1 . . . 1 2
112 1 . . . 1 2
113 1 . . . 1 2
114 1 . . . 1 2
115 1 . . . 1 2
116 1 . . . 1 2
117 1 . . . 1 2
118 1 . . . 1 2
119 1 . . . 1 2
120 1 . . . 1 2
121 1 . . . 1 2
122 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 4 HIS HA . 4 . HA 1 2
1 1 2 1 1 5 PHE HD2 . 5 . HD2 1 2
2 1 1 1 1 8 CYS HA . 8 . HA 1 2
2 1 2 1 1 9 PRO QD . 9 . HD* 1 2
3 1 1 1 1 11 GLN QB . 11 . HB* 1 2
3 1 2 1 1 12 TYR QD . 12 . HD1 1 2
4 1 1 1 1 15 TYR HD1 . 15 . HD2 1 2
4 1 2 1 1 16 CYS HB2 . 16 . HB2 1 2
5 1 1 1 1 15 TYR HD1 . 15 . HD2 1 2
5 1 2 1 1 16 CYS HB3 . 16 . HB1 1 2
6 1 1 1 1 23 PHE HD1 . 23 . HD1 1 2
6 1 2 1 1 24 VAL HA . 24 . HA 1 2
7 1 1 1 1 29 THR HA . 29 . HA 1 2
7 1 2 1 1 30 PRO QD . 30 . HD* 1 2
8 1 1 1 1 34 CYS HB3 . 34 . HB1 1 2
8 1 2 1 1 35 ASP HB2 . 35 . HB2 1 2
9 1 1 1 1 35 ASP HA . 35 . HA 1 2
9 1 2 1 1 36 GLU HA . 36 . HA 1 2
10 1 1 1 1 3 GLY QA . 3 . HA* 1 2
10 1 2 1 1 4 HIS H . 4 . HN 1 2
11 1 1 1 1 4 HIS HA . 4 . HA 1 2
11 1 2 1 1 5 PHE H . 5 . HN 1 2
12 1 1 1 1 4 HIS H . 4 . HN 1 2
12 1 2 1 1 5 PHE H . 5 . HN 1 2
13 1 1 1 1 5 PHE HA . 5 . HA 1 2
13 1 2 1 1 6 SER H . 6 . HN 1 2
14 1 1 1 1 5 PHE HB3 . 5 . HB1 1 2
14 1 2 1 1 6 SER H . 6 . HN 1 2
15 1 1 1 1 5 PHE HB2 . 5 . HB2 1 2
15 1 2 1 1 6 SER H . 6 . HN 1 2
16 1 1 1 1 5 PHE HD2 . 5 . HD2 1 2
16 1 2 1 1 6 SER H . 6 . HN 1 2
17 1 1 1 1 6 SER HA . 6 . HA 1 2
17 1 2 1 1 7 ARG H . 7 . HN 1 2
18 1 1 1 1 6 SER HB3 . 6 . HB1 1 2
18 1 2 1 1 7 ARG H . 7 . HN 1 2
19 1 1 1 1 6 SER HB2 . 6 . HB2 1 2
19 1 2 1 1 7 ARG H . 7 . HN 1 2
20 1 1 1 1 7 ARG HA . 7 . HA 1 2
20 1 2 1 1 8 CYS H . 8 . HN 1 2
21 1 1 1 1 7 ARG QB . 7 . HB* 1 2
21 1 2 1 1 8 CYS H . 8 . HN 1 2
22 1 1 1 1 7 ARG H . 7 . HN 1 2
22 1 2 1 1 8 CYS H . 8 . HN 1 2
23 1 1 1 1 11 GLN H . 11 . HN 1 2
23 1 2 1 1 12 TYR H . 12 . HN 1 2
24 1 1 1 1 12 TYR H . 12 . HN 1 2
24 1 2 1 1 13 LYS H . 13 . HN 1 2
25 1 1 1 1 11 GLN HA . 11 . HA 1 2
25 1 2 1 1 12 TYR H . 12 . HN 1 2
26 1 1 1 1 11 GLN QB . 11 . HB* 1 2
26 1 2 1 1 12 TYR H . 12 . HN 1 2
27 1 1 1 1 12 TYR HA . 12 . HA 1 2
27 1 2 1 1 13 LYS H . 13 . HN 1 2
28 1 1 1 1 13 LYS QB . 13 . HB* 1 2
28 1 2 1 1 14 HIS H . 14 . HN 1 2
29 1 1 1 1 13 LYS HA . 13 . HA 1 2
29 1 2 1 1 14 HIS H . 14 . HN 1 2
30 1 1 1 1 13 LYS H . 13 . HN 1 2
30 1 2 1 1 14 HIS H . 14 . HN 1 2
31 1 1 1 1 14 HIS H . 14 . HN 1 2
31 1 2 1 1 15 TYR H . 15 . HN 1 2
32 1 1 1 1 14 HIS HA . 14 . HA 1 2
32 1 2 1 1 15 TYR H . 15 . HN 1 2
33 1 1 1 1 14 HIS HB3 . 14 . HB1 1 2
33 1 2 1 1 15 TYR H . 15 . HN 1 2
34 1 1 1 1 15 TYR HA . 15 . HA 1 2
34 1 2 1 1 16 CYS H . 16 . HN 1 2
35 1 1 1 1 15 TYR HB3 . 15 . HB1 1 2
35 1 2 1 1 16 CYS H . 16 . HN 1 2
36 1 1 1 1 15 TYR HB2 . 15 . HB2 1 2
36 1 2 1 1 16 CYS H . 16 . HN 1 2
37 1 1 1 1 15 TYR HD1 . 15 . HD2 1 2
37 1 2 1 1 16 CYS H . 16 . HN 1 2
38 1 1 1 1 15 TYR H . 15 . HN 1 2
38 1 2 1 1 16 CYS H . 16 . HN 1 2
39 1 1 1 1 16 CYS HA . 16 . HA 1 2
39 1 2 1 1 17 ILE H . 17 . HN 1 2
40 1 1 1 1 16 CYS HB3 . 16 . HB1 1 2
40 1 2 1 1 17 ILE H . 17 . HN 1 2
41 1 1 1 1 16 CYS HB2 . 16 . HB2 1 2
41 1 2 1 1 17 ILE H . 17 . HN 1 2
42 1 1 1 1 17 ILE H . 17 . HN 1 2
42 1 2 1 1 18 LYS H . 18 . HN 1 2
43 1 1 1 1 17 ILE HA . 17 . HA 1 2
43 1 2 1 1 18 LYS H . 18 . HN 1 2
44 1 1 1 1 17 ILE MG . 17 . HG2* 1 2
44 1 2 1 1 18 LYS H . 18 . HN 1 2
45 1 1 1 1 18 LYS HA . 18 . HA 1 2
45 1 2 1 1 19 GLY H . 19 . HN 1 2
46 1 1 1 1 19 GLY HA3 . 19 . HA1 1 2
46 1 2 1 1 20 ARG H . 20 . HN 1 2
47 1 1 1 1 19 GLY HA2 . 19 . HA2 1 2
47 1 2 1 1 20 ARG H . 20 . HN 1 2
48 1 1 1 1 20 ARG HA . 20 . HA 1 2
48 1 2 1 1 21 CYS H . 21 . HN 1 2
49 1 1 1 1 20 ARG QB . 20 . HB* 1 2
49 1 2 1 1 21 CYS H . 21 . HN 1 2
50 1 1 1 1 20 ARG QG . 20 . HG* 1 2
50 1 2 1 1 21 CYS H . 21 . HN 1 2
51 1 1 1 1 21 CYS HA . 21 . HA 1 2
51 1 2 1 1 22 ARG H . 22 . HN 1 2
52 1 1 1 1 21 CYS HB3 . 21 . HB1 1 2
52 1 2 1 1 22 ARG H . 22 . HN 1 2
53 1 1 1 1 22 ARG HA . 22 . HA 1 2
53 1 2 1 1 23 PHE H . 23 . HN 1 2
54 1 1 1 1 23 PHE HA . 23 . HA 1 2
54 1 2 1 1 24 VAL H . 24 . HN 1 2
55 1 1 1 1 23 PHE HD1 . 23 . HD1 1 2
55 1 2 1 1 24 VAL H . 24 . HN 1 2
56 1 1 1 1 24 VAL HA . 24 . HA 1 2
56 1 2 1 1 25 VAL H . 25 . HN 1 2
57 1 1 1 1 26 ALA H . 26 . HN 1 2
57 1 2 1 1 27 GLU H . 27 . HN 1 2
58 1 1 1 1 25 VAL HA . 25 . HA 1 2
58 1 2 1 1 26 ALA H . 26 . HN 1 2
59 1 1 1 1 25 VAL MG1 . 25 . HG1* 1 2
59 1 2 1 1 26 ALA H . 26 . HN 1 2
60 1 1 1 1 25 VAL H . 25 . HN 1 2
60 1 2 1 1 26 ALA H . 26 . HN 1 2
61 1 1 1 1 26 ALA MB . 26 . HB* 1 2
61 1 2 1 1 27 GLU H . 27 . HN 1 2
62 1 1 1 1 26 ALA HA . 26 . HA 1 2
62 1 2 1 1 27 GLU H . 27 . HN 1 2
63 1 1 1 1 27 GLU HA . 27 . HA 1 2
63 1 2 1 1 28 GLN H . 28 . HN 1 2
64 1 1 1 1 27 GLU H . 27 . HN 1 2
64 1 2 1 1 28 GLN H . 28 . HN 1 2
65 1 1 1 1 28 GLN H . 28 . HN 1 2
65 1 2 1 1 29 THR H . 29 . HN 1 2
66 1 1 1 1 28 GLN HA . 28 . HA 1 2
66 1 2 1 1 29 THR H . 29 . HN 1 2
67 1 1 1 1 30 PRO HA . 30 . HA 1 2
67 1 2 1 1 31 SER H . 31 . HN 1 2
68 1 1 1 1 31 SER HA . 31 . HA 1 2
68 1 2 1 1 32 CYS H . 32 . HN 1 2
69 1 1 1 1 31 SER QB . 31 . HB* 1 2
69 1 2 1 1 32 CYS H . 32 . HN 1 2
70 1 1 1 1 32 CYS HA . 32 . HA 1 2
70 1 2 1 1 33 VAL H . 33 . HN 1 2
71 1 1 1 1 32 CYS HB2 . 32 . HB2 1 2
71 1 2 1 1 33 VAL H . 33 . HN 1 2
72 1 1 1 1 32 CYS H . 32 . HN 1 2
72 1 2 1 1 33 VAL H . 33 . HN 1 2
73 1 1 1 1 34 CYS H . 34 . HN 1 2
73 1 2 1 1 35 ASP H . 35 . HN 1 2
74 1 1 1 1 33 VAL HA . 33 . HA 1 2
74 1 2 1 1 34 CYS H . 34 . HN 1 2
75 1 1 1 1 33 VAL MG1 . 33 . HG1* 1 2
75 1 2 1 1 34 CYS H . 34 . HN 1 2
76 1 1 1 1 34 CYS HA . 34 . HA 1 2
76 1 2 1 1 35 ASP H . 35 . HN 1 2
77 1 1 1 1 34 CYS HB3 . 34 . HB1 1 2
77 1 2 1 1 35 ASP H . 35 . HN 1 2
78 1 1 1 1 34 CYS HB2 . 34 . HB2 1 2
78 1 2 1 1 35 ASP H . 35 . HN 1 2
79 1 1 1 1 35 ASP H . 35 . HN 1 2
79 1 2 1 1 36 GLU H . 36 . HN 1 2
80 1 1 1 1 35 ASP HA . 35 . HA 1 2
80 1 2 1 1 36 GLU H . 36 . HN 1 2
81 1 1 1 1 35 ASP HB3 . 35 . HB1 1 2
81 1 2 1 1 36 GLU H . 36 . HN 1 2
82 1 1 1 1 37 GLY H . 37 . HN 1 2
82 1 2 1 1 38 TYR HD1 . 38 . HD2 1 2
83 1 1 1 1 37 GLY H . 37 . HN 1 2
83 1 2 1 1 38 TYR H . 38 . HN 1 2
84 1 1 1 1 37 GLY QA . 37 . HA* 1 2
84 1 2 1 1 38 TYR H . 38 . HN 1 2
85 1 1 1 1 38 TYR HA . 38 . HA 1 2
85 1 2 1 1 39 ILE H . 39 . HN 1 2
86 1 1 1 1 38 TYR HB3 . 38 . HB1 1 2
86 1 2 1 1 39 ILE H . 39 . HN 1 2
87 1 1 1 1 38 TYR HB2 . 38 . HB2 1 2
87 1 2 1 1 39 ILE H . 39 . HN 1 2
88 1 1 1 1 38 TYR HD2 . 38 . HD1 1 2
88 1 2 1 1 39 ILE H . 39 . HN 1 2
89 1 1 1 1 39 ILE HA . 39 . HA 1 2
89 1 2 1 1 40 GLY H . 40 . HN 1 2
90 1 1 1 1 39 ILE HB . 39 . HB 1 2
90 1 2 1 1 40 GLY H . 40 . HN 1 2
91 1 1 1 1 39 ILE QG . 39 . HG1* 1 2
91 1 2 1 1 40 GLY H . 40 . HN 1 2
92 1 1 1 1 39 ILE MG . 39 . HG2* 1 2
92 1 2 1 1 40 GLY H . 40 . HN 1 2
93 1 1 1 1 40 GLY HA3 . 40 . HA1 1 2
93 1 2 1 1 41 ALA H . 41 . HN 1 2
94 1 1 1 1 40 GLY HA2 . 40 . HA2 1 2
94 1 2 1 1 41 ALA H . 41 . HN 1 2
95 1 1 1 1 40 GLY H . 40 . HN 1 2
95 1 2 1 1 41 ALA H . 41 . HN 1 2
96 1 1 1 1 41 ALA H . 41 . HN 1 2
96 1 2 1 1 42 ARG H . 42 . HN 1 2
97 1 1 1 1 41 ALA HA . 41 . HA 1 2
97 1 2 1 1 42 ARG H . 42 . HN 1 2
98 1 1 1 1 41 ALA MB . 41 . HB* 1 2
98 1 2 1 1 42 ARG H . 42 . HN 1 2
99 1 1 1 1 42 ARG H . 42 . HN 1 2
99 1 2 1 1 43 CYS HA . 43 . HA 1 2
100 1 1 1 1 42 ARG H . 42 . HN 1 2
100 1 2 1 1 43 CYS H . 43 . HN 1 2
101 1 1 1 1 42 ARG HA . 42 . HA 1 2
101 1 2 1 1 43 CYS H . 43 . HN 1 2
102 1 1 1 1 43 CYS HA . 43 . HA 1 2
102 1 2 1 1 44 GLU H . 44 . HN 1 2
103 1 1 1 1 43 CYS H . 43 . HN 1 2
103 1 2 1 1 44 GLU H . 44 . HN 1 2
104 1 1 1 1 44 GLU H . 44 . HN 1 2
104 1 2 1 1 45 ARG H . 45 . HN 1 2
105 1 1 1 1 44 GLU HA . 44 . HA 1 2
105 1 2 1 1 45 ARG H . 45 . HN 1 2
106 1 1 1 1 44 GLU QG . 44 . HG* 1 2
106 1 2 1 1 45 ARG H . 45 . HN 1 2
107 1 1 1 1 45 ARG QB . 45 . HB* 1 2
107 1 2 1 1 46 VAL H . 46 . HN 1 2
108 1 1 1 1 45 ARG HA . 45 . HA 1 2
108 1 2 1 1 46 VAL H . 46 . HN 1 2
109 1 1 1 1 45 ARG QG . 45 . HG* 1 2
109 1 2 1 1 46 VAL H . 46 . HN 1 2
110 1 1 1 1 46 VAL H . 46 . HN 1 2
110 1 2 1 1 47 ASP H . 47 . HN 1 2
111 1 1 1 1 47 ASP H . 47 . HN 1 2
111 1 2 1 1 48 LEU H . 48 . HN 1 2
112 1 1 1 1 46 VAL HA . 46 . HA 1 2
112 1 2 1 1 47 ASP H . 47 . HN 1 2
113 1 1 1 1 46 VAL HB . 46 . HB 1 2
113 1 2 1 1 47 ASP H . 47 . HN 1 2
114 1 1 1 1 46 VAL MG2 . 46 . HG2* 1 2
114 1 2 1 1 47 ASP H . 47 . HN 1 2
115 1 1 1 1 47 ASP HA . 47 . HA 1 2
115 1 2 1 1 48 LEU H . 48 . HN 1 2
116 1 1 1 1 47 ASP HB2 . 47 . HB2 1 2
116 1 2 1 1 48 LEU H . 48 . HN 1 2
117 1 1 1 1 48 LEU HA . 48 . HA 1 2
117 1 2 1 1 49 PHE H . 49 . HN 1 2
118 1 1 1 1 48 LEU MD2 . 48 . HD2* 1 2
118 1 2 1 1 49 PHE H . 49 . HN 1 2
119 1 1 1 1 49 PHE H . 49 . HN 1 2
119 1 2 1 1 50 TYR H . 50 . HN 1 2
120 1 1 1 1 49 PHE HA . 49 . HA 1 2
120 1 2 1 1 50 TYR H . 50 . HN 1 2
121 1 1 1 1 49 PHE HB2 . 49 . HB2 1 2
121 1 2 1 1 50 TYR H . 50 . HN 1 2
122 1 1 1 1 49 PHE HB3 . 49 . HB1 1 2
122 1 2 1 1 50 TYR H . 50 . 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 . . . . . 4.04 3.14 4.94 1 2
2 1 . . . . . 2.09 1.54 2.64 1 2
3 1 . . . . . 3.62 2.07 5.23 1 2
4 1 . . . . . 2.6 1.99 3.21 1 2
5 1 . . . . . 4.06 3.46 4.66 1 2
6 1 . . . . . 3.89 3.34 4.44 1 2
7 1 . . . . . 2.09 1.54 2.64 1 2
8 1 . . . . . 3.65 2.1 5.19 1 2
9 1 . . . . . 4.42 3.9 4.94 1 2
10 1 . . . . . 3.21 2.27 4.15 1 2
11 1 . . . . . 2.5 1.89 3.11 1 2
12 1 . . . . . 2.99 2.42 3.57 1 2
13 1 . . . . . 2.57 1.92 3.22 1 2
14 1 . . . . . 2.55 1.96 3.14 1 2
15 1 . . . . . 2.06 1.39 2.73 1 2
16 1 . . . . . 4.0 2.99 5.01 1 2
17 1 . . . . . 2.72 2.2 3.24 1 2
18 1 . . . . . 3.15 2.6 3.69 1 2
19 1 . . . . . 3.86 3.3 4.42 1 2
20 1 . . . . . 2.21 1.7 2.72 1 2
21 1 . . . . . 3.97 3.07 4.88 1 2
22 1 . . . . . 4.02 3.14 4.9 1 2
23 1 . . . . . 2.75 1.94 3.55 1 2
24 1 . . . . . 2.53 1.84 3.22 1 2
25 1 . . . . . 3.59 2.96 4.22 1 2
26 1 . . . . . 3.46 2.27 4.65 1 2
27 1 . . . . . 3.54 2.64 4.44 1 2
28 1 . . . . . 4.2 2.27 6.13 1 2
29 1 . . . . . 2.74 2.1 3.37 1 2
30 1 . . . . . 3.44 2.8 4.08 1 2
31 1 . . . . . 2.58 1.9 3.26 1 2
32 1 . . . . . 3.25 2.42 4.08 1 2
33 1 . . . . . 3.35 2.81 3.89 1 2
34 1 . . . . . 3.56 3.01 4.1 1 2
35 1 . . . . . 4.47 3.95 4.99 1 2
36 1 . . . . . 3.67 3.09 4.25 1 2
37 1 . . . . . 2.58 2.01 3.15 1 2
38 1 . . . . . 2.39 1.86 2.91 1 2
39 1 . . . . . 2.3 1.71 2.89 1 2
40 1 . . . . . 3.88 3.32 4.43 1 2
41 1 . . . . . 4.53 3.95 5.11 1 2
42 1 . . . . . 3.24 2.7 3.78 1 2
43 1 . . . . . 3.59 3.07 4.11 1 2
44 1 . . . . . 3.54 2.77 4.31 1 2
45 1 . . . . . 2.72 2.1 3.34 1 2
46 1 . . . . . 3.09 2.59 3.68 1 2
47 1 . . . . . 2.36 1.84 2.88 1 2
48 1 . . . . . 2.5 1.92 3.08 1 2
49 1 . . . . . 3.71 2.56 4.86 1 2
50 1 . . . . . 4.0 2.9 5.1 1 2
51 1 . . . . . 2.35 1.85 2.85 1 2
52 1 . . . . . 3.76 3.17 4.35 1 2
53 1 . . . . . 2.22 1.7 2.74 1 2
54 1 . . . . . 2.24 1.7 2.77 1 2
55 1 . . . . . 3.44 2.87 4.01 1 2
56 1 . . . . . 2.28 1.77 2.79 1 2
57 1 . . . . . 2.86 1.99 3.73 1 2
58 1 . . . . . 3.68 3.14 4.22 1 2
59 1 . . . . . 4.33 3.5 5.16 1 2
60 1 . . . . . 2.69 2.18 3.2 1 2
61 1 . . . . . 2.97 2.24 3.7 1 2
62 1 . . . . . 3.59 3.02 4.16 1 2
63 1 . . . . . 2.45 1.9 3.0 1 2
64 1 . . . . . 3.6 3.06 4.14 1 2
65 1 . . . . . 4.25 3.71 4.79 1 2
66 1 . . . . . 2.34 1.8 2.88 1 2
67 1 . . . . . 2.38 1.84 2.93 1 2
68 1 . . . . . 2.31 1.82 2.81 1 2
69 1 . . . . . 3.35 2.46 4.23 1 2
70 1 . . . . . 2.13 1.6 2.66 1 2
71 1 . . . . . 3.5 2.7 4.29 1 2
72 1 . . . . . 4.36 3.27 5.45 1 2
73 1 . . . . . 4.63 4.1 5.17 1 2
74 1 . . . . . 2.47 2.0 2.94 1 2
75 1 . . . . . 3.25 2.22 4.29 1 2
76 1 . . . . . 2.32 1.81 2.84 1 2
