Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
393965 | 1r02 RC | 5994 | cing | 4-filtered-FRED | STAR | entry | full | 201 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1r02
# This FRED archive file contains, for PDB entry <1r02>:
#
# - 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_1r02
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1r02
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all disulfide bound"
_Assembly.Molecular_mass 3580.13
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 $Orexin_A A . 1 1
stop_
save_
save_Orexin_A
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "Orexin A"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code QPLPDCCRQKTCSCRLYELLHGAGNHAAGILTL
_Entity.Number_of_monomers 33
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 GLN . 1 1
2 PRO . 1 1
3 LEU . 1 1
4 PRO . 1 1
5 ASP . 1 1
6 CYS . 1 1
7 CYS . 1 1
8 ARG . 1 1
9 GLN . 1 1
10 LYS . 1 1
11 THR . 1 1
12 CYS . 1 1
13 SER . 1 1
14 CYS . 1 1
15 ARG . 1 1
16 LEU . 1 1
17 TYR . 1 1
18 GLU . 1 1
19 LEU . 1 1
20 LEU . 1 1
21 HIS . 1 1
22 GLY . 1 1
23 ALA . 1 1
24 GLY . 1 1
25 ASN . 1 1
26 HIS . 1 1
27 ALA . 1 1
28 ALA . 1 1
29 GLY . 1 1
30 ILE . 1 1
31 LEU . 1 1
32 THR . 1 1
33 LEU . 1 1
stop_
loop_
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
GLN 1 1 1 1
PRO 2 2 1 1
LEU 3 3 1 1
PRO 4 4 1 1
ASP 5 5 1 1
CYS 6 6 1 1
CYS 7 7 1 1
ARG 8 8 1 1
GLN 9 9 1 1
LYS 10 10 1 1
THR 11 11 1 1
CYS 12 12 1 1
SER 13 13 1 1
CYS 14 14 1 1
ARG 15 15 1 1
LEU 16 16 1 1
TYR 17 17 1 1
GLU 18 18 1 1
LEU 19 19 1 1
LEU 20 20 1 1
HIS 21 21 1 1
GLY 22 22 1 1
ALA 23 23 1 1
GLY 24 24 1 1
ASN 25 25 1 1
HIS 26 26 1 1
ALA 27 27 1 1
ALA 28 28 1 1
GLY 29 29 1 1
ILE 30 30 1 1
LEU 31 31 1 1
THR 32 32 1 1
LEU 33 33 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 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
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 2 PRO QB . 2 . HB* 1 1
1 1 2 1 1 2 PRO QD . 2 . HD* 1 1
2 1 1 1 1 3 LEU H . 3 . HN 1 1
2 1 2 1 1 3 LEU HA . 3 . HA 1 1
3 1 1 1 1 3 LEU H . 3 . HN 1 1
3 1 2 1 1 3 LEU HG . 3 . HG 1 1
4 1 1 1 1 3 LEU H . 3 . HN 1 1
4 1 2 1 1 3 LEU QD . 3 . HD* 1 1
5 1 1 1 1 4 PRO QB . 4 . HB* 1 1
5 1 2 1 1 4 PRO QD . 4 . HD* 1 1
6 1 1 1 1 5 ASP H . 5 . HN 1 1
6 1 2 1 1 5 ASP HA . 5 . HA 1 1
7 1 1 1 1 6 CYS H . 6 . HN 1 1
7 1 2 1 1 6 CYS HA . 6 . HA 1 1
8 1 1 1 1 6 CYS H . 6 . HN 1 1
8 1 2 1 1 6 CYS QB . 6 . HB* 1 1
9 1 1 1 1 7 CYS H . 7 . HN 1 1
9 1 2 1 1 7 CYS HA . 7 . HA 1 1
10 1 1 1 1 7 CYS H . 7 . HN 1 1
10 1 2 1 1 7 CYS QB . 7 . HB* 1 1
11 1 1 1 1 8 ARG H . 8 . HN 1 1
11 1 2 1 1 8 ARG HA . 8 . HA 1 1
12 1 1 1 1 8 ARG H . 8 . HN 1 1
12 1 2 1 1 8 ARG QG . 8 . HG* 1 1
13 1 1 1 1 8 ARG H . 8 . HN 1 1
13 1 2 1 1 8 ARG QD . 8 . HD* 1 1
14 1 1 1 1 9 GLN H . 9 . HN 1 1
14 1 2 1 1 9 GLN HA . 9 . HA 1 1
15 1 1 1 1 9 GLN H . 9 . HN 1 1
15 1 2 1 1 9 GLN QB . 9 . HB* 1 1
16 1 1 1 1 9 GLN H . 9 . HN 1 1
16 1 2 1 1 9 GLN QG . 9 . HG* 1 1
17 1 1 1 1 10 LYS H . 10 . HN 1 1
17 1 2 1 1 10 LYS HA . 10 . HA 1 1
18 1 1 1 1 10 LYS H . 10 . HN 1 1
18 1 2 1 1 10 LYS QB . 10 . HB* 1 1
19 1 1 1 1 10 LYS H . 10 . HN 1 1
19 1 2 1 1 10 LYS QG . 10 . HG* 1 1
20 1 1 1 1 10 LYS H . 10 . HN 1 1
20 1 2 1 1 10 LYS QD . 10 . HD* 1 1
21 1 1 1 1 11 THR H . 11 . HN 1 1
21 1 2 1 1 11 THR HA . 11 . HA 1 1
22 1 1 1 1 11 THR H . 11 . HN 1 1
22 1 2 1 1 11 THR HB . 11 . HB 1 1
23 1 1 1 1 11 THR H . 11 . HN 1 1
23 1 2 1 1 11 THR HG1 . 11 . HG* 1 1
23 1 2 1 1 11 THR MG . 11 . HG* 1 1
24 1 1 1 1 12 CYS H . 12 . HN 1 1
24 1 2 1 1 12 CYS HA . 12 . HA 1 1
25 1 1 1 1 13 SER H . 13 . HN 1 1
25 1 2 1 1 13 SER HA . 13 . HA 1 1
26 1 1 1 1 13 SER H . 13 . HN 1 1
26 1 2 1 1 13 SER QB . 13 . HB* 1 1
27 1 1 1 1 14 CYS H . 14 . HN 1 1
27 1 2 1 1 14 CYS HA . 14 . HA 1 1
28 1 1 1 1 14 CYS H . 14 . HN 1 1
28 1 2 1 1 14 CYS QB . 14 . HB* 1 1
29 1 1 1 1 15 ARG H . 15 . HN 1 1
29 1 2 1 1 15 ARG QG . 15 . HG* 1 1
30 1 1 1 1 15 ARG H . 15 . HN 1 1