77 1 . . . . . 2.96 2.39 3.53 1 2
78 1 . . . . . 4.08 3.5 4.66 1 2
79 1 . . . . . 4.69 4.15 5.23 1 2
80 1 . . . . . 2.22 1.7 2.74 1 2
81 1 . . . . . 3.6 2.75 4.45 1 2
82 1 . . . . . 3.28 1.93 4.63 1 2
83 1 . . . . . 2.96 2.46 3.47 1 2
84 1 . . . . . 3.44 2.38 4.5 1 2
85 1 . . . . . 2.54 1.98 3.09 1 2
86 1 . . . . . 3.93 3.4 4.45 1 2
87 1 . . . . . 2.68 2.09 3.27 1 2
88 1 . . . . . 3.8 3.28 4.32 1 2
89 1 . . . . . 2.33 1.8 2.86 1 2
90 1 . . . . . 4.08 3.5 4.66 1 2
91 1 . . . . . 4.09 3.06 5.13 1 2
92 1 . . . . . 3.21 2.16 4.27 1 2
93 1 . . . . . 3.05 2.49 3.61 1 2
94 1 . . . . . 2.5 1.97 3.03 1 2
95 1 . . . . . 4.07 3.55 4.58 1 2
96 1 . . . . . 2.56 2.05 3.07 1 2
97 1 . . . . . 3.5 3.0 4.0 1 2
98 1 . . . . . 3.42 2.29 4.55 1 2
99 1 . . . . . 4.19 3.1 5.27 1 2
100 1 . . . . . 2.65 2.15 3.24 1 2
101 1 . . . . . 3.2 2.68 3.72 1 2
102 1 . . . . . 2.8 2.27 3.32 1 2
103 1 . . . . . 2.88 2.33 3.42 1 2
104 1 . . . . . 2.35 1.79 2.91 1 2
105 1 . . . . . 3.51 2.97 4.05 1 2
106 1 . . . . . 3.39 1.91 4.87 1 2
107 1 . . . . . 4.08 2.22 5.95 1 2
108 1 . . . . . 2.37 1.8 2.95 1 2
109 1 . . . . . 3.67 2.54 4.8 1 2
110 1 . . . . . 4.34 3.66 5.02 1 2
111 1 . . . . . 3.23 2.67 3.79 1 2
112 1 . . . . . 2.34 1.82 2.86 1 2
113 1 . . . . . 3.25 2.42 4.08 1 2
114 1 . . . . . 3.59 2.44 4.74 1 2
115 1 . . . . . 3.02 2.4 3.64 1 2
116 1 . . . . . 4.01 2.92 5.1 1 2
117 1 . . . . . 2.85 2.14 3.56 1 2
118 1 . . . . . 4.38 2.96 5.8 1 2
119 1 . . . . . 3.17 2.36 3.98 1 2
120 1 . . . . . 3.58 1.88 5.28 1 2
121 1 . . . . . 3.19 2.37 4.01 1 2
122 1 . . . . . 3.6 2.08 5.12 1 2
stop_
save_
save_CNS/XPLOR_distance_constraints_6_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 3
_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 3
2 1 . . . 1 3
3 1 . . . 1 3
4 1 . . . 1 3
5 1 . . . 1 3
6 1 . . . 1 3
7 1 . . . 1 3
8 1 . . . 1 3
9 1 . . . 1 3
10 1 . . . 1 3
11 1 . . . 1 3
12 1 . . . 1 3
13 1 . . . 1 3
14 1 . . . 1 3
15 1 . . . 1 3
16 1 . . . 1 3
17 1 . . . 1 3
18 1 . . . 1 3
19 1 . . . 1 3
20 1 . . . 1 3
21 1 . . . 1 3
22 1 . . . 1 3
23 1 . . . 1 3
24 1 . . . 1 3
25 1 . . . 1 3
26 1 . . . 1 3
27 1 . . . 1 3
28 1 . . . 1 3
29 1 . . . 1 3
30 1 . . . 1 3
31 1 . . . 1 3
32 1 . . . 1 3
33 1 . . . 1 3
34 1 . . . 1 3
35 1 . . . 1 3
36 1 . . . 1 3
37 1 . . . 1 3
38 1 . . . 1 3
39 1 . . . 1 3
40 1 . . . 1 3
41 1 . . . 1 3
42 1 . . . 1 3
43 1 . . . 1 3
44 1 . . . 1 3
45 1 . . . 1 3
46 1 . . . 1 3
47 1 . . . 1 3
48 1 . . . 1 3
49 1 . . . 1 3
50 1 . . . 1 3
51 1 . . . 1 3
52 1 . . . 1 3
53 1 . . . 1 3
54 1 . . . 1 3
55 1 . . . 1 3
56 1 . . . 1 3
57 1 . . . 1 3
58 1 . . . 1 3
59 1 . . . 1 3
60 1 . . . 1 3
61 1 . . . 1 3
62 1 . . . 1 3
63 1 . . . 1 3
64 1 . . . 1 3
65 1 . . . 1 3
66 1 . . . 1 3
67 1 . . . 1 3
68 1 . . . 1 3
69 1 . . . 1 3
70 1 . . . 1 3
71 1 . . . 1 3
72 1 . . . 1 3
73 1 . . . 1 3
74 1 . . . 1 3
75 1 . . . 1 3
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 5 PHE HE1 . 5 . HE1 1 3
1 1 2 1 1 24 VAL MG1 . 24 . HG1* 1 3
2 1 1 1 1 5 PHE HE1 . 5 . HE1 1 3
2 1 2 1 1 24 VAL MG2 . 24 . HG2* 1 3
3 1 1 1 1 5 PHE HE1 . 5 . HE1 1 3
3 1 2 1 1 24 VAL HA . 24 . HA 1 3
4 1 1 1 1 5 PHE HA . 5 . HA 1 3
4 1 2 1 1 24 VAL HA . 24 . HA 1 3
5 1 1 1 1 5 PHE HD1 . 5 . HD1 1 3
5 1 2 1 1 24 VAL HA . 24 . HA 1 3
6 1 1 1 1 5 PHE HD1 . 5 . HD1 1 3
6 1 2 1 1 24 VAL MG2 . 24 . HG2* 1 3
7 1 1 1 1 5 PHE HD1 . 5 . HD1 1 3
7 1 2 1 1 24 VAL MG1 . 24 . HG1* 1 3
8 1 1 1 1 7 ARG HA . 7 . HA 1 3
8 1 2 1 1 22 ARG QG . 22 . HG* 1 3
9 1 1 1 1 15 TYR HE1 . 15 . HE2 1 3
9 1 2 1 1 21 CYS HB3 . 21 . HB1 1 3
10 1 1 1 1 15 TYR HE2 . 15 . HE1 1 3
10 1 2 1 1 23 PHE HD2 . 23 . HD2 1 3
11 1 1 1 1 15 TYR HD1 . 15 . HD2 1 3
11 1 2 1 1 32 CYS HB2 . 32 . HB2 1 3
12 1 1 1 1 19 GLY HA2 . 19 . HA2 1 3
12 1 2 1 1 35 ASP HB2 . 35 . HB2 1 3
13 1 1 1 1 8 CYS HB3 . 8 . HB1 1 3
13 1 2 1 1 20 ARG HA . 20 . HA 1 3
14 1 1 1 1 8 CYS HB2 . 8 . HB2 1 3
14 1 2 1 1 20 ARG HA . 20 . HA 1 3
15 1 1 1 1 21 CYS HB2 . 21 . HB2 1 3
15 1 2 1 1 32 CYS HB2 . 32 . HB2 1 3
16 1 1 1 1 23 PHE HA . 23 . HA 1 3
16 1 2 1 1 30 PRO HA . 30 . HA 1 3
17 1 1 1 1 23 PHE HD2 . 23 . HD2 1 3
17 1 2 1 1 30 PRO HB3 . 30 . HB1 1 3
18 1 1 1 1 23 PHE HD2 . 23 . HD2 1 3
18 1 2 1 1 30 PRO HA . 30 . HA 1 3
19 1 1 1 1 23 PHE HE1 . 23 . HE1 1 3
19 1 2 1 1 28 GLN HA . 28 . HA 1 3
20 1 1 1 1 5 PHE HB2 . 5 . HB2 1 3
20 1 2 1 1 24 VAL HA . 24 . HA 1 3
21 1 1 1 1 21 CYS HA . 21 . HA 1 3
21 1 2 1 1 32 CYS HA . 32 . HA 1 3
22 1 1 1 1 19 GLY HA3 . 19 . HA1 1 3
22 1 2 1 1 34 CYS HA . 34 . HA 1 3
23 1 1 1 1 19 GLY HA2 . 19 . HA2 1 3
23 1 2 1 1 34 CYS HA . 34 . HA 1 3
24 1 1 1 1 18 LYS QG . 18 . HG* 1 3
24 1 2 1 1 38 TYR HA . 38 . HA 1 3
25 1 1 1 1 38 TYR HA . 38 . HA 1 3
25 1 2 1 1 46 VAL HA . 46 . HA 1 3
26 1 1 1 1 38 TYR HD2 . 38 . HD1 1 3
26 1 2 1 1 43 CYS HA . 43 . HA 1 3
27 1 1 1 1 38 TYR HD2 . 38 . HD1 1 3
27 1 2 1 1 43 CYS HB3 . 43 . HB1 1 3
28 1 1 1 1 18 LYS QB . 18 . HB* 1 3
28 1 2 1 1 38 TYR HD2 . 38 . HD1 1 3
29 1 1 1 1 18 LYS QD . 18 . HD* 1 3
29 1 2 1 1 38 TYR HD2 . 38 . HD1 1 3
30 1 1 1 1 18 LYS QG . 18 . HG* 1 3
30 1 2 1 1 38 TYR HD2 . 38 . HD1 1 3
31 1 1 1 1 34 CYS HB3 . 34 . HB1 1 3
31 1 2 1 1 38 TYR HE2 . 38 . HE1 1 3
32 1 1 1 1 38 TYR HE2 . 38 . HE1 1 3
32 1 2 1 1 43 CYS HA . 43 . HA 1 3
33 1 1 1 1 19 GLY HA3 . 19 . HA1 1 3
33 1 2 1 1 38 TYR HE2 . 38 . HE1 1 3
34 1 1 1 1 34 CYS HB3 . 34 . HB1 1 3
34 1 2 1 1 38 TYR HE1 . 38 . HE2 1 3
35 1 1 1 1 34 CYS HB3 . 34 . HB1 1 3
35 1 2 1 1 38 TYR HD2 . 38 . HD1 1 3
36 1 1 1 1 16 CYS HA . 16 . HA 1 3
36 1 2 1 1 42 ARG HA . 42 . HA 1 3
37 1 1 1 1 17 ILE HB . 17 . HB 1 3
37 1 2 1 1 43 CYS HB2 . 43 . HB2 1 3
38 1 1 1 1 17 ILE HB . 17 . HB 1 3
38 1 2 1 1 44 GLU HA . 44 . HA 1 3
39 1 1 1 1 17 ILE MG . 17 . HG2* 1 3
39 1 2 1 1 44 GLU HA . 44 . HA 1 3
40 1 1 1 1 17 ILE MD . 17 . HD1* 1 3
40 1 2 1 1 44 GLU HA . 44 . HA 1 3
41 1 1 1 1 6 SER H . 6 . HN 1 3
41 1 2 1 1 23 PHE H . 23 . HN 1 3
42 1 1 1 1 6 SER H . 6 . HN 1 3
42 1 2 1 1 22 ARG HA . 22 . HA 1 3
43 1 1 1 1 17 ILE H . 17 . HN 1 3
43 1 2 1 1 43 CYS HB2 . 43 . HB2 1 3
44 1 1 1 1 18 LYS H . 18 . HN 1 3
44 1 2 1 1 43 CYS HB3 . 43 . HB1 1 3
45 1 1 1 1 18 LYS H . 18 . HN 1 3
45 1 2 1 1 43 CYS HB2 . 43 . HB2 1 3
46 1 1 1 1 20 ARG H . 20 . HN 1 3
46 1 2 1 1 34 CYS HA . 34 . HA 1 3
47 1 1 1 1 20 ARG H . 20 . HN 1 3
47 1 2 1 1 33 VAL HB . 33 . HB 1 3
48 1 1 1 1 13 LYS QG . 13 . HG* 1 3
48 1 2 1 1 21 CYS H . 21 . HN 1 3
49 1 1 1 1 22 ARG H . 22 . HN 1 3
49 1 2 1 1 32 CYS HA . 32 . HA 1 3
50 1 1 1 1 22 ARG H . 22 . HN 1 3
50 1 2 1 1 31 SER H . 31 . HN 1 3
51 1 1 1 1 24 VAL H . 24 . HN 1 3
51 1 2 1 1 29 THR MG . 29 . HG2* 1 3
52 1 1 1 1 24 VAL H . 24 . HN 1 3
52 1 2 1 1 30 PRO HA . 30 . HA 1 3
53 1 1 1 1 24 VAL H . 24 . HN 1 3
53 1 2 1 1 29 THR H . 29 . HN 1 3
54 1 1 1 1 5 PHE HA . 5 . HA 1 3
54 1 2 1 1 25 VAL H . 25 . HN 1 3
55 1 1 1 1 24 VAL MG1 . 24 . HG1* 1 3
55 1 2 1 1 28 GLN H . 28 . HN 1 3
56 1 1 1 1 24 VAL HB . 24 . HB 1 3
56 1 2 1 1 29 THR H . 29 . HN 1 3
57 1 1 1 1 24 VAL MG1 . 24 . HG1* 1 3
57 1 2 1 1 29 THR H . 29 . HN 1 3
58 1 1 1 1 24 VAL MG2 . 24 . HG2* 1 3
58 1 2 1 1 29 THR H . 29 . HN 1 3
59 1 1 1 1 23 PHE HA . 23 . HA 1 3
59 1 2 1 1 31 SER H . 31 . HN 1 3
60 1 1 1 1 22 ARG QB . 22 . HB* 1 3
60 1 2 1 1 31 SER H . 31 . HN 1 3
61 1 1 1 1 21 CYS HA . 21 . HA 1 3
61 1 2 1 1 33 VAL H . 33 . HN 1 3
62 1 1 1 1 20 ARG H . 20 . HN 1 3
62 1 2 1 1 33 VAL H . 33 . HN 1 3
63 1 1 1 1 19 GLY HA3 . 19 . HA1 1 3
63 1 2 1 1 35 ASP H . 35 . HN 1 3
64 1 1 1 1 19 GLY HA2 . 19 . HA2 1 3
64 1 2 1 1 35 ASP H . 35 . HN 1 3
65 1 1 1 1 20 ARG H . 20 . HN 1 3
65 1 2 1 1 35 ASP H . 35 . HN 1 3
66 1 1 1 1 39 ILE H . 39 . HN 1 3
66 1 2 1 1 43 CYS HA . 43 . HA 1 3
67 1 1 1 1 39 ILE H . 39 . HN 1 3
67 1 2 1 1 47 ASP HB2 . 47 . HB2 1 3
68 1 1 1 1 39 ILE H . 39 . HN 1 3
68 1 2 1 1 45 ARG H . 45 . HN 1 3
69 1 1 1 1 39 ILE H . 39 . HN 1 3
69 1 2 1 1 46 VAL HA . 46 . HA 1 3
70 1 1 1 1 18 LYS QD . 18 . HD* 1 3
70 1 2 1 1 44 GLU H . 44 . HN 1 3
71 1 1 1 1 17 ILE HB . 17 . HB 1 3
71 1 2 1 1 44 GLU H . 44 . HN 1 3
72 1 1 1 1 18 LYS QD . 18 . HD* 1 3
72 1 2 1 1 45 ARG H . 45 . HN 1 3
73 1 1 1 1 39 ILE HB . 39 . HB 1 3
73 1 2 1 1 45 ARG H . 45 . HN 1 3
74 1 1 1 1 39 ILE MD . 39 . HD1* 1 3
74 1 2 1 1 47 ASP H . 47 . HN 1 3
75 1 1 1 1 38 TYR HA . 38 . HA 1 3
75 1 2 1 1 47 ASP H . 47 . HN 1 3
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 . . . . . 3.35 1.7 5.0 1 3
2 1 . . . . . 3.79 1.7 5.88 1 3
3 1 . . . . . 3.44 2.0 4.88 1 3
4 1 . . . . . 3.71 3.09 4.33 1 3
5 1 . . . . . 2.85 2.33 3.37 1 3
6 1 . . . . . 2.91 1.91 3.91 1 3
7 1 . . . . . 3.73 2.02 5.44 1 3
8 1 . . . . . 3.64 2.02 5.26 1 3
9 1 . . . . . 2.4 1.84 2.96 1 3
10 1 . . . . . 4.24 3.55 4.93 1 3
11 1 . . . . . 2.77 1.9 3.64 1 3
12 1 . . . . . 3.88 3.2 4.57 1 3
13 1 . . . . . 3.69 2.13 5.25 1 3
14 1 . . . . . 4.39 3.33 5.45 1 3
15 1 . . . . . 3.47 2.01 4.93 1 3
16 1 . . . . . 2.38 1.84 2.93 1 3
17 1 . . . . . 2.88 2.34 3.43 1 3
18 1 . . . . . 3.58 2.84 4.33 1 3
19 1 . . . . . 2.98 1.94 4.01 1 3
20 1 . . . . . 3.57 2.06 5.07 1 3
21 1 . . . . . 2.14 1.63 2.65 1 3
22 1 . . . . . 2.08 1.5 2.67 1 3
23 1 . . . . . 2.06 1.49 2.63 1 3
24 1 . . . . . 3.92 2.77 5.07 1 3
25 1 . . . . . 2.25 1.74 2.76 1 3
26 1 . . . . . 2.08 1.55 2.61 1 3
27 1 . . . . . 2.09 1.5 2.59 1 3
28 1 . . . . . 3.98 2.82 5.14 1 3
29 1 . . . . . 3.61 2.57 4.65 1 3
30 1 . . . . . 3.71 2.64 4.79 1 3
31 1 . . . . . 2.67 1.87 3.47 1 3
32 1 . . . . . 2.58 2.08 3.08 1 3
33 1 . . . . . 4.6 3.57 5.63 1 3
34 1 . . . . . 3.73 2.97 4.49 1 3
35 1 . . . . . 3.33 2.57 4.09 1 3
36 1 . . . . . 3.86 3.11 4.61 1 3
37 1 . . . . . 3.26 1.9 4.63 1 3
38 1 . . . . . 2.92 2.35 3.48 1 3
39 1 . . . . . 3.56 1.92 5.2 1 3
40 1 . . . . . 4.16 2.23 6.08 1 3
41 1 . . . . . 4.3 3.29 5.31 1 3
42 1 . . . . . 4.2 3.19 5.21 1 3
43 1 . . . . . 2.41 1.69 3.13 1 3
44 1 . . . . . 3.14 2.29 3.99 1 3
45 1 . . . . . 2.14 1.29 2.99 1 3
46 1 . . . . . 3.06 2.49 3.63 1 3
47 1 . . . . . 3.59 2.89 4.29 1 3
48 1 . . . . . 3.73 2.08 5.38 1 3
49 1 . . . . . 3.05 2.53 3.58 1 3
50 1 . . . . . 3.57 3.04 4.1 1 3
51 1 . . . . . 3.21 1.76 4.66 1 3
52 1 . . . . . 3.68 3.14 4.23 1 3
53 1 . . . . . 2.67 2.08 3.25 1 3
54 1 . . . . . 4.55 3.81 5.29 1 3
55 1 . . . . . 4.67 3.18 6.17 1 3
56 1 . . . . . 2.47 1.79 3.16 1 3
57 1 . . . . . 4.71 3.42 6.0 1 3
58 1 . . . . . 4.63 3.37 5.9 1 3
59 1 . . . . . 3.19 2.63 3.75 1 3
60 1 . . . . . 4.05 2.21 5.89 1 3
61 1 . . . . . 2.44 1.92 2.96 1 3
62 1 . . . . . 3.63 1.74 5.52 1 3
63 1 . . . . . 3.48 2.74 4.22 1 3
64 1 . . . . . 2.48 1.74 3.22 1 3
65 1 . . . . . 3.94 3.16 4.72 1 3
66 1 . . . . . 3.81 2.74 4.88 1 3
67 1 . . . . . 4.29 3.41 5.17 1 3
68 1 . . . . . 3.09 2.29 3.89 1 3
69 1 . . . . . 3.12 2.47 3.76 1 3
70 1 . . . . . 4.42 2.34 6.5 1 3
71 1 . . . . . 4.49 3.61 5.37 1 3
72 1 . . . . . 3.42 2.42 4.42 1 3
73 1 . . . . . 3.94 3.22 4.66 1 3
74 1 . . . . . 3.95 2.64 5.25 1 3
75 1 . . . . . 2.28 1.74 2.83 1 3
stop_
save_
save_CNS/XPLOR_distance_constraints_5_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 4
_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 4
2 1 . . . 1 4
3 1 . . . 1 4
4 1 . . . 1 4
5 1 . . . 1 4
6 1 . . . 1 4
7 1 . . . 1 4
8 1 . . . 1 4
9 1 . . . 1 4
10 1 . . . 1 4
11 1 . . . 1 4
12 1 . . . 1 4
13 1 . . . 1 4
14 1 . . . 1 4
15 1 . . . 1 4
16 1 . . . 1 4
17 1 . . . 1 4
18 1 . . . 1 4
19 1 . . . 1 4
20 1 . . . 1 4
21 1 . . . 1 4
22 1 . . . 1 4
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 8 CYS HB3 . 8 . HB1 1 4