30 1 2 1 1 15 ARG QD . 15 . HD* 1 1
31 1 1 1 1 16 LEU H . 16 . HN 1 1
31 1 2 1 1 16 LEU HA . 16 . HA 1 1
32 1 1 1 1 16 LEU H . 16 . HN 1 1
32 1 2 1 1 16 LEU HG . 16 . HG* 1 1
33 1 1 1 1 16 LEU H . 16 . HN 1 1
33 1 2 1 1 16 LEU QD . 16 . HD* 1 1
34 1 1 1 1 17 TYR H . 17 . HN 1 1
34 1 2 1 1 17 TYR HA . 17 . HA 1 1
35 1 1 1 1 17 TYR H . 17 . HN 1 1
35 1 2 1 1 17 TYR QB . 17 . HB* 1 1
36 1 1 1 1 18 GLU H . 18 . HN 1 1
36 1 2 1 1 18 GLU HA . 18 . HA 1 1
37 1 1 1 1 18 GLU H . 18 . HN 1 1
37 1 2 1 1 18 GLU QB . 18 . HB* 1 1
38 1 1 1 1 18 GLU H . 18 . HN 1 1
38 1 2 1 1 18 GLU QG . 18 . HG* 1 1
39 1 1 1 1 19 LEU H . 19 . HN 1 1
39 1 2 1 1 19 LEU HG . 19 . HG 1 1
40 1 1 1 1 19 LEU H . 19 . HN 1 1
40 1 2 1 1 19 LEU QD . 19 . HD* 1 1
41 1 1 1 1 20 LEU H . 20 . HN 1 1
41 1 2 1 1 20 LEU HG . 20 . HG 1 1
42 1 1 1 1 20 LEU H . 20 . HN 1 1
42 1 2 1 1 20 LEU QD . 20 . HD* 1 1
43 1 1 1 1 23 ALA H . 23 . HN 1 1
43 1 2 1 1 23 ALA HA . 23 . HA 1 1
44 1 1 1 1 25 ASN H . 25 . HN 1 1
44 1 2 1 1 25 ASN HA . 25 . HA 1 1
45 1 1 1 1 25 ASN H . 25 . HN 1 1
45 1 2 1 1 25 ASN QB . 25 . HB* 1 1
46 1 1 1 1 26 HIS H . 26 . HN 1 1
46 1 2 1 1 26 HIS HA . 26 . HA 1 1
47 1 1 1 1 27 ALA H . 27 . HN 1 1
47 1 2 1 1 27 ALA HA . 27 . HA 1 1
48 1 1 1 1 28 ALA H . 28 . HN 1 1
48 1 2 1 1 28 ALA HA . 28 . HA 1 1
49 1 1 1 1 30 ILE H . 30 . HN 1 1
49 1 2 1 1 30 ILE HA . 30 . HA 1 1
50 1 1 1 1 30 ILE H . 30 . HN 1 1
50 1 2 1 1 30 ILE HB . 30 . HB 1 1
51 1 1 1 1 30 ILE H . 30 . HN 1 1
51 1 2 1 1 30 ILE MG . 30 . HG2* 1 1
52 1 1 1 1 30 ILE H . 30 . HN 1 1
52 1 2 1 1 30 ILE QG . 30 . HG1* 1 1
53 1 1 1 1 30 ILE H . 30 . HN 1 1
53 1 2 1 1 30 ILE MD . 30 . HD* 1 1
54 1 1 1 1 31 LEU H . 31 . HN 1 1
54 1 2 1 1 31 LEU HA . 31 . HA 1 1
55 1 1 1 1 31 LEU H . 31 . HN 1 1
55 1 2 1 1 31 LEU QB . 31 . HB* 1 1
56 1 1 1 1 31 LEU H . 31 . HN 1 1
56 1 2 1 1 31 LEU HG . 31 . HG* 1 1
57 1 1 1 1 31 LEU H . 31 . HN 1 1
57 1 2 1 1 31 LEU QD . 31 . HD* 1 1
58 1 1 1 1 32 THR H . 32 . HN 1 1
58 1 2 1 1 32 THR HA . 32 . HA 1 1
59 1 1 1 1 32 THR H . 32 . HN 1 1
59 1 2 1 1 32 THR HB . 32 . HB 1 1
60 1 1 1 1 32 THR H . 32 . HN 1 1
60 1 2 1 1 32 THR HG1 . 32 . HG* 1 1
60 1 2 1 1 32 THR MG . 32 . HG* 1 1
61 1 1 1 1 33 LEU H . 33 . HN 1 1
61 1 2 1 1 33 LEU HA . 33 . HA 1 1
62 1 1 1 1 33 LEU H . 33 . HN 1 1
62 1 2 1 1 33 LEU QB . 33 . HB* 1 1
63 1 1 1 1 33 LEU H . 33 . HN 1 1
63 1 2 1 1 33 LEU HG . 33 . HG* 1 1
64 1 1 1 1 5 ASP H . 5 . HN 1 1
64 1 2 1 1 6 CYS H . 6 . HN 1 1
65 1 1 1 1 6 CYS H . 6 . HN 1 1
65 1 2 1 1 7 CYS H . 7 . HN 1 1
66 1 1 1 1 8 ARG H . 8 . HN 1 1
66 1 2 1 1 9 GLN H . 9 . HN 1 1
67 1 1 1 1 9 GLN H . 9 . HN 1 1
67 1 2 1 1 10 LYS H . 10 . HN 1 1
68 1 1 1 1 10 LYS H . 10 . HN 1 1
68 1 2 1 1 11 THR H . 11 . HN 1 1
69 1 1 1 1 11 THR H . 11 . HN 1 1
69 1 2 1 1 12 CYS H . 12 . HN 1 1
70 1 1 1 1 12 CYS H . 12 . HN 1 1
70 1 2 1 1 13 SER H . 13 . HN 1 1
71 1 1 1 1 13 SER H . 13 . HN 1 1
71 1 2 1 1 14 CYS H . 14 . HN 1 1
72 1 1 1 1 14 CYS H . 14 . HN 1 1
72 1 2 1 1 15 ARG H . 15 . HN 1 1
73 1 1 1 1 15 ARG H . 15 . HN 1 1
73 1 2 1 1 16 LEU H . 16 . HN 1 1
74 1 1 1 1 16 LEU H . 16 . HN 1 1
74 1 2 1 1 17 TYR H . 17 . HN 1 1
75 1 1 1 1 17 TYR H . 17 . HN 1 1
75 1 2 1 1 18 GLU H . 18 . HN 1 1
76 1 1 1 1 18 GLU H . 18 . HN 1 1
76 1 2 1 1 19 LEU H . 19 . HN 1 1
77 1 1 1 1 19 LEU H . 19 . HN 1 1
77 1 2 1 1 20 LEU H . 20 . HN 1 1
78 1 1 1 1 20 LEU H . 20 . HN 1 1
78 1 2 1 1 21 HIS H . 21 . HN 1 1
79 1 1 1 1 21 HIS H . 21 . HN 1 1
79 1 2 1 1 22 GLY H . 22 . HN 1 1
80 1 1 1 1 23 ALA H . 23 . HN 1 1
80 1 2 1 1 24 GLY H . 24 . HN 1 1
81 1 1 1 1 24 GLY H . 24 . HN 1 1
81 1 2 1 1 25 ASN H . 25 . HN 1 1
82 1 1 1 1 25 ASN H . 25 . HN 1 1
82 1 2 1 1 26 HIS H . 26 . HN 1 1
83 1 1 1 1 26 HIS H . 26 . HN 1 1
83 1 2 1 1 27 ALA H . 27 . HN 1 1
84 1 1 1 1 27 ALA H . 27 . HN 1 1
84 1 2 1 1 28 ALA H . 28 . HN 1 1
85 1 1 1 1 28 ALA H . 28 . HN 1 1
85 1 2 1 1 29 GLY H . 29 . HN 1 1
86 1 1 1 1 29 GLY H . 29 . HN 1 1