1 1 2 1 1 12 TYR QB . 12 . HB2 1 4
2 1 1 1 1 9 PRO QD . 9 . HD* 1 4
2 1 2 1 1 12 TYR QB . 12 . HB2 1 4
3 1 1 1 1 11 GLN H . 11 . HN 1 4
3 1 2 1 1 13 LYS H . 13 . HN 1 4
4 1 1 1 1 9 PRO HB2 . 9 . HB2 1 4
4 1 2 1 1 12 TYR QD . 12 . HD1 1 4
5 1 1 1 1 10 LYS HA . 10 . HA 1 4
5 1 2 1 1 13 LYS H . 13 . HN 1 4
6 1 1 1 1 12 TYR QD . 12 . HD2 1 4
6 1 2 1 1 14 HIS H . 14 . HN 1 4
7 1 1 1 1 13 LYS HA . 13 . HA 1 4
7 1 2 1 1 15 TYR H . 15 . HN 1 4
8 1 1 1 1 14 HIS HA . 14 . HA 1 4
8 1 2 1 1 16 CYS H . 16 . HN 1 4
9 1 1 1 1 23 PHE HE1 . 23 . HE1 1 4
9 1 2 1 1 25 VAL HA . 25 . HA 1 4
10 1 1 1 1 23 PHE HD1 . 23 . HD1 1 4
10 1 2 1 1 25 VAL HB . 25 . HB 1 4
11 1 1 1 1 23 PHE HD1 . 23 . HD1 1 4
11 1 2 1 1 25 VAL HA . 25 . HA 1 4
12 1 1 1 1 23 PHE HD1 . 23 . HD1 1 4
12 1 2 1 1 25 VAL MG2 . 25 . HG2* 1 4
13 1 1 1 1 24 VAL MG1 . 24 . HG1* 1 4
13 1 2 1 1 27 GLU H . 27 . HN 1 4
14 1 1 1 1 25 VAL HA . 25 . HA 1 4
14 1 2 1 1 28 GLN H . 28 . HN 1 4
15 1 1 1 1 29 THR MG . 29 . HG2* 1 4
15 1 2 1 1 31 SER H . 31 . HN 1 4
16 1 1 1 1 29 THR MG . 29 . HG2* 1 4
16 1 2 1 1 31 SER QB . 31 . HB* 1 4
17 1 1 1 1 36 GLU HA . 36 . HA 1 4
17 1 2 1 1 38 TYR HD1 . 38 . HD2 1 4
18 1 1 1 1 36 GLU HA . 36 . HA 1 4
18 1 2 1 1 38 TYR H . 38 . HN 1 4
19 1 1 1 1 35 ASP HB2 . 35 . HB2 1 4
19 1 2 1 1 38 TYR HD2 . 38 . HD1 1 4
20 1 1 1 1 40 GLY HA2 . 40 . HA2 1 4
20 1 2 1 1 42 ARG H . 42 . HN 1 4
21 1 1 1 1 40 GLY HA3 . 40 . HA1 1 4
21 1 2 1 1 42 ARG H . 42 . HN 1 4
22 1 1 1 1 46 VAL MG2 . 46 . HG2* 1 4
22 1 2 1 1 48 LEU H . 48 . HN 1 4
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 . . . . . 3.52 2.04 5.0 1 4
2 1 . . . . . 2.81 1.7 3.92 1 4
3 1 . . . . . 4.0 2.86 5.13 1 4
4 1 . . . . . 3.35 1.95 4.75 1 4
5 1 . . . . . 3.52 2.8 4.24 1 4
6 1 . . . . . 4.36 3.57 5.06 1 4
7 1 . . . . . 3.11 2.54 3.68 1 4
8 1 . . . . . 4.01 3.34 4.68 1 4
9 1 . . . . . 3.19 2.57 3.81 1 4
10 1 . . . . . 4.44 3.0 5.88 1 4
11 1 . . . . . 3.12 2.62 3.62 1 4
12 1 . . . . . 4.39 3.05 5.74 1 4
13 1 . . . . . 2.79 2.02 3.57 1 4
14 1 . . . . . 4.42 3.66 5.19 1 4
15 1 . . . . . 4.23 2.64 5.82 1 4
16 1 . . . . . 4.07 2.19 5.95 1 4
17 1 . . . . . 3.89 2.84 4.94 1 4
18 1 . . . . . 3.56 3.02 4.11 1 4
19 1 . . . . . 4.15 3.14 5.16 1 4
20 1 . . . . . 4.23 3.2 5.26 1 4
21 1 . . . . . 3.53 3.0 4.06 1 4
22 1 . . . . . 3.56 2.13 5.0 1 4
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 5
_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 5
2 1 . . . 1 5
3 1 . . . 1 5
4 1 . . . 1 5
5 1 . . . 1 5
6 1 . . . 1 5
7 1 . . . 1 5
8 1 . . . 1 5
9 1 . . . 1 5
10 1 . . . 1 5
11 1 . . . 1 5
12 1 . . . 1 5
13 1 . . . 1 5
14 1 . . . 1 5
15 1 . . . 1 5
16 1 . . . 1 5
17 1 . . . 1 5
18 1 . . . 1 5
19 1 . . . 1 5
20 1 . . . 1 5
21 1 . . . 1 5
22 1 . . . 1 5
23 1 . . . 1 5
24 1 . . . 1 5
25 1 . . . 1 5
26 1 . . . 1 5
27 1 . . . 1 5
28 1 . . . 1 5
29 1 . . . 1 5
30 1 . . . 1 5
31 1 . . . 1 5
32 1 . . . 1 5
33 1 . . . 1 5
34 1 . . . 1 5
35 1 . . . 1 5
36 1 . . . 1 5
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 8 CYS N . 8 . N 1 5
1 1 2 1 1 21 CYS O . 21 . O 1 5
2 1 1 1 1 8 CYS H . 8 . HN 1 5
2 1 2 1 1 21 CYS O . 21 . O 1 5
3 1 1 1 1 9 PRO O . 9 . O 1 5
3 1 2 1 1 12 TYR N . 12 . N 1 5
4 1 1 1 1 9 PRO O . 9 . O 1 5
4 1 2 1 1 12 TYR H . 12 . HN 1 5
5 1 1 1 1 10 LYS O . 10 . O 1 5
5 1 2 1 1 13 LYS N . 13 . N 1 5
6 1 1 1 1 10 LYS O . 10 . O 1 5
6 1 2 1 1 13 LYS H . 13 . HN 1 5
7 1 1 1 1 13 LYS O . 13 . O 1 5
7 1 2 1 1 16 CYS N . 16 . N 1 5
8 1 1 1 1 13 LYS O . 13 . O 1 5
8 1 2 1 1 16 CYS H . 16 . HN 1 5
9 1 1 1 1 17 ILE N . 17 . N 1 5
9 1 2 1 1 42 ARG O . 42 . O 1 5
10 1 1 1 1 17 ILE H . 17 . HN 1 5
10 1 2 1 1 42 ARG O . 42 . O 1 5
11 1 1 1 1 18 LYS N . 18 . N 1 5
11 1 2 1 1 43 CYS O . 43 . O 1 5
12 1 1 1 1 18 LYS H . 18 . HN 1 5
12 1 2 1 1 43 CYS O . 43 . O 1 5
13 1 1 1 1 22 ARG N . 22 . N 1 5
13 1 2 1 1 31 SER O . 31 . O 1 5
14 1 1 1 1 22 ARG H . 22 . HN 1 5
14 1 2 1 1 31 SER O . 31 . O 1 5
15 1 1 1 1 6 SER O . 6 . O 1 5
15 1 2 1 1 23 PHE N . 23 . N 1 5
16 1 1 1 1 6 SER O . 6 . O 1 5
16 1 2 1 1 23 PHE H . 23 . HN 1 5
17 1 1 1 1 24 VAL N . 24 . N 1 5
17 1 2 1 1 29 THR O . 29 . O 1 5
18 1 1 1 1 24 VAL H . 24 . HN 1 5
18 1 2 1 1 29 THR O . 29 . O 1 5
19 1 1 1 1 24 VAL O . 24 . O 1 5
19 1 2 1 1 29 THR N . 29 . N 1 5
20 1 1 1 1 24 VAL O . 24 . O 1 5
20 1 2 1 1 29 THR H . 29 . HN 1 5
21 1 1 1 1 22 ARG O . 22 . O 1 5
21 1 2 1 1 31 SER N . 31 . N 1 5
22 1 1 1 1 22 ARG O . 22 . O 1 5
22 1 2 1 1 31 SER H . 31 . HN 1 5
23 1 1 1 1 18 LYS O . 18 . O 1 5
23 1 2 1 1 35 ASP N . 35 . N 1 5
24 1 1 1 1 18 LYS O . 18 . O 1 5
24 1 2 1 1 35 ASP H . 35 . HN 1 5
25 1 1 1 1 35 ASP O . 35 . O 1 5
25 1 2 1 1 38 TYR N . 38 . N 1 5
26 1 1 1 1 35 ASP O . 35 . O 1 5
26 1 2 1 1 38 TYR H . 38 . HN 1 5
27 1 1 1 1 20 ARG O . 20 . O 1 5
27 1 2 1 1 33 VAL N . 33 . N 1 5
28 1 1 1 1 20 ARG O . 20 . O 1 5
28 1 2 1 1 33 VAL H . 33 . HN 1 5
29 1 1 1 1 20 ARG N . 20 . N 1 5
29 1 2 1 1 33 VAL O . 33 . O 1 5
30 1 1 1 1 20 ARG H . 20 . HN 1 5
30 1 2 1 1 33 VAL O . 33 . O 1 5
31 1 1 1 1 37 GLY O . 37 . O 1 5
31 1 2 1 1 47 ASP N . 47 . N 1 5
32 1 1 1 1 37 GLY O . 37 . O 1 5
32 1 2 1 1 47 ASP H . 47 . HN 1 5
33 1 1 1 1 39 ILE N . 39 . N 1 5
33 1 2 1 1 45 ARG O . 45 . O 1 5
34 1 1 1 1 39 ILE H . 39 . HN 1 5
34 1 2 1 1 45 ARG O . 45 . O 1 5
35 1 1 1 1 39 ILE O . 39 . O 1 5
35 1 2 1 1 45 ARG N . 45 . N 1 5
36 1 1 1 1 39 ILE O . 39 . O 1 5
36 1 2 1 1 45 ARG H . 45 . HN 1 5
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 . . . . . 3.0 2.7 3.3 1 5
2 1 . . . . . 2.0 1.8 2.2 1 5
3 1 . . . . . 3.0 2.7 3.3 1 5
4 1 . . . . . 2.0 1.8 2.2 1 5
5 1 . . . . . 3.0 2.7 3.3 1 5
6 1 . . . . . 2.0 1.8 2.2 1 5
7 1 . . . . . 3.0 2.5 3.5 1 5
8 1 . . . . . 2.0 1.5 2.5 1 5
9 1 . . . . . 3.0 2.7 3.3 1 5
10 1 . . . . . 2.0 1.8 2.2 1 5
11 1 . . . . . 3.0 2.7 3.3 1 5
12 1 . . . . . 2.0 1.8 2.2 1 5
13 1 . . . . . 3.0 2.7 3.3 1 5
14 1 . . . . . 2.0 1.8 2.2 1 5
15 1 . . . . . 3.0 2.7 3.3 1 5
16 1 . . . . . 2.0 1.8 2.2 1 5
17 1 . . . . . 3.0 2.7 3.3 1 5
18 1 . . . . . 2.0 1.8 2.2 1 5
19 1 . . . . . 3.0 2.7 3.3 1 5
20 1 . . . . . 2.0 1.8 2.2 1 5
21 1 . . . . . 3.0 2.7 3.3 1 5
22 1 . . . . . 2.0 1.8 2.2 1 5
23 1 . . . . . 3.0 2.7 3.3 1 5
24 1 . . . . . 2.0 1.8 2.2 1 5
25 1 . . . . . 3.0 2.7 3.3 1 5
26 1 . . . . . 2.0 1.8 2.2 1 5
27 1 . . . . . 3.0 2.7 3.3 1 5
28 1 . . . . . 2.0 1.8 2.2 1 5
29 1 . . . . . 3.0 2.7 3.3 1 5
30 1 . . . . . 2.0 1.8 2.2 1 5
31 1 . . . . . 3.0 2.7 3.3 1 5
32 1 . . . . . 2.0 1.8 2.2 1 5
33 1 . . . . . 3.0 2.7 3.3 1 5
34 1 . . . . . 2.0 1.8 2.2 1 5
35 1 . . . . . 3.0 2.7 3.3 1 5
36 1 . . . . . 2.0 1.8 2.2 1 5
stop_
save_
save_CNS/XPLOR_dihedral_8
_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 4 HIS C 1 1 5 PHE N 1 1 5 PHE CA 1 1 5 PHE C -150.0 -89.99999 . 4 . C . 5 . N . 5 . CA . 5 . C 1 1
2 . 1 1 5 PHE C 1 1 6 SER N 1 1 6 SER CA 1 1 6 SER C -150.0 -89.99999 . 5 . C . 6 . N . 6 . CA . 6 . C 1 1
3 . 1 1 6 SER C 1 1 7 ARG N 1 1 7 ARG CA 1 1 7 ARG C -160.0 -80.0 . 6 . C . 7 . N . 7 . CA . 7 . C 1 1
4 . 1 1 7 ARG C 1 1 8 CYS N 1 1 8 CYS CA 1 1 8 CYS C -89.99999 -30.0 . 7 . C . 8 . N . 8 . CA . 8 . C 1 1
5 . 1 1 9 PRO C 1 1 10 LYS N 1 1 10 LYS CA 1 1 10 LYS C -89.99999 -30.0 . 9 . C . 10 . N . 10 . CA . 10 . C 1 1
6 . 1 1 10 LYS C 1 1 11 GLN N 1 1 11 GLN CA 1 1 11 GLN C -89.99999 -30.0 . 10 . C . 11 . N . 11 . CA . 11 . C 1 1
7 . 1 1 11 GLN C 1 1 12 TYR N 1 1 12 TYR CA 1 1 12 TYR C -150.0 -89.99999 . 11 . C . 12 . N . 12 . CA . 12 . C 1 1
8 . 1 1 12 TYR C 1 1 13 LYS N 1 1 13 LYS CA 1 1 13 LYS C -89.99999 -30.0 . 12 . C . 13 . N . 13 . CA . 13 . C 1 1
9 . 1 1 13 LYS C 1 1 14 HIS N 1 1 14 HIS CA 1 1 14 HIS C -150.0 -89.99999 . 13 . C . 14 . N . 14 . CA . 14 . C 1 1
10 . 1 1 14 HIS C 1 1 15 TYR N 1 1 15 TYR CA 1 1 15 TYR C -89.99999 -30.0 . 14 . C . 15 . N . 15 . CA . 15 . C 1 1
11 . 1 1 15 TYR C 1 1 16 CYS N 1 1 16 CYS CA 1 1 16 CYS C -160.0 -80.0 . 15 . C . 16 . N . 16 . CA . 16 . C 1 1
12 . 1 1 17 ILE C 1 1 18 LYS N 1 1 18 LYS CA 1 1 18 LYS C -150.0 -89.99999 . 17 . C . 18 . N . 18 . CA . 18 . C 1 1
13 . 1 1 18 LYS C 1 1 19 GLY N 1 1 19 GLY CA 1 1 19 GLY C -160.0 -80.0 . 18 . C . 19 . N . 19 . CA . 19 . C 1 1
14 . 1 1 19 GLY C 1 1 20 ARG N 1 1 20 ARG CA 1 1 20 ARG C -150.0 -89.99999 . 19 . C . 20 . N . 20 . CA . 20 . C 1 1
15 . 1 1 20 ARG C 1 1 21 CYS N 1 1 21 CYS CA 1 1 21 CYS C -160.0 -80.0 . 20 . C . 21 . N . 21 . CA . 21 . C 1 1
16 . 1 1 21 CYS C 1 1 22 ARG N 1 1 22 ARG CA 1 1 22 ARG C -150.0 -89.99999 . 21 . C . 22 . N . 22 . CA . 22 . C 1 1
17 . 1 1 22 ARG C 1 1 23 PHE N 1 1 23 PHE CA 1 1 23 PHE C -150.0 -89.99999 . 22 . C . 23 . N . 23 . CA . 23 . C 1 1
18 . 1 1 23 PHE C 1 1 24 VAL N 1 1 24 VAL CA 1 1 24 VAL C -160.0 -80.0 . 23 . C . 24 . N . 24 . CA . 24 . C 1 1
19 . 1 1 24 VAL C 1 1 25 VAL N 1 1 25 VAL CA 1 1 25 VAL C -89.99999 -30.0 . 24 . C . 25 . N . 25 . CA . 25 . C 1 1
20 . 1 1 25 VAL C 1 1 26 ALA N 1 1 26 ALA CA 1 1 26 ALA C -89.99999 -30.0 . 25 . C . 26 . N . 26 . CA . 26 . C 1 1
21 . 1 1 26 ALA C 1 1 27 GLU N 1 1 27 GLU CA 1 1 27 GLU C -150.0 -89.99999 . 26 . C . 27 . N . 27 . CA . 27 . C 1 1
22 . 1 1 27 GLU C 1 1 28 GLN N 1 1 28 GLN CA 1 1 28 GLN C -89.99999 -30.0 . 27 . C . 28 . N . 28 . CA . 28 . C 1 1
23 . 1 1 28 GLN C 1 1 29 THR N 1 1 29 THR CA 1 1 29 THR C -150.0 -89.99999 . 28 . C . 29 . N . 29 . CA . 29 . C 1 1
24 . 1 1 30 PRO C 1 1 31 SER N 1 1 31 SER CA 1 1 31 SER C -150.0 -89.99999 . 30 . C . 31 . N . 31 . CA . 31 . C 1 1
25 . 1 1 31 SER C 1 1 32 CYS N 1 1 32 CYS CA 1 1 32 CYS C -150.0 -89.99999 . 31 . C . 32 . N . 32 . CA . 32 . C 1 1
26 . 1 1 32 CYS C 1 1 33 VAL N 1 1 33 VAL CA 1 1 33 VAL C -150.0 -89.99999 . 32 . C . 33 . N . 33 . CA . 33 . C 1 1
27 . 1 1 33 VAL C 1 1 34 CYS N 1 1 34 CYS CA 1 1 34 CYS C -160.0 -80.0 . 33 . C . 34 . N . 34 . CA . 34 . C 1 1
28 . 1 1 34 CYS C 1 1 35 ASP N 1 1 35 ASP CA 1 1 35 ASP C -89.99999 -30.0 . 34 . C . 35 . N . 35 . CA . 35 . C 1 1
29 . 1 1 35 ASP C 1 1 36 GLU N 1 1 36 GLU CA 1 1 36 GLU C -89.99999 -30.0 . 35 . C . 36 . N . 36 . CA . 36 . C 1 1
30 . 1 1 36 GLU C 1 1 37 GLY N 1 1 37 GLY CA 1 1 37 GLY C -89.99999 -30.0 . 36 . C . 37 . N . 37 . CA . 37 . C 1 1
31 . 1 1 37 GLY C 1 1 38 TYR N 1 1 38 TYR CA 1 1 38 TYR C -150.0 -89.99999 . 37 . C . 38 . N . 38 . CA . 38 . C 1 1
32 . 1 1 38 TYR C 1 1 39 ILE N 1 1 39 ILE CA 1 1 39 ILE C -150.0 -89.99999 . 38 . C . 39 . N . 39 . CA . 39 . C 1 1
33 . 1 1 40 GLY C 1 1 41 ALA N 1 1 41 ALA CA 1 1 41 ALA C -89.99999 -30.0 . 40 . C . 41 . N . 41 . CA . 41 . C 1 1
34 . 1 1 41 ALA C 1 1 42 ARG N 1 1 42 ARG CA 1 1 42 ARG C -150.0 -89.99999 . 41 . C . 42 . N . 42 . CA . 42 . C 1 1
35 . 1 1 43 CYS C 1 1 44 GLU N 1 1 44 GLU CA 1 1 44 GLU C -150.0 -89.99999 . 43 . C . 44 . N . 44 . CA . 44 . C 1 1
36 . 1 1 44 GLU C 1 1 45 ARG N 1 1 45 ARG CA 1 1 45 ARG C -160.0 -80.0 . 44 . C . 45 . N . 45 . CA . 45 . C 1 1
37 . 1 1 45 ARG C 1 1 46 VAL N 1 1 46 VAL CA 1 1 46 VAL C -150.0 -89.99999 . 45 . C . 46 . N . 46 . CA . 46 . C 1 1
38 . 1 1 46 VAL C 1 1 47 ASP N 1 1 47 ASP CA 1 1 47 ASP C -150.0 -89.99999 . 46 . C . 47 . N . 47 . CA . 47 . C 1 1
39 . 1 1 47 ASP C 1 1 48 LEU N 1 1 48 LEU CA 1 1 48 LEU C -160.0 -80.0 . 47 . C . 48 . N . 48 . CA . 48 . C 1 1
40 . 1 1 48 LEU C 1 1 49 PHE N 1 1 49 PHE CA 1 1 49 PHE C -89.99999 -30.0 . 48 . C . 49 . N . 49 . CA . 49 . C 1 1
41 . 1 1 49 PHE C 1 1 50 TYR N 1 1 50 TYR CA 1 1 50 TYR C -89.99999 -30.0 . 49 . C . 50 . N . 50 . CA . 50 . C 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 ARG C C -7.788 6.264 -16.820 1.00 . A A . 1 ARG C 1 1