86 1 2 1 1 30 ILE H . 30 . HN 1 1
87 1 1 1 1 31 LEU H . 31 . HN 1 1
87 1 2 1 1 32 THR H . 32 . HN 1 1
88 1 1 1 1 32 THR H . 32 . HN 1 1
88 1 2 1 1 33 LEU H . 33 . HN 1 1
89 1 1 1 1 6 CYS H . 6 . HN 1 1
89 1 2 1 1 8 ARG H . 8 . HN 1 1
90 1 1 1 1 6 CYS H . 6 . HN 1 1
90 1 2 1 1 11 THR H . 11 . HN 1 1
91 1 1 1 1 10 LYS H . 10 . HN 1 1
91 1 2 1 1 12 CYS H . 12 . HN 1 1
92 1 1 1 1 11 THR H . 11 . HN 1 1
92 1 2 1 1 13 SER H . 13 . HN 1 1
93 1 1 1 1 14 CYS H . 14 . HN 1 1
93 1 2 1 1 16 LEU H . 16 . HN 1 1
94 1 1 1 1 16 LEU H . 16 . HN 1 1
94 1 2 1 1 18 GLU H . 18 . HN 1 1
95 1 1 1 1 15 ARG H . 15 . HN 1 1
95 1 2 1 1 17 TYR H . 17 . HN 1 1
96 1 1 1 1 17 TYR H . 17 . HN 1 1
96 1 2 1 1 19 LEU H . 19 . HN 1 1
97 1 1 1 1 18 GLU H . 18 . HN 1 1
97 1 2 1 1 20 LEU H . 20 . HN 1 1
98 1 1 1 1 19 LEU H . 19 . HN 1 1
98 1 2 1 1 21 HIS H . 21 . HN 1 1
99 1 1 1 1 24 GLY H . 24 . HN 1 1
99 1 2 1 1 26 HIS H . 26 . HN 1 1
100 1 1 1 1 25 ASN H . 25 . HN 1 1
100 1 2 1 1 27 ALA H . 27 . HN 1 1
101 1 1 1 1 26 HIS H . 26 . HN 1 1
101 1 2 1 1 28 ALA H . 28 . HN 1 1
102 1 1 1 1 27 ALA H . 27 . HN 1 1
102 1 2 1 1 29 GLY H . 29 . HN 1 1
103 1 1 1 1 28 ALA H . 28 . HN 1 1
103 1 2 1 1 30 ILE H . 30 . HN 1 1
104 1 1 1 1 15 ARG HA . 15 . HA 1 1
104 1 2 1 1 18 GLU H . 18 . HN 1 1
105 1 1 1 1 16 LEU HA . 16 . HA 1 1
105 1 2 1 1 19 LEU H . 19 . HN 1 1
106 1 1 1 1 17 TYR HA . 17 . HA 1 1
106 1 2 1 1 20 LEU H . 20 . HN 1 1
107 1 1 1 1 25 ASN HA . 25 . HA 1 1
107 1 2 1 1 28 ALA H . 28 . HN 1 1
108 1 1 1 1 26 HIS HA . 26 . HA 1 1
108 1 2 1 1 29 GLY H . 29 . HN 1 1
109 1 1 1 1 28 ALA HA . 28 . HA 1 1
109 1 2 1 1 31 LEU H . 31 . HN 1 1
110 1 1 1 1 27 ALA HA . 27 . HA 1 1
110 1 2 1 1 30 ILE H . 30 . HN 1 1
111 1 1 1 1 28 ALA HA . 28 . HA 1 1
111 1 2 1 1 32 THR H . 32 . HN 1 1
112 1 1 1 1 7 CYS QB . 7 . HB* 1 1
112 1 2 1 1 8 ARG H . 8 . HN 1 1
113 1 1 1 1 9 GLN QB . 9 . HB* 1 1
113 1 2 1 1 10 LYS H . 10 . HN 1 1
114 1 1 1 1 12 CYS QB . 12 . HB* 1 1
114 1 2 1 1 13 SER H . 13 . HN 1 1
115 1 1 1 1 16 LEU QB . 16 . HB* 1 1
115 1 2 1 1 17 TYR H . 17 . HN 1 1
116 1 1 1 1 17 TYR QB . 17 . HB* 1 1
116 1 2 1 1 18 GLU H . 18 . HN 1 1
117 1 1 1 1 18 GLU QB . 18 . HB* 1 1
117 1 2 1 1 19 LEU H . 19 . HN 1 1
118 1 1 1 1 19 LEU QB . 19 . HB* 1 1
118 1 2 1 1 20 LEU H . 20 . HN 1 1
119 1 1 1 1 20 LEU QB . 20 . HB* 1 1
119 1 2 1 1 21 HIS H . 21 . HN 1 1
120 1 1 1 1 26 HIS QB . 26 . HB* 1 1
120 1 2 1 1 27 ALA H . 27 . HN 1 1
121 1 1 1 1 28 ALA MB . 28 . HB* 1 1
121 1 2 1 1 29 GLY H . 29 . HN 1 1
122 1 1 1 1 30 ILE HB . 30 . HB* 1 1
122 1 2 1 1 31 LEU H . 31 . HN 1 1
123 1 1 1 1 16 LEU HG . 16 . HG 1 1
123 1 2 1 1 17 TYR H . 17 . HN 1 1
124 1 1 1 1 16 LEU QD . 16 . HD* 1 1
124 1 2 1 1 17 TYR H . 17 . HN 1 1
125 1 1 1 1 11 THR HG1 . 11 . HG* 1 1
125 1 1 1 1 11 THR MG . 11 . HG* 1 1
125 1 2 1 1 12 CYS H . 12 . HN 1 1
126 1 1 1 1 31 LEU QD . 31 . HD* 1 1
126 1 2 1 1 32 THR H . 32 . HN 1 1
127 1 1 1 1 20 LEU HG . 20 . HG 1 1
127 1 2 1 1 21 HIS H . 21 . HN 1 1
128 1 1 1 1 14 CYS HA . 14 . HA 1 1
128 1 2 1 1 17 TYR QB . 17 . HB* 1 1
129 1 1 1 1 15 ARG HA . 15 . HA 1 1
129 1 2 1 1 18 GLU QB . 18 . HB* 1 1
130 1 1 1 1 16 LEU HA . 16 . HA 1 1
130 1 2 1 1 19 LEU QB . 19 . HB* 1 1
131 1 1 1 1 17 TYR HA . 17 . HA 1 1
131 1 2 1 1 20 LEU QB . 20 . HB* 1 1
132 1 1 1 1 18 GLU HA . 18 . HA 1 1
132 1 2 1 1 21 HIS QB . 21 . HB* 1 1
133 1 1 1 1 27 ALA HA . 27 . HA 1 1
133 1 2 1 1 30 ILE HB . 30 . HB* 1 1
134 1 1 1 1 5 ASP HA . 5 . HA 1 1
134 1 2 1 1 6 CYS H . 6 . HN 1 1
135 1 1 1 1 6 CYS HA . 6 . HA 1 1
135 1 2 1 1 7 CYS H . 7 . HN 1 1
136 1 1 1 1 7 CYS HA . 7 . HA 1 1
136 1 2 1 1 8 ARG H . 8 . HN 1 1
137 1 1 1 1 8 ARG HA . 8 . HA 1 1
137 1 2 1 1 9 GLN H . 9 . HN 1 1
138 1 1 1 1 9 GLN HA . 9 . HA 1 1
138 1 2 1 1 10 LYS H . 10 . HN 1 1
139 1 1 1 1 10 LYS HA . 10 . HA 1 1
139 1 2 1 1 11 THR H . 11 . HN 1 1
140 1 1 1 1 11 THR HA . 11 . HA 1 1
140 1 2 1 1 12 CYS H . 12 . HN 1 1
141 1 1 1 1 12 CYS HA . 12 . HA 1 1