1 2 1 1 1 ARG CA C -9.014 5.764 -17.598 1.00 . A A . 1 ARG CA 1 1
1 3 1 1 1 ARG CB C -10.284 6.487 -17.129 1.00 . A A . 1 ARG CB 1 1
1 4 1 1 1 ARG CD C -10.702 7.901 -19.158 1.00 . A A . 1 ARG CD 1 1
1 5 1 1 1 ARG CG C -11.216 6.723 -18.322 1.00 . A A . 1 ARG CG 1 1
1 6 1 1 1 ARG CZ C -11.377 10.230 -19.059 1.00 . A A . 1 ARG CZ 1 1
1 7 1 1 1 ARG H1 H -9.467 4.186 -16.305 1.00 . A A . 1 ARG H1 1 1
1 8 1 1 1 ARG H2 H -8.403 3.769 -17.562 1.00 . A A . 1 ARG H2 1 1
1 9 1 1 1 ARG H3 H -10.058 3.979 -17.882 1.00 . A A . 1 ARG H3 1 1
1 10 1 1 1 ARG HA H -8.874 5.919 -18.656 1.00 . A A . 1 ARG HA 1 1
1 11 1 1 1 ARG HB2 H -10.791 5.881 -16.391 1.00 . A A . 1 ARG HB2 1 1
1 12 1 1 1 ARG HB3 H -10.017 7.436 -16.690 1.00 . A A . 1 ARG HB3 1 1
1 13 1 1 1 ARG HD2 H -9.625 7.856 -19.245 1.00 . A A . 1 ARG HD2 1 1
1 14 1 1 1 ARG HD3 H -11.159 7.895 -20.135 1.00 . A A . 1 ARG HD3 1 1
1 15 1 1 1 ARG HE H -11.181 9.106 -17.432 1.00 . A A . 1 ARG HE 1 1
1 16 1 1 1 ARG HG2 H -11.246 5.834 -18.936 1.00 . A A . 1 ARG HG2 1 1
1 17 1 1 1 ARG HG3 H -12.210 6.945 -17.964 1.00 . A A . 1 ARG HG3 1 1
1 18 1 1 1 ARG HH11 H -9.452 10.656 -19.429 1.00 . A A . 1 ARG HH11 1 1
1 19 1 1 1 ARG HH12 H -10.601 11.794 -20.048 1.00 . A A . 1 ARG HH12 1 1
1 20 1 1 1 ARG HH21 H -13.365 10.066 -18.837 1.00 . A A . 1 ARG HH21 1 1
1 21 1 1 1 ARG HH22 H -12.822 11.459 -19.712 1.00 . A A . 1 ARG HH22 1 1
1 22 1 1 1 ARG N N -9.254 4.315 -17.315 1.00 . A A . 1 ARG N 1 1
1 23 1 1 1 ARG NE N -11.113 9.126 -18.410 1.00 . A A . 1 ARG NE 1 1
1 24 1 1 1 ARG NH1 N -10.400 10.950 -19.550 1.00 . A A . 1 ARG NH1 1 1
1 25 1 1 1 ARG NH2 N -12.618 10.615 -19.215 1.00 . A A . 1 ARG NH2 1 1
1 26 1 1 1 ARG O O -6.799 6.664 -17.405 1.00 . A A . 1 ARG O 1 1
1 27 1 1 2 LYS C C -6.483 5.793 -13.481 1.00 . A A . 2 LYS C 1 1
1 28 1 1 2 LYS CA C -6.692 6.720 -14.686 1.00 . A A . 2 LYS CA 1 1
1 29 1 1 2 LYS CB C -7.081 8.130 -14.224 1.00 . A A . 2 LYS CB 1 1
1 30 1 1 2 LYS CD C -7.829 9.640 -16.082 1.00 . A A . 2 LYS CD 1 1
1 31 1 1 2 LYS CE C -8.587 10.720 -15.301 1.00 . A A . 2 LYS CE 1 1
1 32 1 1 2 LYS CG C -6.625 9.161 -15.263 1.00 . A A . 2 LYS CG 1 1
1 33 1 1 2 LYS H H -8.661 5.920 -15.063 1.00 . A A . 2 LYS H 1 1
1 34 1 1 2 LYS HA H -5.796 6.763 -15.286 1.00 . A A . 2 LYS HA 1 1
1 35 1 1 2 LYS HB2 H -8.154 8.186 -14.105 1.00 . A A . 2 LYS HB2 1 1
1 36 1 1 2 LYS HB3 H -6.604 8.342 -13.279 1.00 . A A . 2 LYS HB3 1 1
1 37 1 1 2 LYS HD2 H -7.484 10.047 -17.021 1.00 . A A . 2 LYS HD2 1 1
1 38 1 1 2 LYS HD3 H -8.490 8.807 -16.272 1.00 . A A . 2 LYS HD3 1 1
1 39 1 1 2 LYS HE2 H -9.336 10.267 -14.666 1.00 . A A . 2 LYS HE2 1 1
1 40 1 1 2 LYS HE3 H -7.902 11.311 -14.714 1.00 . A A . 2 LYS HE3 1 1
1 41 1 1 2 LYS HG2 H -6.175 10.003 -14.759 1.00 . A A . 2 LYS HG2 1 1
1 42 1 1 2 LYS HG3 H -5.901 8.709 -15.925 1.00 . A A . 2 LYS HG3 1 1
1 43 1 1 2 LYS HZ1 H -8.506 11.970 -16.969 1.00 . A A . 2 LYS HZ1 1 1
1 44 1 1 2 LYS HZ2 H -9.752 12.348 -15.878 1.00 . A A . 2 LYS HZ2 1 1
1 45 1 1 2 LYS HZ3 H -9.895 10.999 -16.900 1.00 . A A . 2 LYS HZ3 1 1
1 46 1 1 2 LYS N N -7.850 6.246 -15.509 1.00 . A A . 2 LYS N 1 1
1 47 1 1 2 LYS NZ N -9.233 11.573 -16.341 1.00 . A A . 2 LYS NZ 1 1
1 48 1 1 2 LYS O O -5.413 5.246 -13.290 1.00 . A A . 2 LYS O 1 1
1 49 1 1 3 GLY C C -8.742 4.561 -10.818 1.00 . A A . 3 GLY C 1 1
1 50 1 1 3 GLY CA C -7.371 4.726 -11.477 1.00 . A A . 3 GLY CA 1 1
1 51 1 1 3 GLY H H -8.350 6.068 -12.849 1.00 . A A . 3 GLY H 1 1
1 52 1 1 3 GLY HA2 H -6.998 3.759 -11.786 1.00 . A A . 3 GLY HA2 1 1
1 53 1 1 3 GLY HA3 H -6.685 5.167 -10.769 1.00 . A A . 3 GLY HA3 1 1
1 54 1 1 3 GLY N N -7.499 5.615 -12.670 1.00 . A A . 3 GLY N 1 1
1 55 1 1 3 GLY O O -8.996 5.099 -9.756 1.00 . A A . 3 GLY O 1 1
1 56 1 1 4 HIS C C -11.108 2.234 -10.237 1.00 . A A . 4 HIS C 1 1
1 57 1 1 4 HIS CA C -10.994 3.629 -10.871 1.00 . A A . 4 HIS CA 1 1
1 58 1 1 4 HIS CB C -11.948 3.775 -12.064 1.00 . A A . 4 HIS CB 1 1
1 59 1 1 4 HIS CD2 C -14.060 4.124 -10.533 1.00 . A A . 4 HIS CD2 1 1
1 60 1 1 4 HIS CE1 C -14.995 5.729 -11.648 1.00 . A A . 4 HIS CE1 1 1
1 61 1 1 4 HIS CG C -13.247 4.387 -11.608 1.00 . A A . 4 HIS CG 1 1
1 62 1 1 4 HIS H H -9.397 3.411 -12.305 1.00 . A A . 4 HIS H 1 1
1 63 1 1 4 HIS HA H -11.204 4.390 -10.137 1.00 . A A . 4 HIS HA 1 1
1 64 1 1 4 HIS HB2 H -11.495 4.413 -12.810 1.00 . A A . 4 HIS HB2 1 1
1 65 1 1 4 HIS HB3 H -12.140 2.804 -12.494 1.00 . A A . 4 HIS HB3 1 1
1 66 1 1 4 HIS HD1 H -13.535 5.836 -13.127 1.00 . A A . 4 HIS HD1 1 1
1 67 1 1 4 HIS HD2 H -13.871 3.374 -9.779 1.00 . A A . 4 HIS HD2 1 1
1 68 1 1 4 HIS HE1 H -15.684 6.499 -11.962 1.00 . A A . 4 HIS HE1 1 1
1 69 1 1 4 HIS N N -9.629 3.828 -11.448 1.00 . A A . 4 HIS N 1 1
1 70 1 1 4 HIS ND1 N -13.864 5.414 -12.305 1.00 . A A . 4 HIS ND1 1 1
1 71 1 1 4 HIS NE2 N -15.162 4.972 -10.560 1.00 . A A . 4 HIS NE2 1 1
1 72 1 1 4 HIS O O -11.857 1.389 -10.694 1.00 . A A . 4 HIS O 1 1
1 73 1 1 5 PHE C C -10.900 0.827 -7.051 1.00 . A A . 5 PHE C 1 1
1 74 1 1 5 PHE CA C -10.427 0.657 -8.502 1.00 . A A . 5 PHE CA 1 1
1 75 1 1 5 PHE CB C -8.990 0.114 -8.542 1.00 . A A . 5 PHE CB 1 1
1 76 1 1 5 PHE CD1 C -8.984 -0.739 -10.917 1.00 . A A . 5 PHE CD1 1 1
1 77 1 1 5 PHE CD2 C -7.461 1.047 -10.313 1.00 . A A . 5 PHE CD2 1 1
1 78 1 1 5 PHE CE1 C -8.497 -0.712 -12.228 1.00 . A A . 5 PHE CE1 1 1
1 79 1 1 5 PHE CE2 C -6.973 1.076 -11.624 1.00 . A A . 5 PHE CE2 1 1
1 80 1 1 5 PHE CG C -8.465 0.140 -9.960 1.00 . A A . 5 PHE CG 1 1
1 81 1 1 5 PHE CZ C -7.491 0.196 -12.582 1.00 . A A . 5 PHE CZ 1 1
1 82 1 1 5 PHE H H -9.776 2.691 -8.829 1.00 . A A . 5 PHE H 1 1
1 83 1 1 5 PHE HA H -11.087 -0.008 -9.036 1.00 . A A . 5 PHE HA 1 1
1 84 1 1 5 PHE HB2 H -8.358 0.723 -7.913 1.00 . A A . 5 PHE HB2 1 1
1 85 1 1 5 PHE HB3 H -8.983 -0.903 -8.178 1.00 . A A . 5 PHE HB3 1 1
1 86 1 1 5 PHE HD1 H -9.759 -1.440 -10.644 1.00 . A A . 5 PHE HD1 1 1
1 87 1 1 5 PHE HD2 H -7.064 1.725 -9.572 1.00 . A A . 5 PHE HD2 1 1
1 88 1 1 5 PHE HE1 H -8.897 -1.390 -12.967 1.00 . A A . 5 PHE HE1 1 1
1 89 1 1 5 PHE HE2 H -6.198 1.776 -11.897 1.00 . A A . 5 PHE HE2 1 1
1 90 1 1 5 PHE HZ H -7.115 0.218 -13.595 1.00 . A A . 5 PHE HZ 1 1
1 91 1 1 5 PHE N N -10.369 1.992 -9.180 1.00 . A A . 5 PHE N 1 1
1 92 1 1 5 PHE O O -11.538 1.808 -6.711 1.00 . A A . 5 PHE O 1 1
1 93 1 1 6 SER C C -9.795 0.200 -3.867 1.00 . A A . 6 SER C 1 1
1 94 1 1 6 SER CA C -11.018 -0.009 -4.765 1.00 . A A . 6 SER CA 1 1
1 95 1 1 6 SER CB C -11.704 -1.338 -4.441 1.00 . A A . 6 SER CB 1 1
1 96 1 1 6 SER H H -10.072 -0.895 -6.491 1.00 . A A . 6 SER H 1 1
1 97 1 1 6 SER HA H -11.716 0.805 -4.642 1.00 . A A . 6 SER HA 1 1
1 98 1 1 6 SER HB2 H -11.045 -2.154 -4.678 1.00 . A A . 6 SER HB2 1 1
1 99 1 1 6 SER HB3 H -11.946 -1.368 -3.387 1.00 . A A . 6 SER HB3 1 1
1 100 1 1 6 SER HG H -13.630 -1.168 -4.673 1.00 . A A . 6 SER HG 1 1
1 101 1 1 6 SER N N -10.590 -0.117 -6.194 1.00 . A A . 6 SER N 1 1
1 102 1 1 6 SER O O -8.856 -0.575 -3.892 1.00 . A A . 6 SER O 1 1
1 103 1 1 6 SER OG O -12.892 -1.457 -5.215 1.00 . A A . 6 SER OG 1 1
1 104 1 1 7 ARG C C -8.734 0.626 -0.921 1.00 . A A . 7 ARG C 1 1
1 105 1 1 7 ARG CA C -8.646 1.514 -2.168 1.00 . A A . 7 ARG CA 1 1
1 106 1 1 7 ARG CB C -8.770 2.993 -1.789 1.00 . A A . 7 ARG CB 1 1
1 107 1 1 7 ARG CD C -7.192 4.934 -1.852 1.00 . A A . 7 ARG CD 1 1
1 108 1 1 7 ARG CG C -7.415 3.520 -1.306 1.00 . A A . 7 ARG CG 1 1
1 109 1 1 7 ARG CZ C -7.378 6.991 -0.579 1.00 . A A . 7 ARG CZ 1 1
1 110 1 1 7 ARG H H -10.574 1.850 -3.076 1.00 . A A . 7 ARG H 1 1
1 111 1 1 7 ARG HA H -7.715 1.344 -2.686 1.00 . A A . 7 ARG HA 1 1
1 112 1 1 7 ARG HB2 H -9.089 3.558 -2.654 1.00 . A A . 7 ARG HB2 1 1
1 113 1 1 7 ARG HB3 H -9.499 3.103 -1.000 1.00 . A A . 7 ARG HB3 1 1
1 114 1 1 7 ARG HD2 H -6.135 5.162 -1.877 1.00 . A A . 7 ARG HD2 1 1
1 115 1 1 7 ARG HD3 H -7.622 5.030 -2.837 1.00 . A A . 7 ARG HD3 1 1
1 116 1 1 7 ARG HE H -8.756 5.562 -0.506 1.00 . A A . 7 ARG HE 1 1
1 117 1 1 7 ARG HG2 H -7.403 3.543 -0.226 1.00 . A A . 7 ARG HG2 1 1
1 118 1 1 7 ARG HG3 H -6.628 2.871 -1.661 1.00 . A A . 7 ARG HG3 1 1
1 119 1 1 7 ARG HH11 H -6.345 6.270 0.983 1.00 . A A . 7 ARG HH11 1 1
1 120 1 1 7 ARG HH12 H -6.167 7.967 0.688 1.00 . A A . 7 ARG HH12 1 1
1 121 1 1 7 ARG HH21 H -8.290 7.980 -2.067 1.00 . A A . 7 ARG HH21 1 1
1 122 1 1 7 ARG HH22 H -7.272 8.939 -1.044 1.00 . A A . 7 ARG HH22 1 1
1 123 1 1 7 ARG N N -9.804 1.243 -3.075 1.00 . A A . 7 ARG N 1 1
1 124 1 1 7 ARG NE N -7.899 5.835 -0.896 1.00 . A A . 7 ARG NE 1 1
1 125 1 1 7 ARG NH1 N -6.567 7.083 0.444 1.00 . A A . 7 ARG NH1 1 1
1 126 1 1 7 ARG NH2 N -7.669 8.053 -1.285 1.00 . A A . 7 ARG NH2 1 1
1 127 1 1 7 ARG O O -9.805 0.392 -0.390 1.00 . A A . 7 ARG O 1 1
1 128 1 1 8 CYS C C -7.713 0.104 2.032 1.00 . A A . 8 CYS C 1 1
1 129 1 1 8 CYS CA C -7.628 -0.750 0.757 1.00 . A A . 8 CYS CA 1 1
1 130 1 1 8 CYS CB C -6.306 -1.521 0.711 1.00 . A A . 8 CYS CB 1 1
1 131 1 1 8 CYS H H -6.767 0.332 -0.902 1.00 . A A . 8 CYS H 1 1
1 132 1 1 8 CYS HA H -8.455 -1.440 0.708 1.00 . A A . 8 CYS HA 1 1
1 133 1 1 8 CYS HB2 H -5.509 -0.851 0.424 1.00 . A A . 8 CYS HB2 1 1
1 134 1 1 8 CYS HB3 H -6.095 -1.931 1.687 1.00 . A A . 8 CYS HB3 1 1
1 135 1 1 8 CYS HG H -7.052 -3.512 -0.159 1.00 . A A . 8 CYS HG 1 1
1 136 1 1 8 CYS N N -7.616 0.128 -0.454 1.00 . A A . 8 CYS N 1 1
1 137 1 1 8 CYS O O -6.890 0.976 2.245 1.00 . A A . 8 CYS O 1 1
1 138 1 1 8 CYS SG S -6.428 -2.866 -0.497 1.00 . A A . 8 CYS SG 1 1
1 139 1 1 9 PRO C C -7.901 0.127 5.174 1.00 . A A . 9 PRO C 1 1
1 140 1 1 9 PRO CA C -8.907 0.581 4.106 1.00 . A A . 9 PRO CA 1 1
1 141 1 1 9 PRO CB C -10.331 0.222 4.523 1.00 . A A . 9 PRO CB 1 1
1 142 1 1 9 PRO CD C -9.747 -1.204 2.653 1.00 . A A . 9 PRO CD 1 1
1 143 1 1 9 PRO CG C -10.607 -1.105 3.887 1.00 . A A . 9 PRO CG 1 1
1 144 1 1 9 PRO HA H -8.830 1.642 3.934 1.00 . A A . 9 PRO HA 1 1
1 145 1 1 9 PRO HB2 H -10.398 0.146 5.600 1.00 . A A . 9 PRO HB2 1 1
1 146 1 1 9 PRO HB3 H -11.027 0.959 4.154 1.00 . A A . 9 PRO HB3 1 1
1 147 1 1 9 PRO HD2 H -9.299 -2.187 2.585 1.00 . A A . 9 PRO HD2 1 1
1 148 1 1 9 PRO HD3 H -10.327 -0.990 1.769 1.00 . A A . 9 PRO HD3 1 1
1 149 1 1 9 PRO HG2 H -10.358 -1.900 4.577 1.00 . A A . 9 PRO HG2 1 1
1 150 1 1 9 PRO HG3 H -11.647 -1.171 3.610 1.00 . A A . 9 PRO HG3 1 1
1 151 1 1 9 PRO N N -8.713 -0.175 2.841 1.00 . A A . 9 PRO N 1 1
1 152 1 1 9 PRO O O -7.393 -0.980 5.130 1.00 . A A . 9 PRO O 1 1
1 153 1 1 10 LYS C C -7.141 -0.647 7.972 1.00 . A A . 10 LYS C 1 1
1 154 1 1 10 LYS CA C -6.656 0.604 7.225 1.00 . A A . 10 LYS CA 1 1
1 155 1 1 10 LYS CB C -6.628 1.809 8.170 1.00 . A A . 10 LYS CB 1 1
1 156 1 1 10 LYS CD C -5.366 3.871 8.807 1.00 . A A . 10 LYS CD 1 1
1 157 1 1 10 LYS CE C -3.892 4.242 8.999 1.00 . A A . 10 LYS CE 1 1
1 158 1 1 10 LYS CG C -5.482 2.744 7.777 1.00 . A A . 10 LYS CG 1 1
1 159 1 1 10 LYS H H -8.053 1.856 6.148 1.00 . A A . 10 LYS H 1 1
1 160 1 1 10 LYS HA H -5.673 0.438 6.813 1.00 . A A . 10 LYS HA 1 1
1 161 1 1 10 LYS HB2 H -7.567 2.340 8.105 1.00 . A A . 10 LYS HB2 1 1
1 162 1 1 10 LYS HB3 H -6.478 1.467 9.184 1.00 . A A . 10 LYS HB3 1 1
1 163 1 1 10 LYS HD2 H -5.914 4.734 8.458 1.00 . A A . 10 LYS HD2 1 1
1 164 1 1 10 LYS HD3 H -5.777 3.541 9.750 1.00 . A A . 10 LYS HD3 1 1
1 165 1 1 10 LYS HE2 H -3.373 3.452 9.526 1.00 . A A . 10 LYS HE2 1 1
1 166 1 1 10 LYS HE3 H -3.424 4.428 8.044 1.00 . A A . 10 LYS HE3 1 1
1 167 1 1 10 LYS HG2 H -4.558 2.185 7.745 1.00 . A A . 10 LYS HG2 1 1
1 168 1 1 10 LYS HG3 H -5.681 3.167 6.804 1.00 . A A . 10 LYS HG3 1 1
1 169 1 1 10 LYS HZ1 H -4.381 5.311 10.720 1.00 . A A . 10 LYS HZ1 1 1
1 170 1 1 10 LYS HZ2 H -4.414 6.238 9.296 1.00 . A A . 10 LYS HZ2 1 1
1 171 1 1 10 LYS HZ3 H -2.928 5.798 9.992 1.00 . A A . 10 LYS HZ3 1 1
1 172 1 1 10 LYS N N -7.622 0.975 6.137 1.00 . A A . 10 LYS N 1 1
1 173 1 1 10 LYS NZ N -3.905 5.491 9.813 1.00 . A A . 10 LYS NZ 1 1
1 174 1 1 10 LYS O O -6.346 -1.455 8.416 1.00 . A A . 10 LYS O 1 1
1 175 1 1 11 GLN C C -8.562 -3.306 8.097 1.00 . A A . 11 GLN C 1 1
1 176 1 1 11 GLN CA C -8.989 -2.014 8.812 1.00 . A A . 11 GLN CA 1 1
1 177 1 1 11 GLN CB C -10.512 -1.847 8.757 1.00 . A A . 11 GLN CB 1 1
1 178 1 1 11 GLN CD C -12.676 -2.831 9.539 1.00 . A A . 11 GLN CD 1 1
1 179 1 1 11 GLN CG C -11.170 -2.750 9.805 1.00 . A A . 11 GLN CG 1 1
1 180 1 1 11 GLN H H -9.054 -0.147 7.731 1.00 . A A . 11 GLN H 1 1
1 181 1 1 11 GLN HA H -8.658 -2.027 9.839 1.00 . A A . 11 GLN HA 1 1
1 182 1 1 11 GLN HB2 H -10.768 -0.817 8.958 1.00 . A A . 11 GLN HB2 1 1
1 183 1 1 11 GLN HB3 H -10.869 -2.121 7.775 1.00 . A A . 11 GLN HB3 1 1
1 184 1 1 11 GLN HE21 H -13.094 -1.166 10.542 1.00 . A A . 11 GLN HE21 1 1
1 185 1 1 11 GLN HE22 H -14.430 -1.951 9.849 1.00 . A A . 11 GLN HE22 1 1
1 186 1 1 11 GLN HG2 H -10.740 -3.739 9.748 1.00 . A A . 11 GLN HG2 1 1
1 187 1 1 11 GLN HG3 H -11.001 -2.340 10.790 1.00 . A A . 11 GLN HG3 1 1
1 188 1 1 11 GLN N N -8.439 -0.813 8.104 1.00 . A A . 11 GLN N 1 1
1 189 1 1 11 GLN NE2 N -13.465 -1.905 10.017 1.00 . A A . 11 GLN NE2 1 1
1 190 1 1 11 GLN O O -8.355 -4.325 8.726 1.00 . A A . 11 GLN O 1 1
1 191 1 1 11 GLN OE1 O -13.140 -3.748 8.890 1.00 . A A . 11 GLN OE1 1 1
1 192 1 1 12 TYR C C -6.524 -4.428 5.638 1.00 . A A . 12 TYR C 1 1
1 193 1 1 12 TYR CA C -8.009 -4.495 6.040 1.00 . A A . 12 TYR CA 1 1
1 194 1 1 12 TYR CB C -8.901 -4.522 4.796 1.00 . A A . 12 TYR CB 1 1
1 195 1 1 12 TYR CD1 C -10.028 -6.749 5.138 1.00 . A A . 12 TYR CD1 1 1
1 196 1 1 12 TYR CD2 C -11.365 -4.731 5.287 1.00 . A A . 12 TYR CD2 1 1
1 197 1 1 12 TYR CE1 C -11.165 -7.521 5.403 1.00 . A A . 12 TYR CE1 1 1
1 198 1 1 12 TYR CE2 C -12.502 -5.503 5.553 1.00 . A A . 12 TYR CE2 1 1
1 199 1 1 12 TYR CG C -10.129 -5.354 5.080 1.00 . A A . 12 TYR CG 1 1
1 200 1 1 12 TYR CZ C -12.401 -6.899 5.611 1.00 . A A . 12 TYR CZ 1 1
1 201 1 1 12 TYR H H -8.595 -2.434 6.302 1.00 . A A . 12 TYR H 1 1
1 202 1 1 12 TYR HA H -8.191 -5.376 6.635 1.00 . A A . 12 TYR HA 1 1
1 203 1 1 12 TYR HB2 H -9.197 -3.514 4.542 1.00 . A A . 12 TYR HB2 1 1
1 204 1 1 12 TYR HB3 H -8.357 -4.956 3.970 1.00 . A A . 12 TYR HB3 1 1
1 205 1 1 12 TYR HD1 H -9.073 -7.228 4.978 1.00 . A A . 12 TYR HD1 1 1
1 206 1 1 12 TYR HD2 H -11.442 -3.655 5.243 1.00 . A A . 12 TYR HD2 1 1
1 207 1 1 12 TYR HE1 H -11.087 -8.598 5.448 1.00 . A A . 12 TYR HE1 1 1
1 208 1 1 12 TYR HE2 H -13.456 -5.023 5.714 1.00 . A A . 12 TYR HE2 1 1
1 209 1 1 12 TYR HH H -13.583 -7.781 6.825 1.00 . A A . 12 TYR HH 1 1
1 210 1 1 12 TYR N N -8.426 -3.269 6.790 1.00 . A A . 12 TYR N 1 1
1 211 1 1 12 TYR O O -6.026 -5.310 4.964 1.00 . A A . 12 TYR O 1 1
1 212 1 1 12 TYR OH O -13.522 -7.661 5.874 1.00 . A A . 12 TYR OH 1 1
1 213 1 1 13 LYS C C -3.495 -3.969 6.765 1.00 . A A . 13 LYS C 1 1
1 214 1 1 13 LYS CA C -4.362 -3.295 5.688 1.00 . A A . 13 LYS CA 1 1
1 215 1 1 13 LYS CB C -4.076 -1.789 5.614 1.00 . A A . 13 LYS CB 1 1
1 216 1 1 13 LYS CD C -4.478 0.176 4.110 1.00 . A A . 13 LYS CD 1 1
1 217 1 1 13 LYS CE C -3.272 0.990 4.593 1.00 . A A . 13 LYS CE 1 1
1 218 1 1 13 LYS CG C -4.149 -1.320 4.158 1.00 . A A . 13 LYS CG 1 1
1 219 1 1 13 LYS H H -6.226 -2.702 6.595 1.00 . A A . 13 LYS H 1 1
1 220 1 1 13 LYS HA H -4.182 -3.750 4.726 1.00 . A A . 13 LYS HA 1 1
1 221 1 1 13 LYS HB2 H -4.808 -1.254 6.202 1.00 . A A . 13 LYS HB2 1 1
1 222 1 1 13 LYS HB3 H -3.089 -1.590 6.003 1.00 . A A . 13 LYS HB3 1 1
1 223 1 1 13 LYS HD2 H -4.718 0.457 3.095 1.00 . A A . 13 LYS HD2 1 1
1 224 1 1 13 LYS HD3 H -5.324 0.378 4.749 1.00 . A A . 13 LYS HD3 1 1
1 225 1 1 13 LYS HE2 H -3.070 0.780 5.635 1.00 . A A . 13 LYS HE2 1 1
1 226 1 1 13 LYS HE3 H -2.406 0.771 3.990 1.00 . A A . 13 LYS HE3 1 1
1 227 1 1 13 LYS HG2 H -3.198 -1.496 3.676 1.00 . A A . 13 LYS HG2 1 1
1 228 1 1 13 LYS HG3 H -4.920 -1.872 3.641 1.00 . A A . 13 LYS HG3 1 1
1 229 1 1 13 LYS HZ1 H -3.844 2.607 3.409 1.00 . A A . 13 LYS HZ1 1 1
1 230 1 1 13 LYS HZ2 H -2.902 3.033 4.757 1.00 . A A . 13 LYS HZ2 1 1
1 231 1 1 13 LYS HZ3 H -4.534 2.609 4.959 1.00 . A A . 13 LYS HZ3 1 1
1 232 1 1 13 LYS N N -5.811 -3.400 6.047 1.00 . A A . 13 LYS N 1 1
1 233 1 1 13 LYS NZ N -3.668 2.417 4.416 1.00 . A A . 13 LYS NZ 1 1
1 234 1 1 13 LYS O O -2.561 -3.383 7.285 1.00 . A A . 13 LYS O 1 1
1 235 1 1 14 HIS C C -1.709 -6.520 7.479 1.00 . A A . 14 HIS C 1 1
1 236 1 1 14 HIS CA C -2.962 -5.919 8.125 1.00 . A A . 14 HIS CA 1 1
1 237 1 1 14 HIS CB C -3.867 -7.031 8.668 1.00 . A A . 14 HIS CB 1 1
1 238 1 1 14 HIS CD2 C -4.646 -5.696 10.797 1.00 . A A . 14 HIS CD2 1 1
1 239 1 1 14 HIS CE1 C -6.778 -6.039 10.619 1.00 . A A . 14 HIS CE1 1 1
1 240 1 1 14 HIS CG C -4.834 -6.461 9.671 1.00 . A A . 14 HIS CG 1 1
1 241 1 1 14 HIS H H -4.521 -5.676 6.643 1.00 . A A . 14 HIS H 1 1
1 242 1 1 14 HIS HA H -2.690 -5.241 8.919 1.00 . A A . 14 HIS HA 1 1
1 243 1 1 14 HIS HB2 H -4.417 -7.478 7.853 1.00 . A A . 14 HIS HB2 1 1
1 244 1 1 14 HIS HB3 H -3.259 -7.785 9.146 1.00 . A A . 14 HIS HB3 1 1
1 245 1 1 14 HIS HD1 H -6.664 -7.178 8.882 1.00 . A A . 14 HIS HD1 1 1
1 246 1 1 14 HIS HD2 H -3.690 -5.354 11.164 1.00 . A A . 14 HIS HD2 1 1
1 247 1 1 14 HIS HE1 H -7.842 -6.027 10.805 1.00 . A A . 14 HIS HE1 1 1
1 248 1 1 14 HIS N N -3.778 -5.210 7.087 1.00 . A A . 14 HIS N 1 1
1 249 1 1 14 HIS ND1 N -6.201 -6.667 9.578 1.00 . A A . 14 HIS ND1 1 1
1 250 1 1 14 HIS NE2 N -5.875 -5.431 11.393 1.00 . A A . 14 HIS NE2 1 1
1 251 1 1 14 HIS O O -0.736 -6.809 8.151 1.00 . A A . 14 HIS O 1 1
1 252 1 1 15 TYR C C 0.529 -6.074 5.279 1.00 . A A . 15 TYR C 1 1
1 253 1 1 15 TYR CA C -0.504 -7.201 5.474 1.00 . A A . 15 TYR CA 1 1
1 254 1 1 15 TYR CB C -0.983 -7.746 4.108 1.00 . A A . 15 TYR CB 1 1
1 255 1 1 15 TYR CD1 C -1.492 -5.552 2.947 1.00 . A A . 15 TYR CD1 1 1
1 256 1 1 15 TYR CD2 C -3.300 -7.126 3.313 1.00 . A A . 15 TYR CD2 1 1
1 257 1 1 15 TYR CE1 C -2.389 -4.666 2.338 1.00 . A A . 15 TYR CE1 1 1
1 258 1 1 15 TYR CE2 C -4.196 -6.239 2.706 1.00 . A A . 15 TYR CE2 1 1
1 259 1 1 15 TYR CG C -1.947 -6.783 3.436 1.00 . A A . 15 TYR CG 1 1
1 260 1 1 15 TYR CZ C -3.740 -5.009 2.220 1.00 . A A . 15 TYR CZ 1 1
1 261 1 1 15 TYR H H -2.497 -6.396 5.661 1.00 . A A . 15 TYR H 1 1
1 262 1 1 15 TYR HA H -0.069 -8.002 6.051 1.00 . A A . 15 TYR HA 1 1
1 263 1 1 15 TYR HB2 H -0.127 -7.892 3.466 1.00 . A A . 15 TYR HB2 1 1
1 264 1 1 15 TYR HB3 H -1.476 -8.695 4.259 1.00 . A A . 15 TYR HB3 1 1
1 265 1 1 15 TYR HD1 H -0.450 -5.287 3.035 1.00 . A A . 15 TYR HD1 1 1
1 266 1 1 15 TYR HD2 H -3.652 -8.075 3.689 1.00 . A A . 15 TYR HD2 1 1
1 267 1 1 15 TYR HE1 H -2.038 -3.716 1.962 1.00 . A A . 15 TYR HE1 1 1
1 268 1 1 15 TYR HE2 H -5.239 -6.505 2.610 1.00 . A A . 15 TYR HE2 1 1
1 269 1 1 15 TYR HH H -5.067 -3.643 2.327 1.00 . A A . 15 TYR HH 1 1
1 270 1 1 15 TYR N N -1.713 -6.666 6.176 1.00 . A A . 15 TYR N 1 1
1 271 1 1 15 TYR O O 1.664 -6.330 4.924 1.00 . A A . 15 TYR O 1 1
1 272 1 1 15 TYR OH O -4.625 -4.133 1.629 1.00 . A A . 15 TYR OH 1 1
1 273 1 1 16 CYS C C 0.840 -2.610 6.389 1.00 . A A . 16 CYS C 1 1
1 274 1 1 16 CYS CA C 1.114 -3.698 5.345 1.00 . A A . 16 CYS CA 1 1
1 275 1 1 16 CYS CB C 0.864 -3.162 3.932 1.00 . A A . 16 CYS CB 1 1
1 276 1 1 16 CYS H H -0.774 -4.636 5.806 1.00 . A A . 16 CYS H 1 1
1 277 1 1 16 CYS HA H 2.130 -4.053 5.430 1.00 . A A . 16 CYS HA 1 1
1 278 1 1 16 CYS HB2 H -0.174 -3.305 3.670 1.00 . A A . 16 CYS HB2 1 1
1 279 1 1 16 CYS HB3 H 1.102 -2.109 3.899 1.00 . A A . 16 CYS HB3 1 1
1 280 1 1 16 CYS HG H 1.777 -4.993 2.889 1.00 . A A . 16 CYS HG 1 1
1 281 1 1 16 CYS N N 0.148 -4.828 5.515 1.00 . A A . 16 CYS N 1 1
1 282 1 1 16 CYS O O -0.203 -1.980 6.380 1.00 . A A . 16 CYS O 1 1
1 283 1 1 16 CYS SG S 1.911 -4.052 2.753 1.00 . A A . 16 CYS SG 1 1
1 284 1 1 17 ILE C C 1.666 0.060 7.713 1.00 . A A . 17 ILE C 1 1
1 285 1 1 17 ILE CA C 1.561 -1.341 8.341 1.00 . A A . 17 ILE CA 1 1
1 286 1 1 17 ILE CB C 2.673 -1.579 9.376 1.00 . A A . 17 ILE CB 1 1
1 287 1 1 17 ILE CD1 C 1.033 -2.872 10.788 1.00 . A A . 17 ILE CD1 1 1
1 288 1 1 17 ILE CG1 C 2.416 -2.897 10.128 1.00 . A A . 17 ILE CG1 1 1
1 289 1 1 17 ILE CG2 C 2.714 -0.419 10.377 1.00 . A A . 17 ILE CG2 1 1
1 290 1 1 17 ILE H H 2.598 -2.912 7.277 1.00 . A A . 17 ILE H 1 1
1 291 1 1 17 ILE HA H 0.595 -1.466 8.805 1.00 . A A . 17 ILE HA 1 1
1 292 1 1 17 ILE HB H 3.620 -1.641 8.867 1.00 . A A . 17 ILE HB 1 1
1 293 1 1 17 ILE HD11 H 0.286 -3.177 10.070 1.00 . A A . 17 ILE HD11 1 1
1 294 1 1 17 ILE HD12 H 0.815 -1.872 11.132 1.00 . A A . 17 ILE HD12 1 1
1 295 1 1 17 ILE HD13 H 1.022 -3.552 11.628 1.00 . A A . 17 ILE HD13 1 1
1 296 1 1 17 ILE HG12 H 2.466 -3.721 9.431 1.00 . A A . 17 ILE HG12 1 1
1 297 1 1 17 ILE HG13 H 3.172 -3.027 10.888 1.00 . A A . 17 ILE HG13 1 1
1 298 1 1 17 ILE HG21 H 3.280 -0.713 11.249 1.00 . A A . 17 ILE HG21 1 1
1 299 1 1 17 ILE HG22 H 1.707 -0.162 10.672 1.00 . A A . 17 ILE HG22 1 1
1 300 1 1 17 ILE HG23 H 3.183 0.437 9.916 1.00 . A A . 17 ILE HG23 1 1
1 301 1 1 17 ILE N N 1.767 -2.388 7.291 1.00 . A A . 17 ILE N 1 1
1 302 1 1 17 ILE O O 0.697 0.794 7.675 1.00 . A A . 17 ILE O 1 1
1 303 1 1 18 LYS C C 2.988 1.646 5.041 1.00 . A A . 18 LYS C 1 1
1 304 1 1 18 LYS CA C 2.968 1.782 6.576 1.00 . A A . 18 LYS CA 1 1
1 305 1 1 18 LYS CB C 4.286 2.363 7.126 1.00 . A A . 18 LYS CB 1 1
1 306 1 1 18 LYS CD C 6.683 1.729 7.510 1.00 . A A . 18 LYS CD 1 1
1 307 1 1 18 LYS CE C 7.137 3.190 7.610 1.00 . A A . 18 LYS CE 1 1
1 308 1 1 18 LYS CG C 5.498 1.619 6.546 1.00 . A A . 18 LYS CG 1 1
1 309 1 1 18 LYS H H 3.590 -0.180 7.243 1.00 . A A . 18 LYS H 1 1
1 310 1 1 18 LYS HA H 2.144 2.414 6.873 1.00 . A A . 18 LYS HA 1 1
1 311 1 1 18 LYS HB2 H 4.351 3.408 6.860 1.00 . A A . 18 LYS HB2 1 1
1 312 1 1 18 LYS HB3 H 4.293 2.269 8.201 1.00 . A A . 18 LYS HB3 1 1
1 313 1 1 18 LYS HD2 H 6.385 1.374 8.487 1.00 . A A . 18 LYS HD2 1 1
1 314 1 1 18 LYS HD3 H 7.499 1.125 7.143 1.00 . A A . 18 LYS HD3 1 1
1 315 1 1 18 LYS HE2 H 8.169 3.282 7.298 1.00 . A A . 18 LYS HE2 1 1
1 316 1 1 18 LYS HE3 H 6.505 3.823 7.008 1.00 . A A . 18 LYS HE3 1 1
1 317 1 1 18 LYS HG2 H 5.247 0.581 6.404 1.00 . A A . 18 LYS HG2 1 1
1 318 1 1 18 LYS HG3 H 5.769 2.056 5.597 1.00 . A A . 18 LYS HG3 1 1
1 319 1 1 18 LYS HZ1 H 7.270 4.539 9.191 1.00 . A A . 18 LYS HZ1 1 1
1 320 1 1 18 LYS HZ2 H 7.609 2.931 9.624 1.00 . A A . 18 LYS HZ2 1 1
1 321 1 1 18 LYS HZ3 H 6.005 3.420 9.345 1.00 . A A . 18 LYS HZ3 1 1
1 322 1 1 18 LYS N N 2.823 0.431 7.211 1.00 . A A . 18 LYS N 1 1
1 323 1 1 18 LYS NZ N 6.994 3.546 9.051 1.00 . A A . 18 LYS NZ 1 1
1 324 1 1 18 LYS O O 3.891 2.112 4.366 1.00 . A A . 18 LYS O 1 1
1 325 1 1 19 GLY C C 0.458 0.762 2.555 1.00 . A A . 19 GLY C 1 1
1 326 1 1 19 GLY CA C 1.921 0.832 3.008 1.00 . A A . 19 GLY CA 1 1
1 327 1 1 19 GLY H H 1.268 0.644 5.051 1.00 . A A . 19 GLY H 1 1
1 328 1 1 19 GLY HA2 H 2.408 1.668 2.525 1.00 . A A . 19 GLY HA2 1 1
1 329 1 1 19 GLY HA3 H 2.422 -0.084 2.734 1.00 . A A . 19 GLY HA3 1 1
1 330 1 1 19 GLY N N 1.984 1.007 4.488 1.00 . A A . 19 GLY N 1 1