141 1 2 1 1 13 SER H . 13 . HN 1 1
142 1 1 1 1 13 SER HA . 13 . HA 1 1
142 1 2 1 1 14 CYS H . 14 . HN 1 1
143 1 1 1 1 14 CYS HA . 14 . HA 1 1
143 1 2 1 1 15 ARG H . 15 . HN 1 1
144 1 1 1 1 15 ARG HA . 15 . HA 1 1
144 1 2 1 1 16 LEU H . 16 . HN 1 1
145 1 1 1 1 16 LEU HA . 16 . HA 1 1
145 1 2 1 1 17 TYR H . 17 . HN 1 1
146 1 1 1 1 17 TYR HA . 17 . HA 1 1
146 1 2 1 1 18 GLU H . 18 . HN 1 1
147 1 1 1 1 18 GLU HA . 18 . HA 1 1
147 1 2 1 1 19 LEU H . 19 . HN 1 1
148 1 1 1 1 19 LEU HA . 19 . HA 1 1
148 1 2 1 1 20 LEU H . 20 . HN 1 1
149 1 1 1 1 20 LEU HA . 20 . HA 1 1
149 1 2 1 1 21 HIS H . 21 . HN 1 1
150 1 1 1 1 21 HIS HA . 21 . HA 1 1
150 1 2 1 1 22 GLY H . 22 . HN 1 1
151 1 1 1 1 22 GLY QA . 22 . HA* 1 1
151 1 2 1 1 23 ALA H . 23 . HN 1 1
152 1 1 1 1 23 ALA HA . 23 . HA 1 1
152 1 2 1 1 24 GLY H . 24 . HN 1 1
153 1 1 1 1 24 GLY QA . 24 . HA* 1 1
153 1 2 1 1 25 ASN H . 25 . HN 1 1
154 1 1 1 1 25 ASN HA . 25 . HA 1 1
154 1 2 1 1 26 HIS H . 26 . HN 1 1
155 1 1 1 1 26 HIS HA . 26 . HA 1 1
155 1 2 1 1 27 ALA H . 27 . HN 1 1
156 1 1 1 1 27 ALA HA . 27 . HA 1 1
156 1 2 1 1 28 ALA H . 28 . HN 1 1
157 1 1 1 1 28 ALA HA . 28 . HA 1 1
157 1 2 1 1 29 GLY H . 29 . HN 1 1
158 1 1 1 1 29 GLY QA . 29 . HA* 1 1
158 1 2 1 1 30 ILE H . 30 . HN 1 1
159 1 1 1 1 30 ILE HA . 30 . HA 1 1
159 1 2 1 1 31 LEU H . 31 . HN 1 1
160 1 1 1 1 31 LEU HA . 31 . HA 1 1
160 1 2 1 1 32 THR H . 32 . HN 1 1
161 1 1 1 1 32 THR HA . 32 . HA 1 1
161 1 2 1 1 33 LEU H . 33 . HN 1 1
162 1 1 1 1 6 CYS HA . 6 . HA 1 1
162 1 2 1 1 12 CYS H . 12 . HN 1 1
163 1 1 1 1 7 CYS HA . 7 . HA 1 1
163 1 2 1 1 9 GLN H . 9 . HN 1 1
164 1 1 1 1 11 THR HA . 11 . HA 1 1
164 1 2 1 1 12 CYS HA . 12 . HA 1 1
165 1 1 1 1 24 GLY QA . 24 . HA* 1 1
165 1 2 1 1 25 ASN HA . 25 . HA 1 1
166 1 1 1 1 27 ALA HA . 27 . HA 1 1
166 1 2 1 1 28 ALA HA . 28 . HA 1 1
167 1 1 1 1 28 ALA HA . 28 . HA 1 1
167 1 2 1 1 29 GLY QA . 29 . HA* 1 1
168 1 1 1 1 29 GLY QA . 29 . HA* 1 1
168 1 2 1 1 30 ILE HA . 30 . HA 1 1
169 1 1 1 1 30 ILE HA . 30 . HA 1 1
169 1 2 1 1 31 LEU HA . 31 . HA 1 1
170 1 1 1 1 22 GLY QA . 22 . HA* 1 1
170 1 2 1 1 23 ALA HA . 23 . HA 1 1
171 1 1 1 1 23 ALA HA . 23 . HA 1 1
171 1 2 1 1 24 GLY QA . 24 . HA* 1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 3.0 1.8 4.3 1 1
2 1 . . . . . 3.0 1.8 3.3 1 1
3 1 . . . . . 4.0 1.8 5.0 1 1
4 1 . . . . . 4.0 1.8 6.0 1 1
5 1 . . . . . 3.0 1.8 4.3 1 1
6 1 . . . . . 3.0 1.8 3.3 1 1
7 1 . . . . . 2.5 1.8 2.7 1 1
8 1 . . . . . 3.0 1.8 4.3 1 1
9 1 . . . . . 2.5 1.8 2.7 1 1
10 1 . . . . . 3.0 1.8 4.3 1 1
11 1 . . . . . 2.5 1.8 2.7 1 1
12 1 . . . . . 4.0 1.8 6.0 1 1
13 1 . . . . . 4.0 1.8 6.0 1 1
14 1 . . . . . 2.5 1.8 2.7 1 1
15 1 . . . . . 3.0 1.8 4.3 1 1
16 1 . . . . . 4.0 1.8 6.0 1 1
17 1 . . . . . 2.5 1.8 2.7 1 1
18 1 . . . . . 3.0 1.8 4.3 1 1
19 1 . . . . . 3.0 1.8 4.3 1 1
20 1 . . . . . 4.0 1.8 6.0 1 1
21 1 . . . . . 3.0 1.8 3.3 1 1
22 1 . . . . . 3.0 1.8 3.3 1 1
23 1 . . . . . 4.0 1.8 6.0 1 1
24 1 . . . . . 3.0 1.8 3.3 1 1
25 1 . . . . . 3.0 1.8 3.3 1 1
26 1 . . . . . 3.0 1.8 4.3 1 1
27 1 . . . . . 3.0 1.8 3.3 1 1
28 1 . . . . . 3.0 1.8 4.3 1 1
29 1 . . . . . 4.0 1.8 6.0 1 1
30 1 . . . . . 4.0 1.8 6.0 1 1
31 1 . . . . . 3.0 1.8 3.3 1 1
32 1 . . . . . 4.0 1.8 6.0 1 1
33 1 . . . . . 4.0 1.8 6.0 1 1
34 1 . . . . . 3.0 1.8 3.3 1 1
35 1 . . . . . 3.0 1.8 4.3 1 1
36 1 . . . . . 3.0 1.8 3.3 1 1
37 1 . . . . . 3.0 1.8 4.3 1 1
38 1 . . . . . 4.0 1.8 6.0 1 1
39 1 . . . . . 4.0 1.8 5.0 1 1
40 1 . . . . . 4.0 1.8 6.0 1 1
41 1 . . . . . 4.0 1.8 5.0 1 1
42 1 . . . . . 4.0 1.8 6.0 1 1
43 1 . . . . . 3.0 1.8 3.3 1 1
44 1 . . . . . 3.0 1.8 3.3 1 1
45 1 . . . . . 3.0 1.8 4.3 1 1
46 1 . . . . . 3.0 1.8 3.3 1 1
47 1 . . . . . 3.0 1.8 3.3 1 1
48 1 . . . . . 3.0 1.8 3.3 1 1
49 1 . . . . . 3.0 1.8 3.3 1 1
50 1 . . . . . 3.0 1.8 3.3 1 1
51 1 . . . . . 4.0 1.8 6.0 1 1
52 1 . . . . . 4.0 1.8 6.0 1 1
53 1 . . . . . 4.0 1.8 6.0 1 1
54 1 . . . . . 3.0 1.8 3.3 1 1
55 1 . . . . . 3.0 1.8 4.3 1 1
56 1 . . . . . 4.0 1.8 6.0 1 1
57 1 . . . . . 4.0 1.8 6.0 1 1
58 1 . . . . . 3.0 1.8 3.3 1 1
59 1 . . . . . 3.0 1.8 3.3 1 1
60 1 . . . . . 3.0 1.8 4.3 1 1
61 1 . . . . . 3.0 1.8 3.3 1 1
62 1 . . . . . 3.0 1.8 4.3 1 1
63 1 . . . . . 4.0 1.8 6.0 1 1
64 1 . . . . . 4.0 1.8 5.0 1 1
65 1 . . . . . 4.0 1.8 5.0 1 1
66 1 . . . . . 4.0 1.8 5.0 1 1
67 1 . . . . . 4.0 1.8 5.0 1 1
68 1 . . . . . 4.0 1.8 5.0 1 1
69 1 . . . . . 4.0 1.8 5.0 1 1
70 1 . . . . . 4.0 1.8 5.0 1 1
71 1 . . . . . 3.0 1.8 3.3 1 1
72 1 . . . . . 4.0 1.8 5.0 1 1
73 1 . . . . . 3.0 1.8 3.3 1 1
74 1 . . . . . 3.0 1.8 3.3 1 1
75 1 . . . . . 3.0 1.8 3.3 1 1
76 1 . . . . . 3.0 1.8 3.3 1 1
77 1 . . . . . 4.0 1.8 5.0 1 1
78 1 . . . . . 3.0 1.8 3.3 1 1
79 1 . . . . . 3.0 1.8 3.3 1 1
80 1 . . . . . 4.0 1.8 5.0 1 1
81 1 . . . . . 4.0 1.8 5.0 1 1
82 1 . . . . . 4.0 1.8 5.0 1 1
83 1 . . . . . 4.0 1.8 5.0 1 1
84 1 . . . . . 3.0 1.8 3.3 1 1
85 1 . . . . . 3.0 1.8 3.3 1 1
86 1 . . . . . 3.0 1.8 3.3 1 1
87 1 . . . . . 4.0 1.8 5.0 1 1
88 1 . . . . . 4.0 1.8 5.0 1 1
89 1 . . . . . 4.0 1.8 5.0 1 1
90 1 . . . . . 4.0 1.8 5.0 1 1
91 1 . . . . . 4.0 1.8 5.0 1 1
92 1 . . . . . 4.0 1.8 5.0 1 1
93 1 . . . . . 4.0 1.8 5.0 1 1
94 1 . . . . . 4.0 1.8 5.0 1 1
95 1 . . . . . 4.0 1.8 5.0 1 1
96 1 . . . . . 4.0 1.8 5.0 1 1
97 1 . . . . . 4.0 1.8 5.0 1 1
98 1 . . . . . 4.0 1.8 5.0 1 1
99 1 . . . . . 4.0 1.8 5.0 1 1
100 1 . . . . . 4.0 1.8 5.0 1 1
101 1 . . . . . 4.0 1.8 5.0 1 1
102 1 . . . . . 4.0 1.8 5.0 1 1
103 1 . . . . . 4.0 1.8 5.0 1 1
104 1 . . . . . 4.0 1.8 5.0 1 1
105 1 . . . . . 4.0 1.8 5.0 1 1
106 1 . . . . . 4.0 1.8 5.0 1 1
107 1 . . . . . 4.0 1.8 5.0 1 1
108 1 . . . . . 4.0 1.8 5.0 1 1
109 1 . . . . . 4.0 1.8 5.0 1 1
110 1 . . . . . 4.0 1.8 5.0 1 1
111 1 . . . . . 4.0 1.8 5.0 1 1
112 1 . . . . . 4.0 1.8 6.0 1 1
113 1 . . . . . 4.0 1.8 6.0 1 1
114 1 . . . . . 4.0 1.8 6.0 1 1
115 1 . . . . . 4.0 1.8 6.0 1 1
116 1 . . . . . 3.0 1.8 4.3 1 1
117 1 . . . . . 4.0 1.8 6.0 1 1
118 1 . . . . . 4.0 1.8 6.0 1 1
119 1 . . . . . 4.0 1.8 6.0 1 1
120 1 . . . . . 3.0 1.8 4.3 1 1
121 1 . . . . . 3.0 1.8 4.3 1 1
122 1 . . . . . 4.0 1.8 6.0 1 1
123 1 . . . . . 4.0 1.8 5.0 1 1
124 1 . . . . . 4.0 1.8 6.0 1 1
125 1 . . . . . 4.0 1.8 6.0 1 1
126 1 . . . . . 4.0 1.8 6.0 1 1
127 1 . . . . . 4.0 1.8 5.0 1 1
128 1 . . . . . 4.0 1.8 6.0 1 1
129 1 . . . . . 4.0 1.8 6.0 1 1
130 1 . . . . . 4.0 1.8 6.0 1 1
131 1 . . . . . 4.0 1.8 6.0 1 1
132 1 . . . . . 4.0 1.8 6.0 1 1
133 1 . . . . . 4.0 1.8 6.0 1 1
134 1 . . . . . 4.0 1.8 5.0 1 1
135 1 . . . . . 3.0 1.8 3.3 1 1
136 1 . . . . . 3.0 1.8 3.3 1 1
137 1 . . . . . 4.0 1.8 5.0 1 1
138 1 . . . . . 4.0 1.8 5.0 1 1
139 1 . . . . . 4.0 1.8 5.0 1 1
140 1 . . . . . 4.0 1.8 5.0 1 1
141 1 . . . . . 3.0 1.8 3.3 1 1
142 1 . . . . . 4.0 1.8 5.0 1 1
143 1 . . . . . 4.0 1.8 5.0 1 1
144 1 . . . . . 4.0 1.8 5.0 1 1
145 1 . . . . . 4.0 1.8 5.0 1 1
146 1 . . . . . 3.0 1.8 3.3 1 1
147 1 . . . . . 4.0 1.8 5.0 1 1
148 1 . . . . . 4.0 1.8 5.0 1 1
149 1 . . . . . 4.0 1.8 5.0 1 1
150 1 . . . . . 4.0 1.8 5.0 1 1
151 1 . . . . . 4.0 1.8 6.0 1 1
152 1 . . . . . 4.0 1.8 5.0 1 1
153 1 . . . . . 4.0 1.8 6.0 1 1
154 1 . . . . . 4.0 1.8 5.0 1 1
155 1 . . . . . 4.0 1.8 5.0 1 1
156 1 . . . . . 4.0 1.8 5.0 1 1
157 1 . . . . . 3.0 1.8 4.3 1 1
158 1 . . . . . 4.0 1.8 5.0 1 1
159 1 . . . . . 4.0 1.8 5.0 1 1
160 1 . . . . . 3.0 1.8 3.3 1 1
161 1 . . . . . 4.0 1.8 5.0 1 1
162 1 . . . . . 4.0 1.8 5.0 1 1
163 1 . . . . . 4.0 1.8 5.0 1 1
164 1 . . . . . 4.0 1.8 5.0 1 1
165 1 . . . . . 4.0 1.8 6.0 1 1
166 1 . . . . . 4.0 1.8 5.0 1 1
167 1 . . . . . 4.0 1.8 6.0 1 1
168 1 . . . . . 4.0 1.8 6.0 1 1
169 1 . . . . . 4.0 1.8 5.0 1 1
170 1 . . . . . 4.0 1.8 6.0 1 1
171 1 . . . . . 4.0 1.8 6.0 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 2
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 2
2 1 . . . 1 2
3 1 . . . 1 2
4 1 . . . 1 2
5 1 . . . 1 2
6 1 . . . 1 2
7 1 . . . 1 2
8 1 . . . 1 2