1 331 1 1 19 GLY O O -0.373 0.156 3.205 1.00 . A A . 19 GLY O 1 1
1 332 1 1 20 ARG C C -1.468 0.136 0.007 1.00 . A A . 20 ARG C 1 1
1 333 1 1 20 ARG CA C -1.261 1.353 0.919 1.00 . A A . 20 ARG CA 1 1
1 334 1 1 20 ARG CB C -1.406 2.653 0.116 1.00 . A A . 20 ARG CB 1 1
1 335 1 1 20 ARG CD C -0.906 5.093 0.282 1.00 . A A . 20 ARG CD 1 1
1 336 1 1 20 ARG CG C -1.353 3.854 1.062 1.00 . A A . 20 ARG CG 1 1
1 337 1 1 20 ARG CZ C -1.103 7.425 0.909 1.00 . A A . 20 ARG CZ 1 1
1 338 1 1 20 ARG H H 0.842 1.848 0.935 1.00 . A A . 20 ARG H 1 1
1 339 1 1 20 ARG HA H -1.968 1.341 1.735 1.00 . A A . 20 ARG HA 1 1
1 340 1 1 20 ARG HB2 H -0.601 2.723 -0.600 1.00 . A A . 20 ARG HB2 1 1
1 341 1 1 20 ARG HB3 H -2.351 2.652 -0.406 1.00 . A A . 20 ARG HB3 1 1
1 342 1 1 20 ARG HD2 H 0.078 4.936 -0.137 1.00 . A A . 20 ARG HD2 1 1
1 343 1 1 20 ARG HD3 H -1.616 5.322 -0.497 1.00 . A A . 20 ARG HD3 1 1
1 344 1 1 20 ARG HE H -0.685 5.998 2.227 1.00 . A A . 20 ARG HE 1 1
1 345 1 1 20 ARG HG2 H -2.334 4.025 1.482 1.00 . A A . 20 ARG HG2 1 1
1 346 1 1 20 ARG HG3 H -0.649 3.658 1.857 1.00 . A A . 20 ARG HG3 1 1
1 347 1 1 20 ARG HH11 H 0.792 7.761 0.343 1.00 . A A . 20 ARG HH11 1 1
1 348 1 1 20 ARG HH12 H -0.298 9.091 0.133 1.00 . A A . 20 ARG HH12 1 1
1 349 1 1 20 ARG HH21 H -3.052 7.373 1.385 1.00 . A A . 20 ARG HH21 1 1
1 350 1 1 20 ARG HH22 H -2.482 8.871 0.727 1.00 . A A . 20 ARG HH22 1 1
1 351 1 1 20 ARG N N 0.146 1.374 1.438 1.00 . A A . 20 ARG N 1 1
1 352 1 1 20 ARG NE N -0.876 6.195 1.286 1.00 . A A . 20 ARG NE 1 1
1 353 1 1 20 ARG NH1 N -0.127 8.149 0.424 1.00 . A A . 20 ARG NH1 1 1
1 354 1 1 20 ARG NH2 N -2.306 7.929 1.015 1.00 . A A . 20 ARG NH2 1 1
1 355 1 1 20 ARG O O -0.566 -0.654 -0.194 1.00 . A A . 20 ARG O 1 1
1 356 1 1 21 CYS C C -4.109 -0.908 -2.358 1.00 . A A . 21 CYS C 1 1
1 357 1 1 21 CYS CA C -2.913 -1.193 -1.439 1.00 . A A . 21 CYS CA 1 1
1 358 1 1 21 CYS CB C -3.217 -2.358 -0.490 1.00 . A A . 21 CYS CB 1 1
1 359 1 1 21 CYS H H -3.367 0.621 -0.363 1.00 . A A . 21 CYS H 1 1
1 360 1 1 21 CYS HA H -2.037 -1.417 -2.026 1.00 . A A . 21 CYS HA 1 1
1 361 1 1 21 CYS HB2 H -2.290 -2.763 -0.113 1.00 . A A . 21 CYS HB2 1 1
1 362 1 1 21 CYS HB3 H -3.813 -2.002 0.336 1.00 . A A . 21 CYS HB3 1 1
1 363 1 1 21 CYS HG H -3.483 -4.217 -1.816 1.00 . A A . 21 CYS HG 1 1
1 364 1 1 21 CYS N N -2.651 -0.025 -0.542 1.00 . A A . 21 CYS N 1 1
1 365 1 1 21 CYS O O -5.107 -0.349 -1.940 1.00 . A A . 21 CYS O 1 1
1 366 1 1 21 CYS SG S -4.124 -3.657 -1.372 1.00 . A A . 21 CYS SG 1 1
1 367 1 1 22 ARG C C -5.735 -2.419 -4.984 1.00 . A A . 22 ARG C 1 1
1 368 1 1 22 ARG CA C -5.135 -1.072 -4.562 1.00 . A A . 22 ARG CA 1 1
1 369 1 1 22 ARG CB C -4.506 -0.357 -5.762 1.00 . A A . 22 ARG CB 1 1
1 370 1 1 22 ARG CD C -5.137 1.845 -6.780 1.00 . A A . 22 ARG CD 1 1
1 371 1 1 22 ARG CG C -5.591 0.401 -6.534 1.00 . A A . 22 ARG CG 1 1
1 372 1 1 22 ARG CZ C -4.000 2.938 -8.624 1.00 . A A . 22 ARG CZ 1 1
1 373 1 1 22 ARG H H -3.199 -1.754 -3.911 1.00 . A A . 22 ARG H 1 1
1 374 1 1 22 ARG HA H -5.892 -0.447 -4.114 1.00 . A A . 22 ARG HA 1 1
1 375 1 1 22 ARG HB2 H -3.757 0.340 -5.413 1.00 . A A . 22 ARG HB2 1 1
1 376 1 1 22 ARG HB3 H -4.045 -1.083 -6.414 1.00 . A A . 22 ARG HB3 1 1
1 377 1 1 22 ARG HD2 H -5.995 2.502 -6.825 1.00 . A A . 22 ARG HD2 1 1
1 378 1 1 22 ARG HD3 H -4.461 2.164 -6.001 1.00 . A A . 22 ARG HD3 1 1
1 379 1 1 22 ARG HE H -4.282 0.972 -8.560 1.00 . A A . 22 ARG HE 1 1
1 380 1 1 22 ARG HG2 H -5.767 -0.089 -7.481 1.00 . A A . 22 ARG HG2 1 1
1 381 1 1 22 ARG HG3 H -6.505 0.407 -5.959 1.00 . A A . 22 ARG HG3 1 1
1 382 1 1 22 ARG HH11 H -2.249 2.910 -7.646 1.00 . A A . 22 ARG HH11 1 1
1 383 1 1 22 ARG HH12 H -2.493 4.260 -8.703 1.00 . A A . 22 ARG HH12 1 1
1 384 1 1 22 ARG HH21 H -5.650 3.228 -9.727 1.00 . A A . 22 ARG HH21 1 1
1 385 1 1 22 ARG HH22 H -4.425 4.440 -9.885 1.00 . A A . 22 ARG HH22 1 1
1 386 1 1 22 ARG N N -4.013 -1.300 -3.605 1.00 . A A . 22 ARG N 1 1
1 387 1 1 22 ARG NE N -4.428 1.822 -8.094 1.00 . A A . 22 ARG NE 1 1
1 388 1 1 22 ARG NH1 N -2.822 3.406 -8.299 1.00 . A A . 22 ARG NH1 1 1
1 389 1 1 22 ARG NH2 N -4.750 3.586 -9.479 1.00 . A A . 22 ARG NH2 1 1
1 390 1 1 22 ARG O O -5.111 -3.196 -5.687 1.00 . A A . 22 ARG O 1 1
1 391 1 1 23 PHE C C -8.525 -3.785 -6.123 1.00 . A A . 23 PHE C 1 1
1 392 1 1 23 PHE CA C -7.592 -3.993 -4.925 1.00 . A A . 23 PHE CA 1 1
1 393 1 1 23 PHE CB C -8.392 -4.416 -3.685 1.00 . A A . 23 PHE CB 1 1
1 394 1 1 23 PHE CD1 C -9.153 -6.584 -4.743 1.00 . A A . 23 PHE CD1 1 1
1 395 1 1 23 PHE CD2 C -8.091 -6.658 -2.562 1.00 . A A . 23 PHE CD2 1 1
1 396 1 1 23 PHE CE1 C -9.296 -7.976 -4.721 1.00 . A A . 23 PHE CE1 1 1
1 397 1 1 23 PHE CE2 C -8.236 -8.051 -2.542 1.00 . A A . 23 PHE CE2 1 1
1 398 1 1 23 PHE CG C -8.549 -5.923 -3.663 1.00 . A A . 23 PHE CG 1 1
1 399 1 1 23 PHE CZ C -8.838 -8.710 -3.621 1.00 . A A . 23 PHE CZ 1 1
1 400 1 1 23 PHE H H -7.420 -2.058 -3.988 1.00 . A A . 23 PHE H 1 1
1 401 1 1 23 PHE HA H -6.846 -4.739 -5.153 1.00 . A A . 23 PHE HA 1 1
1 402 1 1 23 PHE HB2 H -7.870 -4.097 -2.795 1.00 . A A . 23 PHE HB2 1 1
1 403 1 1 23 PHE HB3 H -9.369 -3.955 -3.713 1.00 . A A . 23 PHE HB3 1 1
1 404 1 1 23 PHE HD1 H -9.508 -6.020 -5.592 1.00 . A A . 23 PHE HD1 1 1
1 405 1 1 23 PHE HD2 H -7.626 -6.152 -1.728 1.00 . A A . 23 PHE HD2 1 1
1 406 1 1 23 PHE HE1 H -9.760 -8.485 -5.553 1.00 . A A . 23 PHE HE1 1 1
1 407 1 1 23 PHE HE2 H -7.882 -8.619 -1.693 1.00 . A A . 23 PHE HE2 1 1
1 408 1 1 23 PHE HZ H -8.948 -9.784 -3.605 1.00 . A A . 23 PHE HZ 1 1
1 409 1 1 23 PHE N N -6.941 -2.700 -4.555 1.00 . A A . 23 PHE N 1 1
1 410 1 1 23 PHE O O -9.504 -3.068 -6.038 1.00 . A A . 23 PHE O 1 1
1 411 1 1 24 VAL C C -10.240 -5.299 -8.369 1.00 . A A . 24 VAL C 1 1
1 412 1 1 24 VAL CA C -9.108 -4.263 -8.438 1.00 . A A . 24 VAL CA 1 1
1 413 1 1 24 VAL CB C -8.196 -4.517 -9.646 1.00 . A A . 24 VAL CB 1 1
1 414 1 1 24 VAL CG1 C -8.990 -4.327 -10.942 1.00 . A A . 24 VAL CG1 1 1
1 415 1 1 24 VAL CG2 C -7.022 -3.529 -9.624 1.00 . A A . 24 VAL CG2 1 1
1 416 1 1 24 VAL H H -7.440 -4.992 -7.276 1.00 . A A . 24 VAL H 1 1
1 417 1 1 24 VAL HA H -9.515 -3.264 -8.485 1.00 . A A . 24 VAL HA 1 1
1 418 1 1 24 VAL HB H -7.819 -5.528 -9.603 1.00 . A A . 24 VAL HB 1 1
1 419 1 1 24 VAL HG11 H -8.549 -4.924 -11.726 1.00 . A A . 24 VAL HG11 1 1
1 420 1 1 24 VAL HG12 H -8.969 -3.286 -11.228 1.00 . A A . 24 VAL HG12 1 1
1 421 1 1 24 VAL HG13 H -10.013 -4.636 -10.787 1.00 . A A . 24 VAL HG13 1 1
1 422 1 1 24 VAL HG21 H -6.913 -3.076 -10.599 1.00 . A A . 24 VAL HG21 1 1
1 423 1 1 24 VAL HG22 H -6.114 -4.056 -9.370 1.00 . A A . 24 VAL HG22 1 1
1 424 1 1 24 VAL HG23 H -7.210 -2.761 -8.888 1.00 . A A . 24 VAL HG23 1 1
1 425 1 1 24 VAL N N -8.232 -4.414 -7.235 1.00 . A A . 24 VAL N 1 1
1 426 1 1 24 VAL O O -9.995 -6.495 -8.360 1.00 . A A . 24 VAL O 1 1
1 427 1 1 25 VAL C C -12.994 -6.357 -9.585 1.00 . A A . 25 VAL C 1 1
1 428 1 1 25 VAL CA C -12.637 -5.785 -8.205 1.00 . A A . 25 VAL CA 1 1
1 429 1 1 25 VAL CB C -13.795 -4.946 -7.643 1.00 . A A . 25 VAL CB 1 1
1 430 1 1 25 VAL CG1 C -15.073 -5.790 -7.600 1.00 . A A . 25 VAL CG1 1 1
1 431 1 1 25 VAL CG2 C -13.450 -4.483 -6.224 1.00 . A A . 25 VAL CG2 1 1
1 432 1 1 25 VAL H H -11.629 -3.874 -8.294 1.00 . A A . 25 VAL H 1 1
1 433 1 1 25 VAL HA H -12.407 -6.587 -7.521 1.00 . A A . 25 VAL HA 1 1
1 434 1 1 25 VAL HB H -13.955 -4.085 -8.276 1.00 . A A . 25 VAL HB 1 1
1 435 1 1 25 VAL HG11 H -15.404 -5.995 -8.607 1.00 . A A . 25 VAL HG11 1 1
1 436 1 1 25 VAL HG12 H -15.843 -5.250 -7.070 1.00 . A A . 25 VAL HG12 1 1
1 437 1 1 25 VAL HG13 H -14.872 -6.722 -7.090 1.00 . A A . 25 VAL HG13 1 1
1 438 1 1 25 VAL HG21 H -13.154 -5.334 -5.629 1.00 . A A . 25 VAL HG21 1 1
1 439 1 1 25 VAL HG22 H -14.316 -4.016 -5.777 1.00 . A A . 25 VAL HG22 1 1
1 440 1 1 25 VAL HG23 H -12.638 -3.772 -6.264 1.00 . A A . 25 VAL HG23 1 1
1 441 1 1 25 VAL N N -11.472 -4.842 -8.299 1.00 . A A . 25 VAL N 1 1
1 442 1 1 25 VAL O O -13.028 -7.561 -9.760 1.00 . A A . 25 VAL O 1 1
1 443 1 1 26 ALA C C -12.560 -7.044 -12.377 1.00 . A A . 26 ALA C 1 1
1 444 1 1 26 ALA CA C -13.613 -6.023 -11.933 1.00 . A A . 26 ALA CA 1 1
1 445 1 1 26 ALA CB C -13.598 -4.794 -12.848 1.00 . A A . 26 ALA CB 1 1
1 446 1 1 26 ALA H H -13.228 -4.545 -10.395 1.00 . A A . 26 ALA H 1 1
1 447 1 1 26 ALA HA H -14.595 -6.470 -11.927 1.00 . A A . 26 ALA HA 1 1
1 448 1 1 26 ALA HB1 H -14.423 -4.144 -12.592 1.00 . A A . 26 ALA HB1 1 1
1 449 1 1 26 ALA HB2 H -13.696 -5.110 -13.876 1.00 . A A . 26 ALA HB2 1 1
1 450 1 1 26 ALA HB3 H -12.667 -4.261 -12.722 1.00 . A A . 26 ALA HB3 1 1
1 451 1 1 26 ALA N N -13.262 -5.511 -10.563 1.00 . A A . 26 ALA N 1 1
1 452 1 1 26 ALA O O -12.873 -8.180 -12.684 1.00 . A A . 26 ALA O 1 1
1 453 1 1 27 GLU C C -9.481 -7.974 -11.441 1.00 . A A . 27 GLU C 1 1
1 454 1 1 27 GLU CA C -10.213 -7.588 -12.730 1.00 . A A . 27 GLU CA 1 1
1 455 1 1 27 GLU CB C -9.301 -6.796 -13.677 1.00 . A A . 27 GLU CB 1 1
1 456 1 1 27 GLU CD C -8.154 -6.811 -15.901 1.00 . A A . 27 GLU CD 1 1
1 457 1 1 27 GLU CG C -9.060 -7.604 -14.955 1.00 . A A . 27 GLU CG 1 1
1 458 1 1 27 GLU H H -11.095 -5.739 -12.078 1.00 . A A . 27 GLU H 1 1
1 459 1 1 27 GLU HA H -10.605 -8.464 -13.225 1.00 . A A . 27 GLU HA 1 1
1 460 1 1 27 GLU HB2 H -9.772 -5.857 -13.930 1.00 . A A . 27 GLU HB2 1 1
1 461 1 1 27 GLU HB3 H -8.355 -6.605 -13.193 1.00 . A A . 27 GLU HB3 1 1
1 462 1 1 27 GLU HG2 H -8.587 -8.543 -14.703 1.00 . A A . 27 GLU HG2 1 1
1 463 1 1 27 GLU HG3 H -10.005 -7.797 -15.442 1.00 . A A . 27 GLU HG3 1 1
1 464 1 1 27 GLU N N -11.312 -6.651 -12.364 1.00 . A A . 27 GLU N 1 1
1 465 1 1 27 GLU O O -8.608 -7.263 -10.989 1.00 . A A . 27 GLU O 1 1
1 466 1 1 27 GLU OE1 O -6.947 -6.883 -15.733 1.00 . A A . 27 GLU OE1 1 1
1 467 1 1 27 GLU OE2 O -8.682 -6.146 -16.777 1.00 . A A . 27 GLU OE2 1 1
1 468 1 1 28 GLN C C -7.734 -9.273 -9.511 1.00 . A A . 28 GLN C 1 1
1 469 1 1 28 GLN CA C -9.249 -9.528 -9.538 1.00 . A A . 28 GLN CA 1 1
1 470 1 1 28 GLN CB C -9.546 -11.030 -9.460 1.00 . A A . 28 GLN CB 1 1
1 471 1 1 28 GLN CD C -10.318 -12.736 -7.802 1.00 . A A . 28 GLN CD 1 1
1 472 1 1 28 GLN CG C -9.435 -11.502 -8.008 1.00 . A A . 28 GLN CG 1 1
1 473 1 1 28 GLN H H -10.605 -9.601 -11.221 1.00 . A A . 28 GLN H 1 1
1 474 1 1 28 GLN HA H -9.721 -9.026 -8.709 1.00 . A A . 28 GLN HA 1 1
1 475 1 1 28 GLN HB2 H -10.546 -11.219 -9.824 1.00 . A A . 28 GLN HB2 1 1
1 476 1 1 28 GLN HB3 H -8.835 -11.571 -10.067 1.00 . A A . 28 GLN HB3 1 1
1 477 1 1 28 GLN HE21 H -8.991 -14.000 -8.574 1.00 . A A . 28 GLN HE21 1 1
1 478 1 1 28 GLN HE22 H -10.442 -14.704 -8.043 1.00 . A A . 28 GLN HE22 1 1
1 479 1 1 28 GLN HG2 H -8.407 -11.753 -7.788 1.00 . A A . 28 GLN HG2 1 1
1 480 1 1 28 GLN HG3 H -9.763 -10.714 -7.347 1.00 . A A . 28 GLN HG3 1 1
1 481 1 1 28 GLN N N -9.872 -9.076 -10.834 1.00 . A A . 28 GLN N 1 1
1 482 1 1 28 GLN NE2 N -9.880 -13.911 -8.170 1.00 . A A . 28 GLN NE2 1 1
1 483 1 1 28 GLN O O -6.954 -10.049 -10.034 1.00 . A A . 28 GLN O 1 1
1 484 1 1 28 GLN OE1 O -11.420 -12.630 -7.300 1.00 . A A . 28 GLN OE1 1 1
1 485 1 1 29 THR C C -5.520 -7.142 -7.522 1.00 . A A . 29 THR C 1 1
1 486 1 1 29 THR CA C -5.855 -7.870 -8.837 1.00 . A A . 29 THR CA 1 1
1 487 1 1 29 THR CB C -5.576 -6.969 -10.053 1.00 . A A . 29 THR CB 1 1
1 488 1 1 29 THR CG2 C -4.105 -6.541 -10.056 1.00 . A A . 29 THR CG2 1 1
1 489 1 1 29 THR H H -7.970 -7.572 -8.491 1.00 . A A . 29 THR H 1 1