9 1 . . . 1 2
10 1 . . . 1 2
11 1 . . . 1 2
12 1 . . . 1 2
13 1 . . . 1 2
14 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 6 CYS O . 6 . O 1 2
1 1 2 1 1 10 LYS N . 10 . N 1 2
2 1 1 1 1 13 SER O . 13 . O 1 2
2 1 2 1 1 17 TYR N . 17 . N 1 2
3 1 1 1 1 14 CYS O . 14 . O 1 2
3 1 2 1 1 18 GLU N . 18 . N 1 2
4 1 1 1 1 15 ARG O . 15 . O 1 2
4 1 2 1 1 19 LEU N . 19 . N 1 2
5 1 1 1 1 16 LEU O . 16 . O 1 2
5 1 2 1 1 20 LEU N . 20 . N 1 2
6 1 1 1 1 17 TYR O . 17 . O 1 2
6 1 2 1 1 21 HIS N . 21 . N 1 2
7 1 1 1 1 28 ALA O . 28 . O 1 2
7 1 2 1 1 32 THR N . 32 . N 1 2
8 1 1 1 1 6 CYS O . 6 . O 1 2
8 1 2 1 1 10 LYS H . 10 . HN 1 2
9 1 1 1 1 13 SER O . 13 . O 1 2
9 1 2 1 1 17 TYR H . 17 . HN 1 2
10 1 1 1 1 14 CYS O . 14 . O 1 2
10 1 2 1 1 18 GLU H . 18 . HN 1 2
11 1 1 1 1 15 ARG O . 15 . O 1 2
11 1 2 1 1 19 LEU H . 19 . HN 1 2
12 1 1 1 1 16 LEU O . 16 . O 1 2
12 1 2 1 1 20 LEU H . 20 . HN 1 2
13 1 1 1 1 17 TYR O . 17 . O 1 2
13 1 2 1 1 21 HIS H . 21 . HN 1 2
14 1 1 1 1 28 ALA O . 28 . O 1 2
14 1 2 1 1 32 THR H . 32 . 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 . . . . . 3.0 2.3 3.5 1 2
2 1 . . . . . 3.0 2.3 3.5 1 2
3 1 . . . . . 3.0 2.3 3.5 1 2
4 1 . . . . . 3.0 2.3 3.5 1 2
5 1 . . . . . 3.0 2.3 3.5 1 2
6 1 . . . . . 3.0 2.3 3.5 1 2
7 1 . . . . . 3.0 2.3 3.5 1 2
8 1 . . . . . 2.0 1.3 2.5 1 2
9 1 . . . . . 2.0 1.3 2.5 1 2
10 1 . . . . . 2.0 1.3 2.5 1 2
11 1 . . . . . 2.0 1.3 2.5 1 2
12 1 . . . . . 2.0 1.3 2.5 1 2
13 1 . . . . . 2.0 1.3 2.5 1 2
14 1 . . . . . 2.0 1.3 2.5 1 2
stop_
save_
save_CNS/XPLOR_dihedral_2
_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 PRO C 1 1 5 ASP N 1 1 5 ASP CA 1 1 5 ASP C -100.0 -10.0 . 4 . C . 5 . N . 5 . CA . 5 . C 1 1
2 . 1 1 5 ASP C 1 1 6 CYS N 1 1 6 CYS CA 1 1 6 CYS C -100.0 -10.0 . 5 . C . 6 . N . 6 . CA . 6 . C 1 1
3 . 1 1 9 GLN C 1 1 10 LYS N 1 1 10 LYS CA 1 1 10 LYS C -100.0 -10.0 . 9 . C . 10 . N . 10 . CA . 10 . C 1 1
4 . 1 1 13 SER C 1 1 14 CYS N 1 1 14 CYS CA 1 1 14 CYS C -100.0 -10.0 . 13 . C . 14 . N . 14 . CA . 14 . C 1 1
5 . 1 1 14 CYS C 1 1 15 ARG N 1 1 15 ARG CA 1 1 15 ARG C -100.0 -10.0 . 14 . C . 15 . N . 15 . CA . 15 . C 1 1
6 . 1 1 15 ARG C 1 1 16 LEU N 1 1 16 LEU CA 1 1 16 LEU C -100.0 -10.0 . 15 . C . 16 . N . 16 . CA . 16 . C 1 1
7 . 1 1 16 LEU C 1 1 17 TYR N 1 1 17 TYR CA 1 1 17 TYR C -100.0 -10.0 . 16 . C . 17 . N . 17 . CA . 17 . C 1 1
8 . 1 1 17 TYR C 1 1 18 GLU N 1 1 18 GLU CA 1 1 18 GLU C -100.0 -10.0 . 17 . C . 18 . N . 18 . CA . 18 . C 1 1
9 . 1 1 18 GLU C 1 1 19 LEU N 1 1 19 LEU CA 1 1 19 LEU C -100.0 -10.0 . 18 . C . 19 . N . 19 . CA . 19 . C 1 1
10 . 1 1 19 LEU C 1 1 20 LEU N 1 1 20 LEU CA 1 1 20 LEU C -100.0 -10.0 . 19 . C . 20 . N . 20 . CA . 20 . C 1 1
11 . 1 1 20 LEU C 1 1 21 HIS N 1 1 21 HIS CA 1 1 21 HIS C -100.0 -10.0 . 20 . C . 21 . N . 21 . CA . 21 . C 1 1
12 . 1 1 23 ALA C 1 1 24 GLY N 1 1 24 GLY CA 1 1 24 GLY C -100.0 -10.0 . 23 . C . 24 . N . 24 . CA . 24 . C 1 1
13 . 1 1 24 GLY C 1 1 25 ASN N 1 1 25 ASN CA 1 1 25 ASN C -100.0 -10.0 . 24 . C . 25 . N . 25 . CA . 25 . C 1 1
14 . 1 1 25 ASN C 1 1 26 HIS N 1 1 26 HIS CA 1 1 26 HIS C -100.0 -10.0 . 25 . C . 26 . N . 26 . CA . 26 . C 1 1
15 . 1 1 26 HIS C 1 1 27 ALA N 1 1 27 ALA CA 1 1 27 ALA C -100.0 -10.0 . 26 . C . 27 . N . 27 . CA . 27 . C 1 1
16 . 1 1 27 ALA C 1 1 28 ALA N 1 1 28 ALA CA 1 1 28 ALA C -100.0 -10.0 . 27 . C . 28 . N . 28 . CA . 28 . 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 GLN C C 5.275 19.686 1.047 1.00 . A A . 1 GLN C 1 1
1 2 1 1 1 GLN CA C 5.949 20.973 1.534 1.00 . A A . 1 GLN CA 1 1
1 3 1 1 1 GLN CB C 4.928 22.115 1.616 1.00 . A A . 1 GLN CB 1 1
1 4 1 1 1 GLN CD C 3.987 21.223 3.784 1.00 . A A . 1 GLN CD 1 1
1 5 1 1 1 GLN CG C 3.676 21.765 2.403 1.00 . A A . 1 GLN CG 1 1
1 6 1 1 1 GLN H1 H 7.823 21.771 1.239 1.00 . A A . 1 GLN H1 1 1
1 7 1 1 1 GLN H2 H 6.702 22.105 -0.016 1.00 . A A . 1 GLN H2 1 1
1 8 1 1 1 GLN H3 H 7.392 20.540 0.130 1.00 . A A . 1 GLN H3 1 1
1 9 1 1 1 GLN HA H 6.354 20.797 2.521 1.00 . A A . 1 GLN HA 1 1
1 10 1 1 1 GLN HB2 H 5.397 22.965 2.088 1.00 . A A . 1 GLN HB2 1 1
1 11 1 1 1 GLN HB3 H 4.631 22.391 0.615 1.00 . A A . 1 GLN HB3 1 1
1 12 1 1 1 GLN HG2 H 3.073 22.656 2.510 1.00 . A A . 1 GLN HG2 1 1
1 13 1 1 1 GLN HG3 H 3.119 21.019 1.857 1.00 . A A . 1 GLN HG3 1 1
1 14 1 1 1 GLN N N 7.066 21.384 0.641 1.00 . A A . 1 GLN N 1 1
1 15 1 1 1 GLN NE2 N 4.475 22.002 4.632 1.00 . A A . 1 GLN NE2 1 1
1 16 1 1 1 GLN O O 5.014 18.782 1.840 1.00 . A A . 1 GLN O 1 1
1 17 1 1 1 GLN OE1 O 3.745 20.021 4.019 1.00 . A A . 1 GLN OE1 1 1
1 18 1 1 2 PRO C C 5.069 17.099 -0.447 1.00 . A A . 2 PRO C 1 1
1 19 1 1 2 PRO CA C 4.342 18.385 -0.827 1.00 . A A . 2 PRO CA 1 1
1 20 1 1 2 PRO CB C 4.420 18.613 -2.338 1.00 . A A . 2 PRO CB 1 1
1 21 1 1 2 PRO CD C 5.254 20.596 -1.300 1.00 . A A . 2 PRO CD 1 1
1 22 1 1 2 PRO CG C 4.493 20.092 -2.493 1.00 . A A . 2 PRO CG 1 1
1 23 1 1 2 PRO HA H 3.307 18.314 -0.523 1.00 . A A . 2 PRO HA 1 1
1 24 1 1 2 PRO HB2 H 5.300 18.128 -2.734 1.00 . A A . 2 PRO HB2 1 1
1 25 1 1 2 PRO HB3 H 3.536 18.211 -2.811 1.00 . A A . 2 PRO HB3 1 1
1 26 1 1 2 PRO HD2 H 6.311 20.649 -1.521 1.00 . A A . 2 PRO HD2 1 1
1 27 1 1 2 PRO HD3 H 4.883 21.562 -0.997 1.00 . A A . 2 PRO HD3 1 1
1 28 1 1 2 PRO HG2 H 5.017 20.340 -3.405 1.00 . A A . 2 PRO HG2 1 1
1 29 1 1 2 PRO HG3 H 3.497 20.510 -2.506 1.00 . A A . 2 PRO HG3 1 1
1 30 1 1 2 PRO N N 4.985 19.578 -0.265 1.00 . A A . 2 PRO N 1 1
1 31 1 1 2 PRO O O 4.476 16.021 -0.438 1.00 . A A . 2 PRO O 1 1
1 32 1 1 3 LEU C C 7.187 15.037 -0.890 1.00 . A A . 3 LEU C 1 1
1 33 1 1 3 LEU CA C 7.159 16.061 0.243 1.00 . A A . 3 LEU CA 1 1
1 34 1 1 3 LEU CB C 6.595 15.420 1.515 1.00 . A A . 3 LEU CB 1 1
1 35 1 1 3 LEU CD1 C 6.447 15.364 4.017 1.00 . A A . 3 LEU CD1 1 1
1 36 1 1 3 LEU CD2 C 8.375 16.511 2.912 1.00 . A A . 3 LEU CD2 1 1
1 37 1 1 3 LEU CG C 6.892 16.177 2.811 1.00 . A A . 3 LEU CG 1 1
1 38 1 1 3 LEU H H 6.778 18.104 -0.161 1.00 . A A . 3 LEU H 1 1
1 39 1 1 3 LEU HA H 8.166 16.399 0.435 1.00 . A A . 3 LEU HA 1 1
1 40 1 1 3 LEU HB2 H 5.522 15.345 1.407 1.00 . A A . 3 LEU HB2 1 1
1 41 1 1 3 LEU HB3 H 6.999 14.424 1.605 1.00 . A A . 3 LEU HB3 1 1
1 42 1 1 3 LEU HD11 H 6.310 16.019 4.865 1.00 . A A . 3 LEU HD11 1 1
1 43 1 1 3 LEU HD12 H 7.200 14.624 4.251 1.00 . A A . 3 LEU HD12 1 1
1 44 1 1 3 LEU HD13 H 5.514 14.868 3.793 1.00 . A A . 3 LEU HD13 1 1
1 45 1 1 3 LEU HD21 H 8.940 15.836 2.288 1.00 . A A . 3 LEU HD21 1 1
1 46 1 1 3 LEU HD22 H 8.699 16.411 3.936 1.00 . A A . 3 LEU HD22 1 1
1 47 1 1 3 LEU HD23 H 8.537 17.526 2.582 1.00 . A A . 3 LEU HD23 1 1
1 48 1 1 3 LEU HG H 6.339 17.105 2.815 1.00 . A A . 3 LEU HG 1 1
1 49 1 1 3 LEU N N 6.357 17.218 -0.135 1.00 . A A . 3 LEU N 1 1
1 50 1 1 3 LEU O O 6.360 15.090 -1.798 1.00 . A A . 3 LEU O 1 1
1 51 1 1 4 PRO C C 6.918 12.489 -2.304 1.00 . A A . 4 PRO C 1 1
1 52 1 1 4 PRO CA C 8.271 13.051 -1.880 1.00 . A A . 4 PRO CA 1 1
1 53 1 1 4 PRO CB C 9.122 11.963 -1.203 1.00 . A A . 4 PRO CB 1 1
1 54 1 1 4 PRO CD C 9.170 13.934 0.178 1.00 . A A . 4 PRO CD 1 1
1 55 1 1 4 PRO CG C 9.396 12.451 0.188 1.00 . A A . 4 PRO CG 1 1
1 56 1 1 4 PRO HA H 8.789 13.425 -2.752 1.00 . A A . 4 PRO HA 1 1
1 57 1 1 4 PRO HB2 H 8.574 11.034 -1.189 1.00 . A A . 4 PRO HB2 1 1
1 58 1 1 4 PRO HB3 H 10.040 11.831 -1.757 1.00 . A A . 4 PRO HB3 1 1
1 59 1 1 4 PRO HD2 H 8.813 14.272 1.138 1.00 . A A . 4 PRO HD2 1 1
1 60 1 1 4 PRO HD3 H 10.075 14.454 -0.098 1.00 . A A . 4 PRO HD3 1 1
1 61 1 1 4 PRO HG2 H 8.717 11.976 0.881 1.00 . A A . 4 PRO HG2 1 1
1 62 1 1 4 PRO HG3 H 10.419 12.231 0.459 1.00 . A A . 4 PRO HG3 1 1
1 63 1 1 4 PRO N N 8.143 14.087 -0.855 1.00 . A A . 4 PRO N 1 1
1 64 1 1 4 PRO O O 6.125 12.056 -1.470 1.00 . A A . 4 PRO O 1 1
1 65 1 1 5 ASP C C 5.063 10.629 -3.623 1.00 . A A . 5 ASP C 1 1
1 66 1 1 5 ASP CA C 5.403 12.018 -4.160 1.00 . A A . 5 ASP CA 1 1
1 67 1 1 5 ASP CB C 5.478 11.978 -5.687 1.00 . A A . 5 ASP CB 1 1