1 490 1 1 29 THR HA H -5.277 -8.776 -8.917 1.00 . A A . 29 THR HA 1 1
1 491 1 1 29 THR HB H -6.198 -6.090 -10.000 1.00 . A A . 29 THR HB 1 1
1 492 1 1 29 THR HG1 H -5.349 -8.490 -11.254 1.00 . A A . 29 THR HG1 1 1
1 493 1 1 29 THR HG21 H -3.980 -5.677 -9.421 1.00 . A A . 29 THR HG21 1 1
1 494 1 1 29 THR HG22 H -3.804 -6.293 -11.063 1.00 . A A . 29 THR HG22 1 1
1 495 1 1 29 THR HG23 H -3.493 -7.351 -9.687 1.00 . A A . 29 THR HG23 1 1
1 496 1 1 29 THR N N -7.317 -8.184 -8.902 1.00 . A A . 29 THR N 1 1
1 497 1 1 29 THR O O -5.461 -5.925 -7.481 1.00 . A A . 29 THR O 1 1
1 498 1 1 29 THR OG1 O -5.862 -7.678 -11.254 1.00 . A A . 29 THR OG1 1 1
1 499 1 1 30 PRO C C -3.464 -6.954 -5.144 1.00 . A A . 30 PRO C 1 1
1 500 1 1 30 PRO CA C -4.948 -7.349 -5.163 1.00 . A A . 30 PRO CA 1 1
1 501 1 1 30 PRO CB C -5.224 -8.497 -4.194 1.00 . A A . 30 PRO CB 1 1
1 502 1 1 30 PRO CD C -5.361 -9.388 -6.452 1.00 . A A . 30 PRO CD 1 1
1 503 1 1 30 PRO CG C -5.101 -9.748 -5.009 1.00 . A A . 30 PRO CG 1 1
1 504 1 1 30 PRO HA H -5.575 -6.503 -4.929 1.00 . A A . 30 PRO HA 1 1
1 505 1 1 30 PRO HB2 H -4.496 -8.494 -3.394 1.00 . A A . 30 PRO HB2 1 1
1 506 1 1 30 PRO HB3 H -6.221 -8.416 -3.793 1.00 . A A . 30 PRO HB3 1 1
1 507 1 1 30 PRO HD2 H -4.599 -9.815 -7.090 1.00 . A A . 30 PRO HD2 1 1
1 508 1 1 30 PRO HD3 H -6.341 -9.724 -6.755 1.00 . A A . 30 PRO HD3 1 1
1 509 1 1 30 PRO HG2 H -4.105 -10.156 -4.905 1.00 . A A . 30 PRO HG2 1 1
1 510 1 1 30 PRO HG3 H -5.830 -10.472 -4.681 1.00 . A A . 30 PRO HG3 1 1
1 511 1 1 30 PRO N N -5.299 -7.920 -6.486 1.00 . A A . 30 PRO N 1 1
1 512 1 1 30 PRO O O -2.591 -7.803 -5.115 1.00 . A A . 30 PRO O 1 1
1 513 1 1 31 SER C C -1.475 -4.266 -4.014 1.00 . A A . 31 SER C 1 1
1 514 1 1 31 SER CA C -1.742 -5.231 -5.173 1.00 . A A . 31 SER CA 1 1
1 515 1 1 31 SER CB C -1.545 -4.523 -6.515 1.00 . A A . 31 SER CB 1 1
1 516 1 1 31 SER H H -3.892 -5.007 -5.210 1.00 . A A . 31 SER H 1 1
1 517 1 1 31 SER HA H -1.083 -6.082 -5.109 1.00 . A A . 31 SER HA 1 1
1 518 1 1 31 SER HB2 H -2.363 -3.846 -6.692 1.00 . A A . 31 SER HB2 1 1
1 519 1 1 31 SER HB3 H -0.617 -3.965 -6.493 1.00 . A A . 31 SER HB3 1 1
1 520 1 1 31 SER HG H -2.402 -5.632 -7.866 1.00 . A A . 31 SER HG 1 1
1 521 1 1 31 SER N N -3.172 -5.675 -5.175 1.00 . A A . 31 SER N 1 1
1 522 1 1 31 SER O O -2.152 -3.268 -3.861 1.00 . A A . 31 SER O 1 1
1 523 1 1 31 SER OG O -1.505 -5.492 -7.555 1.00 . A A . 31 SER OG 1 1
1 524 1 1 32 CYS C C 1.103 -2.844 -2.352 1.00 . A A . 32 CYS C 1 1
1 525 1 1 32 CYS CA C -0.165 -3.655 -2.052 1.00 . A A . 32 CYS CA 1 1
1 526 1 1 32 CYS CB C 0.059 -4.587 -0.856 1.00 . A A . 32 CYS CB 1 1
1 527 1 1 32 CYS H H 0.047 -5.364 -3.352 1.00 . A A . 32 CYS H 1 1
1 528 1 1 32 CYS HA H -0.992 -2.994 -1.851 1.00 . A A . 32 CYS HA 1 1
1 529 1 1 32 CYS HB2 H -0.866 -5.084 -0.607 1.00 . A A . 32 CYS HB2 1 1
1 530 1 1 32 CYS HB3 H 0.806 -5.326 -1.111 1.00 . A A . 32 CYS HB3 1 1
1 531 1 1 32 CYS HG H 0.981 -2.793 0.249 1.00 . A A . 32 CYS HG 1 1
1 532 1 1 32 CYS N N -0.487 -4.555 -3.202 1.00 . A A . 32 CYS N 1 1
1 533 1 1 32 CYS O O 2.132 -3.391 -2.706 1.00 . A A . 32 CYS O 1 1
1 534 1 1 32 CYS SG S 0.624 -3.624 0.571 1.00 . A A . 32 CYS SG 1 1
1 535 1 1 33 VAL C C 2.657 0.003 -1.159 1.00 . A A . 33 VAL C 1 1
1 536 1 1 33 VAL CA C 2.224 -0.679 -2.464 1.00 . A A . 33 VAL CA 1 1
1 537 1 1 33 VAL CB C 1.755 0.358 -3.494 1.00 . A A . 33 VAL CB 1 1
1 538 1 1 33 VAL CG1 C 2.887 1.349 -3.777 1.00 . A A . 33 VAL CG1 1 1
1 539 1 1 33 VAL CG2 C 1.365 -0.350 -4.796 1.00 . A A . 33 VAL CG2 1 1
1 540 1 1 33 VAL H H 0.190 -1.134 -1.911 1.00 . A A . 33 VAL H 1 1
1 541 1 1 33 VAL HA H 3.034 -1.264 -2.870 1.00 . A A . 33 VAL HA 1 1
1 542 1 1 33 VAL HB H 0.901 0.891 -3.102 1.00 . A A . 33 VAL HB 1 1
1 543 1 1 33 VAL HG11 H 2.612 1.984 -4.607 1.00 . A A . 33 VAL HG11 1 1
1 544 1 1 33 VAL HG12 H 3.788 0.806 -4.023 1.00 . A A . 33 VAL HG12 1 1
1 545 1 1 33 VAL HG13 H 3.061 1.957 -2.902 1.00 . A A . 33 VAL HG13 1 1
1 546 1 1 33 VAL HG21 H 1.174 0.386 -5.563 1.00 . A A . 33 VAL HG21 1 1
1 547 1 1 33 VAL HG22 H 0.474 -0.940 -4.634 1.00 . A A . 33 VAL HG22 1 1
1 548 1 1 33 VAL HG23 H 2.172 -0.996 -5.111 1.00 . A A . 33 VAL HG23 1 1
1 549 1 1 33 VAL N N 1.032 -1.544 -2.203 1.00 . A A . 33 VAL N 1 1
1 550 1 1 33 VAL O O 1.949 0.833 -0.619 1.00 . A A . 33 VAL O 1 1
1 551 1 1 34 CYS C C 4.895 1.660 0.368 1.00 . A A . 34 CYS C 1 1
1 552 1 1 34 CYS CA C 4.296 0.272 0.628 1.00 . A A . 34 CYS CA 1 1
1 553 1 1 34 CYS CB C 5.371 -0.681 1.156 1.00 . A A . 34 CYS CB 1 1
1 554 1 1 34 CYS H H 4.363 -1.020 -1.103 1.00 . A A . 34 CYS H 1 1
1 555 1 1 34 CYS HA H 3.489 0.341 1.338 1.00 . A A . 34 CYS HA 1 1
1 556 1 1 34 CYS HB2 H 6.083 -0.890 0.372 1.00 . A A . 34 CYS HB2 1 1
1 557 1 1 34 CYS HB3 H 5.880 -0.222 1.990 1.00 . A A . 34 CYS HB3 1 1
1 558 1 1 34 CYS HG H 4.032 -2.541 0.990 1.00 . A A . 34 CYS HG 1 1
1 559 1 1 34 CYS N N 3.813 -0.346 -0.649 1.00 . A A . 34 CYS N 1 1
1 560 1 1 34 CYS O O 5.209 2.008 -0.756 1.00 . A A . 34 CYS O 1 1
1 561 1 1 34 CYS SG S 4.600 -2.228 1.698 1.00 . A A . 34 CYS SG 1 1
1 562 1 1 35 ASP C C 7.051 3.725 0.635 1.00 . A A . 35 ASP C 1 1
1 563 1 1 35 ASP CA C 5.637 3.823 1.225 1.00 . A A . 35 ASP CA 1 1
1 564 1 1 35 ASP CB C 5.677 4.436 2.630 1.00 . A A . 35 ASP CB 1 1
1 565 1 1 35 ASP CG C 4.409 5.264 2.862 1.00 . A A . 35 ASP CG 1 1
1 566 1 1 35 ASP H H 4.792 2.146 2.301 1.00 . A A . 35 ASP H 1 1
1 567 1 1 35 ASP HA H 5.004 4.416 0.583 1.00 . A A . 35 ASP HA 1 1
1 568 1 1 35 ASP HB2 H 5.734 3.648 3.367 1.00 . A A . 35 ASP HB2 1 1
1 569 1 1 35 ASP HB3 H 6.542 5.076 2.720 1.00 . A A . 35 ASP HB3 1 1
1 570 1 1 35 ASP N N 5.055 2.453 1.404 1.00 . A A . 35 ASP N 1 1
1 571 1 1 35 ASP O O 7.864 2.942 1.082 1.00 . A A . 35 ASP O 1 1
1 572 1 1 35 ASP OD1 O 3.377 4.670 3.134 1.00 . A A . 35 ASP OD1 1 1
1 573 1 1 35 ASP OD2 O 4.491 6.478 2.763 1.00 . A A . 35 ASP OD2 1 1
1 574 1 1 36 GLU C C 9.816 4.582 0.034 1.00 . A A . 36 GLU C 1 1
1 575 1 1 36 GLU CA C 8.698 4.461 -1.015 1.00 . A A . 36 GLU CA 1 1
1 576 1 1 36 GLU CB C 8.732 5.658 -1.971 1.00 . A A . 36 GLU CB 1 1
1 577 1 1 36 GLU CD C 9.674 6.520 -4.124 1.00 . A A . 36 GLU CD 1 1
1 578 1 1 36 GLU CG C 9.747 5.395 -3.088 1.00 . A A . 36 GLU CG 1 1
1 579 1 1 36 GLU H H 6.660 5.127 -0.721 1.00 . A A . 36 GLU H 1 1
1 580 1 1 36 GLU HA H 8.811 3.546 -1.575 1.00 . A A . 36 GLU HA 1 1
1 581 1 1 36 GLU HB2 H 7.752 5.803 -2.402 1.00 . A A . 36 GLU HB2 1 1
1 582 1 1 36 GLU HB3 H 9.021 6.545 -1.427 1.00 . A A . 36 GLU HB3 1 1
1 583 1 1 36 GLU HG2 H 10.742 5.356 -2.667 1.00 . A A . 36 GLU HG2 1 1
1 584 1 1 36 GLU HG3 H 9.521 4.454 -3.565 1.00 . A A . 36 GLU HG3 1 1
1 585 1 1 36 GLU N N 7.341 4.510 -0.375 1.00 . A A . 36 GLU N 1 1
1 586 1 1 36 GLU O O 10.804 3.873 -0.023 1.00 . A A . 36 GLU O 1 1
1 587 1 1 36 GLU OE1 O 10.364 7.511 -3.945 1.00 . A A . 36 GLU OE1 1 1
1 588 1 1 36 GLU OE2 O 8.929 6.372 -5.079 1.00 . A A . 36 GLU OE2 1 1
1 589 1 1 37 GLY C C 10.422 4.758 3.253 1.00 . A A . 37 GLY C 1 1
1 590 1 1 37 GLY CA C 10.717 5.648 2.036 1.00 . A A . 37 GLY CA 1 1
1 591 1 1 37 GLY H H 8.863 6.030 1.009 1.00 . A A . 37 GLY H 1 1
1 592 1 1 37 GLY HA2 H 11.680 5.381 1.625 1.00 . A A . 37 GLY HA2 1 1
1 593 1 1 37 GLY HA3 H 10.738 6.681 2.350 1.00 . A A . 37 GLY HA3 1 1
1 594 1 1 37 GLY N N 9.667 5.474 0.986 1.00 . A A . 37 GLY N 1 1
1 595 1 1 37 GLY O O 10.584 5.184 4.380 1.00 . A A . 37 GLY O 1 1
1 596 1 1 38 TYR C C 10.739 1.500 4.297 1.00 . A A . 38 TYR C 1 1
1 597 1 1 38 TYR CA C 9.698 2.632 4.206 1.00 . A A . 38 TYR CA 1 1
1 598 1 1 38 TYR CB C 8.280 2.087 3.937 1.00 . A A . 38 TYR CB 1 1
1 599 1 1 38 TYR CD1 C 8.949 0.544 2.040 1.00 . A A . 38 TYR CD1 1 1
1 600 1 1 38 TYR CD2 C 7.779 -0.383 3.949 1.00 . A A . 38 TYR CD2 1 1
1 601 1 1 38 TYR CE1 C 9.002 -0.726 1.454 1.00 . A A . 38 TYR CE1 1 1
1 602 1 1 38 TYR CE2 C 7.833 -1.653 3.364 1.00 . A A . 38 TYR CE2 1 1
1 603 1 1 38 TYR CG C 8.337 0.716 3.290 1.00 . A A . 38 TYR CG 1 1
1 604 1 1 38 TYR CZ C 8.444 -1.825 2.117 1.00 . A A . 38 TYR CZ 1 1
1 605 1 1 38 TYR H H 9.867 3.204 2.129 1.00 . A A . 38 TYR H 1 1
1 606 1 1 38 TYR HA H 9.696 3.202 5.122 1.00 . A A . 38 TYR HA 1 1
1 607 1 1 38 TYR HB2 H 7.746 2.014 4.872 1.00 . A A . 38 TYR HB2 1 1
1 608 1 1 38 TYR HB3 H 7.755 2.767 3.284 1.00 . A A . 38 TYR HB3 1 1
1 609 1 1 38 TYR HD1 H 9.380 1.394 1.528 1.00 . A A . 38 TYR HD1 1 1
1 610 1 1 38 TYR HD2 H 7.307 -0.251 4.910 1.00 . A A . 38 TYR HD2 1 1
1 611 1 1 38 TYR HE1 H 9.473 -0.859 0.492 1.00 . A A . 38 TYR HE1 1 1
1 612 1 1 38 TYR HE2 H 7.401 -2.501 3.876 1.00 . A A . 38 TYR HE2 1 1
1 613 1 1 38 TYR HH H 7.692 -3.207 1.035 1.00 . A A . 38 TYR HH 1 1
1 614 1 1 38 TYR N N 9.994 3.532 3.045 1.00 . A A . 38 TYR N 1 1
1 615 1 1 38 TYR O O 11.520 1.286 3.387 1.00 . A A . 38 TYR O 1 1
1 616 1 1 38 TYR OH O 8.497 -3.079 1.542 1.00 . A A . 38 TYR OH 1 1
1 617 1 1 39 ILE C C 11.048 -1.519 6.299 1.00 . A A . 39 ILE C 1 1
1 618 1 1 39 ILE CA C 11.723 -0.352 5.559 1.00 . A A . 39 ILE CA 1 1
1 619 1 1 39 ILE CB C 12.878 0.226 6.399 1.00 . A A . 39 ILE CB 1 1
1 620 1 1 39 ILE CD1 C 14.614 2.029 6.523 1.00 . A A . 39 ILE CD1 1 1
1 621 1 1 39 ILE CG1 C 13.586 1.342 5.620 1.00 . A A . 39 ILE CG1 1 1
1 622 1 1 39 ILE CG2 C 13.890 -0.881 6.718 1.00 . A A . 39 ILE CG2 1 1
1 623 1 1 39 ILE H H 10.105 0.967 6.108 1.00 . A A . 39 ILE H 1 1
1 624 1 1 39 ILE HA H 12.092 -0.678 4.599 1.00 . A A . 39 ILE HA 1 1
1 625 1 1 39 ILE HB H 12.482 0.625 7.321 1.00 . A A . 39 ILE HB 1 1
1 626 1 1 39 ILE HD11 H 15.609 1.711 6.245 1.00 . A A . 39 ILE HD11 1 1
1 627 1 1 39 ILE HD12 H 14.426 1.762 7.553 1.00 . A A . 39 ILE HD12 1 1
1 628 1 1 39 ILE HD13 H 14.535 3.100 6.410 1.00 . A A . 39 ILE HD13 1 1
1 629 1 1 39 ILE HG12 H 14.088 0.920 4.761 1.00 . A A . 39 ILE HG12 1 1
1 630 1 1 39 ILE HG13 H 12.860 2.070 5.290 1.00 . A A . 39 ILE HG13 1 1
1 631 1 1 39 ILE HG21 H 13.454 -1.576 7.420 1.00 . A A . 39 ILE HG21 1 1
1 632 1 1 39 ILE HG22 H 14.779 -0.445 7.148 1.00 . A A . 39 ILE HG22 1 1
1 633 1 1 39 ILE HG23 H 14.150 -1.404 5.809 1.00 . A A . 39 ILE HG23 1 1
1 634 1 1 39 ILE N N 10.747 0.774 5.392 1.00 . A A . 39 ILE N 1 1
1 635 1 1 39 ILE O O 10.075 -1.334 7.006 1.00 . A A . 39 ILE O 1 1
1 636 1 1 40 GLY C C 10.062 -4.684 5.878 1.00 . A A . 40 GLY C 1 1
1 637 1 1 40 GLY CA C 10.956 -3.896 6.844 1.00 . A A . 40 GLY CA 1 1
1 638 1 1 40 GLY H H 12.346 -2.843 5.574 1.00 . A A . 40 GLY H 1 1
1 639 1 1 40 GLY HA2 H 11.746 -4.539 7.206 1.00 . A A . 40 GLY HA2 1 1
1 640 1 1 40 GLY HA3 H 10.363 -3.554 7.678 1.00 . A A . 40 GLY HA3 1 1
1 641 1 1 40 GLY N N 11.560 -2.718 6.145 1.00 . A A . 40 GLY N 1 1
1 642 1 1 40 GLY O O 9.554 -4.150 4.908 1.00 . A A . 40 GLY O 1 1
1 643 1 1 41 ALA C C 7.521 -6.446 5.457 1.00 . A A . 41 ALA C 1 1
1 644 1 1 41 ALA CA C 9.002 -6.799 5.259 1.00 . A A . 41 ALA CA 1 1
1 645 1 1 41 ALA CB C 9.271 -8.242 5.691 1.00 . A A . 41 ALA CB 1 1
1 646 1 1 41 ALA H H 10.284 -6.354 6.939 1.00 . A A . 41 ALA H 1 1
1 647 1 1 41 ALA HA H 9.284 -6.666 4.226 1.00 . A A . 41 ALA HA 1 1
1 648 1 1 41 ALA HB1 H 10.330 -8.446 5.626 1.00 . A A . 41 ALA HB1 1 1
1 649 1 1 41 ALA HB2 H 8.735 -8.919 5.043 1.00 . A A . 41 ALA HB2 1 1
1 650 1 1 41 ALA HB3 H 8.940 -8.381 6.710 1.00 . A A . 41 ALA HB3 1 1
1 651 1 1 41 ALA N N 9.865 -5.955 6.147 1.00 . A A . 41 ALA N 1 1
1 652 1 1 41 ALA O O 6.771 -6.343 4.504 1.00 . A A . 41 ALA O 1 1
1 653 1 1 42 ARG C C 5.500 -4.364 7.025 1.00 . A A . 42 ARG C 1 1
1 654 1 1 42 ARG CA C 5.668 -5.893 6.948 1.00 . A A . 42 ARG CA 1 1
1 655 1 1 42 ARG CB C 5.337 -6.544 8.296 1.00 . A A . 42 ARG CB 1 1
1 656 1 1 42 ARG CD C 5.309 -8.765 9.453 1.00 . A A . 42 ARG CD 1 1
1 657 1 1 42 ARG CG C 5.159 -8.053 8.105 1.00 . A A . 42 ARG CG 1 1
1 658 1 1 42 ARG CZ C 4.148 -10.890 9.602 1.00 . A A . 42 ARG CZ 1 1
1 659 1 1 42 ARG H H 7.726 -6.331 7.436 1.00 . A A . 42 ARG H 1 1
1 660 1 1 42 ARG HA H 5.033 -6.301 6.178 1.00 . A A . 42 ARG HA 1 1
1 661 1 1 42 ARG HB2 H 6.144 -6.361 8.992 1.00 . A A . 42 ARG HB2 1 1
1 662 1 1 42 ARG HB3 H 4.423 -6.123 8.685 1.00 . A A . 42 ARG HB3 1 1
1 663 1 1 42 ARG HD2 H 6.282 -8.561 9.877 1.00 . A A . 42 ARG HD2 1 1
1 664 1 1 42 ARG HD3 H 4.529 -8.455 10.131 1.00 . A A . 42 ARG HD3 1 1
1 665 1 1 42 ARG HE H 5.844 -10.665 8.589 1.00 . A A . 42 ARG HE 1 1
1 666 1 1 42 ARG HG2 H 4.177 -8.251 7.700 1.00 . A A . 42 ARG HG2 1 1
1 667 1 1 42 ARG HG3 H 5.911 -8.420 7.422 1.00 . A A . 42 ARG HG3 1 1
1 668 1 1 42 ARG HH11 H 2.954 -10.435 8.055 1.00 . A A . 42 ARG HH11 1 1
1 669 1 1 42 ARG HH12 H 2.247 -11.439 9.276 1.00 . A A . 42 ARG HH12 1 1
1 670 1 1 42 ARG HH21 H 5.104 -11.506 11.255 1.00 . A A . 42 ARG HH21 1 1
1 671 1 1 42 ARG HH22 H 3.467 -12.048 11.092 1.00 . A A . 42 ARG HH22 1 1
1 672 1 1 42 ARG N N 7.099 -6.250 6.686 1.00 . A A . 42 ARG N 1 1
1 673 1 1 42 ARG NE N 5.169 -10.216 9.141 1.00 . A A . 42 ARG NE 1 1
1 674 1 1 42 ARG NH1 N 3.029 -10.924 8.925 1.00 . A A . 42 ARG NH1 1 1
1 675 1 1 42 ARG NH2 N 4.248 -11.532 10.738 1.00 . A A . 42 ARG NH2 1 1
1 676 1 1 42 ARG O O 4.579 -3.867 7.652 1.00 . A A . 42 ARG O 1 1
1 677 1 1 43 CYS C C 6.312 -1.597 7.839 1.00 . A A . 43 CYS C 1 1
1 678 1 1 43 CYS CA C 6.295 -2.123 6.395 1.00 . A A . 43 CYS CA 1 1
1 679 1 1 43 CYS CB C 4.971 -1.781 5.690 1.00 . A A . 43 CYS CB 1 1
1 680 1 1 43 CYS H H 7.104 -4.048 5.883 1.00 . A A . 43 CYS H 1 1
1 681 1 1 43 CYS HA H 7.119 -1.705 5.843 1.00 . A A . 43 CYS HA 1 1
1 682 1 1 43 CYS HB2 H 4.146 -1.975 6.359 1.00 . A A . 43 CYS HB2 1 1
1 683 1 1 43 CYS HB3 H 4.970 -0.738 5.415 1.00 . A A . 43 CYS HB3 1 1
1 684 1 1 43 CYS HG H 4.372 -3.621 4.453 1.00 . A A . 43 CYS HG 1 1
1 685 1 1 43 CYS N N 6.381 -3.620 6.382 1.00 . A A . 43 CYS N 1 1
1 686 1 1 43 CYS O O 5.428 -0.875 8.258 1.00 . A A . 43 CYS O 1 1
1 687 1 1 43 CYS SG S 4.783 -2.792 4.199 1.00 . A A . 43 CYS SG 1 1
1 688 1 1 44 GLU C C 8.450 -0.386 10.182 1.00 . A A . 44 GLU C 1 1
1 689 1 1 44 GLU CA C 7.394 -1.491 10.023 1.00 . A A . 44 GLU CA 1 1
1 690 1 1 44 GLU CB C 7.788 -2.732 10.829 1.00 . A A . 44 GLU CB 1 1
1 691 1 1 44 GLU CD C 7.240 -4.070 12.868 1.00 . A A . 44 GLU CD 1 1
1 692 1 1 44 GLU CG C 7.065 -2.716 12.178 1.00 . A A . 44 GLU CG 1 1
1 693 1 1 44 GLU H H 8.018 -2.543 8.242 1.00 . A A . 44 GLU H 1 1
1 694 1 1 44 GLU HA H 6.431 -1.134 10.351 1.00 . A A . 44 GLU HA 1 1
1 695 1 1 44 GLU HB2 H 7.509 -3.621 10.281 1.00 . A A . 44 GLU HB2 1 1
1 696 1 1 44 GLU HB3 H 8.855 -2.731 10.995 1.00 . A A . 44 GLU HB3 1 1
1 697 1 1 44 GLU HG2 H 7.482 -1.937 12.800 1.00 . A A . 44 GLU HG2 1 1
1 698 1 1 44 GLU HG3 H 6.013 -2.527 12.020 1.00 . A A . 44 GLU HG3 1 1
1 699 1 1 44 GLU N N 7.316 -1.959 8.602 1.00 . A A . 44 GLU N 1 1
1 700 1 1 44 GLU O O 8.185 0.647 10.769 1.00 . A A . 44 GLU O 1 1
1 701 1 1 44 GLU OE1 O 8.258 -4.257 13.515 1.00 . A A . 44 GLU OE1 1 1
1 702 1 1 44 GLU OE2 O 6.352 -4.898 12.741 1.00 . A A . 44 GLU OE2 1 1
1 703 1 1 45 ARG C C 10.502 1.551 8.748 1.00 . A A . 45 ARG C 1 1
1 704 1 1 45 ARG CA C 10.710 0.448 9.793 1.00 . A A . 45 ARG CA 1 1
1 705 1 1 45 ARG CB C 12.030 -0.290 9.539 1.00 . A A . 45 ARG CB 1 1
1 706 1 1 45 ARG CD C 13.732 -1.839 10.519 1.00 . A A . 45 ARG CD 1 1
1 707 1 1 45 ARG CG C 12.451 -1.047 10.802 1.00 . A A . 45 ARG CG 1 1
1 708 1 1 45 ARG CZ C 15.306 -1.619 12.353 1.00 . A A . 45 ARG CZ 1 1
1 709 1 1 45 ARG H H 9.829 -1.434 9.195 1.00 . A A . 45 ARG H 1 1
1 710 1 1 45 ARG HA H 10.709 0.867 10.787 1.00 . A A . 45 ARG HA 1 1
1 711 1 1 45 ARG HB2 H 11.901 -0.990 8.727 1.00 . A A . 45 ARG HB2 1 1
1 712 1 1 45 ARG HB3 H 12.797 0.424 9.280 1.00 . A A . 45 ARG HB3 1 1
1 713 1 1 45 ARG HD2 H 13.505 -2.720 9.934 1.00 . A A . 45 ARG HD2 1 1
1 714 1 1 45 ARG HD3 H 14.451 -1.221 10.005 1.00 . A A . 45 ARG HD3 1 1
1 715 1 1 45 ARG HE H 13.814 -2.932 12.375 1.00 . A A . 45 ARG HE 1 1
1 716 1 1 45 ARG HG2 H 12.631 -0.342 11.601 1.00 . A A . 45 ARG HG2 1 1
1 717 1 1 45 ARG HG3 H 11.666 -1.728 11.093 1.00 . A A . 45 ARG HG3 1 1
1 718 1 1 45 ARG HH11 H 16.619 -2.881 11.512 1.00 . A A . 45 ARG HH11 1 1
1 719 1 1 45 ARG HH12 H 17.310 -1.610 12.464 1.00 . A A . 45 ARG HH12 1 1
1 720 1 1 45 ARG HH21 H 14.239 -0.216 13.310 1.00 . A A . 45 ARG HH21 1 1
1 721 1 1 45 ARG HH22 H 15.958 -0.096 13.485 1.00 . A A . 45 ARG HH22 1 1
1 722 1 1 45 ARG N N 9.640 -0.594 9.667 1.00 . A A . 45 ARG N 1 1
1 723 1 1 45 ARG NE N 14.256 -2.224 11.861 1.00 . A A . 45 ARG NE 1 1
1 724 1 1 45 ARG NH1 N 16.505 -2.072 12.089 1.00 . A A . 45 ARG NH1 1 1
1 725 1 1 45 ARG NH2 N 15.156 -0.561 13.109 1.00 . A A . 45 ARG NH2 1 1
1 726 1 1 45 ARG O O 9.671 1.432 7.868 1.00 . A A . 45 ARG O 1 1
1 727 1 1 46 VAL C C 12.443 4.393 7.540 1.00 . A A . 46 VAL C 1 1
1 728 1 1 46 VAL CA C 11.089 3.739 7.852 1.00 . A A . 46 VAL CA 1 1
1 729 1 1 46 VAL CB C 10.133 4.738 8.521 1.00 . A A . 46 VAL CB 1 1
1 730 1 1 46 VAL CG1 C 10.844 5.484 9.658 1.00 . A A . 46 VAL CG1 1 1
1 731 1 1 46 VAL CG2 C 9.637 5.748 7.480 1.00 . A A . 46 VAL CG2 1 1
1 732 1 1 46 VAL H H 11.911 2.703 9.559 1.00 . A A . 46 VAL H 1 1
1 733 1 1 46 VAL HA H 10.644 3.366 6.943 1.00 . A A . 46 VAL HA 1 1
1 734 1 1 46 VAL HB H 9.290 4.201 8.925 1.00 . A A . 46 VAL HB 1 1
1 735 1 1 46 VAL HG11 H 10.114 6.011 10.254 1.00 . A A . 46 VAL HG11 1 1
1 736 1 1 46 VAL HG12 H 11.547 6.191 9.242 1.00 . A A . 46 VAL HG12 1 1
1 737 1 1 46 VAL HG13 H 11.372 4.776 10.279 1.00 . A A . 46 VAL HG13 1 1
1 738 1 1 46 VAL HG21 H 8.818 6.318 7.893 1.00 . A A . 46 VAL HG21 1 1
1 739 1 1 46 VAL HG22 H 9.299 5.220 6.601 1.00 . A A . 46 VAL HG22 1 1
1 740 1 1 46 VAL HG23 H 10.442 6.415 7.212 1.00 . A A . 46 VAL HG23 1 1
1 741 1 1 46 VAL N N 11.249 2.627 8.840 1.00 . A A . 46 VAL N 1 1
1 742 1 1 46 VAL O O 13.359 4.369 8.343 1.00 . A A . 46 VAL O 1 1
1 743 1 1 47 ASP C C 13.626 7.170 5.867 1.00 . A A . 47 ASP C 1 1
1 744 1 1 47 ASP CA C 13.840 5.652 5.986 1.00 . A A . 47 ASP CA 1 1
1 745 1 1 47 ASP CB C 14.202 5.043 4.625 1.00 . A A . 47 ASP CB 1 1
1 746 1 1 47 ASP CG C 15.722 5.066 4.437 1.00 . A A . 47 ASP CG 1 1
1 747 1 1 47 ASP H H 11.802 4.986 5.757 1.00 . A A . 47 ASP H 1 1
1 748 1 1 47 ASP HA H 14.615 5.436 6.704 1.00 . A A . 47 ASP HA 1 1
1 749 1 1 47 ASP HB2 H 13.849 4.023 4.582 1.00 . A A . 47 ASP HB2 1 1
1 750 1 1 47 ASP HB3 H 13.736 5.618 3.838 1.00 . A A . 47 ASP HB3 1 1
1 751 1 1 47 ASP N N 12.562 4.982 6.377 1.00 . A A . 47 ASP N 1 1
1 752 1 1 47 ASP O O 14.158 7.813 4.979 1.00 . A A . 47 ASP O 1 1
1 753 1 1 47 ASP OD1 O 16.377 4.176 4.956 1.00 . A A . 47 ASP OD1 1 1
1 754 1 1 47 ASP OD2 O 16.204 5.971 3.776 1.00 . A A . 47 ASP OD2 1 1
1 755 1 1 48 LEU C C 12.138 9.737 8.067 1.00 . A A . 48 LEU C 1 1
1 756 1 1 48 LEU CA C 12.593 9.217 6.697 1.00 . A A . 48 LEU CA 1 1
1 757 1 1 48 LEU CB C 11.478 9.385 5.658 1.00 . A A . 48 LEU CB 1 1
1 758 1 1 48 LEU CD1 C 11.341 10.326 3.345 1.00 . A A . 48 LEU CD1 1 1
1 759 1 1 48 LEU CD2 C 10.994 11.814 5.324 1.00 . A A . 48 LEU CD2 1 1
1 760 1 1 48 LEU CG C 11.770 10.608 4.787 1.00 . A A . 48 LEU CG 1 1
1 761 1 1 48 LEU H H 12.431 7.209 7.460 1.00 . A A . 48 LEU H 1 1
1 762 1 1 48 LEU HA H 13.480 9.740 6.372 1.00 . A A . 48 LEU HA 1 1
1 763 1 1 48 LEU HB2 H 11.430 8.502 5.037 1.00 . A A . 48 LEU HB2 1 1
1 764 1 1 48 LEU HB3 H 10.533 9.522 6.163 1.00 . A A . 48 LEU HB3 1 1
1 765 1 1 48 LEU HD11 H 10.303 10.025 3.329 1.00 . A A . 48 LEU HD11 1 1
1 766 1 1 48 LEU HD12 H 11.951 9.534 2.936 1.00 . A A . 48 LEU HD12 1 1
1 767 1 1 48 LEU HD13 H 11.465 11.219 2.750 1.00 . A A . 48 LEU HD13 1 1
1 768 1 1 48 LEU HD21 H 11.255 12.693 4.754 1.00 . A A . 48 LEU HD21 1 1
1 769 1 1 48 LEU HD22 H 11.246 11.970 6.362 1.00 . A A . 48 LEU HD22 1 1
1 770 1 1 48 LEU HD23 H 9.933 11.628 5.235 1.00 . A A . 48 LEU HD23 1 1
1 771 1 1 48 LEU HG H 12.829 10.820 4.811 1.00 . A A . 48 LEU HG 1 1
1 772 1 1 48 LEU N N 12.848 7.746 6.755 1.00 . A A . 48 LEU N 1 1
1 773 1 1 48 LEU O O 11.038 9.462 8.510 1.00 . A A . 48 LEU O 1 1
1 774 1 1 49 PHE C C 11.932 12.407 9.921 1.00 . A A . 49 PHE C 1 1
1 775 1 1 49 PHE CA C 12.599 11.035 10.078 1.00 . A A . 49 PHE CA 1 1
1 776 1 1 49 PHE CB C 13.914 11.152 10.857 1.00 . A A . 49 PHE CB 1 1
1 777 1 1 49 PHE CD1 C 14.704 8.759 10.989 1.00 . A A . 49 PHE CD1 1 1
1 778 1 1 49 PHE CD2 C 13.824 9.810 12.991 1.00 . A A . 49 PHE CD2 1 1
1 779 1 1 49 PHE CE1 C 14.924 7.577 11.706 1.00 . A A . 49 PHE CE1 1 1
1 780 1 1 49 PHE CE2 C 14.044 8.628 13.707 1.00 . A A . 49 PHE CE2 1 1
1 781 1 1 49 PHE CG C 14.154 9.876 11.631 1.00 . A A . 49 PHE CG 1 1
1 782 1 1 49 PHE CZ C 14.593 7.512 13.065 1.00 . A A . 49 PHE CZ 1 1
1 783 1 1 49 PHE H H 13.857 10.697 8.356 1.00 . A A . 49 PHE H 1 1
1 784 1 1 49 PHE HA H 11.933 10.353 10.584 1.00 . A A . 49 PHE HA 1 1
1 785 1 1 49 PHE HB2 H 14.729 11.314 10.167 1.00 . A A . 49 PHE HB2 1 1
1 786 1 1 49 PHE HB3 H 13.853 11.983 11.544 1.00 . A A . 49 PHE HB3 1 1
1 787 1 1 49 PHE HD1 H 14.959 8.810 9.941 1.00 . A A . 49 PHE HD1 1 1
1 788 1 1 49 PHE HD2 H 13.400 10.670 13.486 1.00 . A A . 49 PHE HD2 1 1
1 789 1 1 49 PHE HE1 H 15.347 6.716 11.211 1.00 . A A . 49 PHE HE1 1 1
1 790 1 1 49 PHE HE2 H 13.789 8.577 14.755 1.00 . A A . 49 PHE HE2 1 1
1 791 1 1 49 PHE HZ H 14.763 6.600 13.619 1.00 . A A . 49 PHE HZ 1 1
1 792 1 1 49 PHE N N 12.978 10.488 8.737 1.00 . A A . 49 PHE N 1 1
1 793 1 1 49 PHE O O 10.816 12.613 10.359 1.00 . A A . 49 PHE O 1 1
1 794 1 1 50 TYR C C 11.237 14.767 7.783 1.00 . A A . 50 TYR C 1 1
1 795 1 1 50 TYR CA C 12.013 14.705 9.106 1.00 . A A . 50 TYR CA 1 1
1 796 1 1 50 TYR CB C 13.206 15.669 9.083 1.00 . A A . 50 TYR CB 1 1
1 797 1 1 50 TYR CD1 C 14.618 15.099 11.094 1.00 . A A . 50 TYR CD1 1 1
1 798 1 1 50 TYR CD2 C 13.143 17.020 11.214 1.00 . A A . 50 TYR CD2 1 1
1 799 1 1 50 TYR CE1 C 15.045 15.344 12.404 1.00 . A A . 50 TYR CE1 1 1
1 800 1 1 50 TYR CE2 C 13.570 17.265 12.524 1.00 . A A . 50 TYR CE2 1 1
1 801 1 1 50 TYR CG C 13.667 15.936 10.498 1.00 . A A . 50 TYR CG 1 1
1 802 1 1 50 TYR CZ C 14.521 16.427 13.119 1.00 . A A . 50 TYR CZ 1 1
1 803 1 1 50 TYR H H 13.504 13.151 8.949 1.00 . A A . 50 TYR H 1 1
1 804 1 1 50 TYR HA H 11.363 14.947 9.932 1.00 . A A . 50 TYR HA 1 1
1 805 1 1 50 TYR HB2 H 14.014 15.228 8.517 1.00 . A A . 50 TYR HB2 1 1
1 806 1 1 50 TYR HB3 H 12.908 16.598 8.621 1.00 . A A . 50 TYR HB3 1 1
1 807 1 1 50 TYR HD1 H 15.023 14.263 10.542 1.00 . A A . 50 TYR HD1 1 1
1 808 1 1 50 TYR HD2 H 12.410 17.667 10.755 1.00 . A A . 50 TYR HD2 1 1
1 809 1 1 50 TYR HE1 H 15.778 14.697 12.862 1.00 . A A . 50 TYR HE1 1 1
1 810 1 1 50 TYR HE2 H 13.166 18.101 13.076 1.00 . A A . 50 TYR HE2 1 1
1 811 1 1 50 TYR HH H 14.387 16.160 15.007 1.00 . A A . 50 TYR HH 1 1
1 812 1 1 50 TYR N N 12.607 13.344 9.296 1.00 . A A . 50 TYR N 1 1
1 813 1 1 50 TYR O O 11.847 14.567 6.744 1.00 . A A . 50 TYR O 1 1
1 814 1 1 50 TYR OXT O 10.043 15.011 7.834 1.00 . A A . 50 TYR OXT 1 1
1 815 1 1 50 TYR OH O 14.943 16.669 14.412 1.00 . A A . 50 TYR OH 1 1
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