1 68 1 1 5 ASP CG C 4.157 12.332 -6.341 1.00 . A A . 5 ASP CG 1 1
1 69 1 1 5 ASP H H 7.335 12.879 -4.219 1.00 . A A . 5 ASP H 1 1
1 70 1 1 5 ASP HA H 4.622 12.703 -3.867 1.00 . A A . 5 ASP HA 1 1
1 71 1 1 5 ASP HB2 H 6.224 12.684 -6.022 1.00 . A A . 5 ASP HB2 1 1
1 72 1 1 5 ASP HB3 H 5.761 10.985 -6.002 1.00 . A A . 5 ASP HB3 1 1
1 73 1 1 5 ASP N N 6.661 12.512 -3.609 1.00 . A A . 5 ASP N 1 1
1 74 1 1 5 ASP O O 5.459 9.616 -4.199 1.00 . A A . 5 ASP O 1 1
1 75 1 1 5 ASP OD1 O 3.122 11.763 -5.934 1.00 . A A . 5 ASP OD1 1 1
1 76 1 1 5 ASP OD2 O 4.157 13.178 -7.260 1.00 . A A . 5 ASP OD2 1 1
1 77 1 1 6 CYS C C 2.560 8.906 -2.404 1.00 . A A . 6 CYS C 1 1
1 78 1 1 6 CYS CA C 3.932 9.344 -1.901 1.00 . A A . 6 CYS CA 1 1
1 79 1 1 6 CYS CB C 3.921 9.486 -0.377 1.00 . A A . 6 CYS CB 1 1
1 80 1 1 6 CYS H H 4.045 11.423 -2.104 1.00 . A A . 6 CYS H 1 1
1 81 1 1 6 CYS HA H 4.660 8.612 -2.179 1.00 . A A . 6 CYS HA 1 1
1 82 1 1 6 CYS HB2 H 3.835 10.532 -0.122 1.00 . A A . 6 CYS HB2 1 1
1 83 1 1 6 CYS HB3 H 3.071 8.955 0.019 1.00 . A A . 6 CYS HB3 1 1
1 84 1 1 6 CYS N N 4.328 10.593 -2.515 1.00 . A A . 6 CYS N 1 1
1 85 1 1 6 CYS O O 1.599 8.829 -1.638 1.00 . A A . 6 CYS O 1 1
1 86 1 1 6 CYS SG S 5.414 8.839 0.444 1.00 . A A . 6 CYS SG 1 1
1 87 1 1 7 CYS C C 0.168 9.297 -4.203 1.00 . A A . 7 CYS C 1 1
1 88 1 1 7 CYS CA C 1.222 8.201 -4.314 1.00 . A A . 7 CYS CA 1 1
1 89 1 1 7 CYS CB C 0.714 6.915 -3.658 1.00 . A A . 7 CYS CB 1 1
1 90 1 1 7 CYS H H 3.275 8.712 -4.262 1.00 . A A . 7 CYS H 1 1
1 91 1 1 7 CYS HA H 1.413 8.009 -5.359 1.00 . A A . 7 CYS HA 1 1
1 92 1 1 7 CYS HB2 H 0.654 7.065 -2.590 1.00 . A A . 7 CYS HB2 1 1
1 93 1 1 7 CYS HB3 H -0.271 6.690 -4.040 1.00 . A A . 7 CYS HB3 1 1
1 94 1 1 7 CYS N N 2.476 8.626 -3.702 1.00 . A A . 7 CYS N 1 1
1 95 1 1 7 CYS O O -0.782 9.187 -3.428 1.00 . A A . 7 CYS O 1 1
1 96 1 1 7 CYS SG S 1.771 5.464 -3.955 1.00 . A A . 7 CYS SG 1 1
1 97 1 1 8 ARG C C -0.588 12.192 -3.639 1.00 . A A . 8 ARG C 1 1
1 98 1 1 8 ARG CA C -0.592 11.476 -4.987 1.00 . A A . 8 ARG CA 1 1
1 99 1 1 8 ARG CB C -2.004 10.990 -5.320 1.00 . A A . 8 ARG CB 1 1
1 100 1 1 8 ARG CD C -3.003 12.565 -6.999 1.00 . A A . 8 ARG CD 1 1
1 101 1 1 8 ARG CG C -2.388 11.193 -6.775 1.00 . A A . 8 ARG CG 1 1
1 102 1 1 8 ARG CZ C -1.103 14.133 -7.042 1.00 . A A . 8 ARG CZ 1 1
1 103 1 1 8 ARG H H 1.119 10.384 -5.586 1.00 . A A . 8 ARG H 1 1
1 104 1 1 8 ARG HA H -0.272 12.172 -5.748 1.00 . A A . 8 ARG HA 1 1
1 105 1 1 8 ARG HB2 H -2.070 9.935 -5.096 1.00 . A A . 8 ARG HB2 1 1
1 106 1 1 8 ARG HB3 H -2.713 11.525 -4.705 1.00 . A A . 8 ARG HB3 1 1
1 107 1 1 8 ARG HD2 H -3.115 12.726 -8.062 1.00 . A A . 8 ARG HD2 1 1
1 108 1 1 8 ARG HD3 H -3.977 12.588 -6.531 1.00 . A A . 8 ARG HD3 1 1
1 109 1 1 8 ARG HE H -2.449 14.007 -5.574 1.00 . A A . 8 ARG HE 1 1
1 110 1 1 8 ARG HG2 H -1.503 11.103 -7.386 1.00 . A A . 8 ARG HG2 1 1
1 111 1 1 8 ARG HG3 H -3.102 10.436 -7.058 1.00 . A A . 8 ARG HG3 1 1
1 112 1 1 8 ARG HH11 H -1.213 12.909 -8.648 1.00 . A A . 8 ARG HH11 1 1
1 113 1 1 8 ARG HH12 H 0.107 14.030 -8.657 1.00 . A A . 8 ARG HH12 1 1
1 114 1 1 8 ARG HH21 H -0.714 15.484 -5.587 1.00 . A A . 8 ARG HH21 1 1
1 115 1 1 8 ARG HH22 H 0.390 15.491 -6.922 1.00 . A A . 8 ARG HH22 1 1
1 116 1 1 8 ARG N N 0.343 10.357 -4.989 1.00 . A A . 8 ARG N 1 1
1 117 1 1 8 ARG NE N -2.182 13.636 -6.440 1.00 . A A . 8 ARG NE 1 1
1 118 1 1 8 ARG NH1 N -0.703 13.651 -8.212 1.00 . A A . 8 ARG NH1 1 1
1 119 1 1 8 ARG NH2 N -0.420 15.116 -6.469 1.00 . A A . 8 ARG NH2 1 1
1 120 1 1 8 ARG O O -1.576 12.824 -3.260 1.00 . A A . 8 ARG O 1 1
1 121 1 1 9 GLN C C -0.448 12.255 -0.667 1.00 . A A . 9 GLN C 1 1
1 122 1 1 9 GLN CA C 0.649 12.732 -1.613 1.00 . A A . 9 GLN CA 1 1
1 123 1 1 9 GLN CB C 0.583 14.254 -1.763 1.00 . A A . 9 GLN CB 1 1
1 124 1 1 9 GLN CD C 0.166 16.215 -0.226 1.00 . A A . 9 GLN CD 1 1
1 125 1 1 9 GLN CG C 1.035 15.008 -0.524 1.00 . A A . 9 GLN CG 1 1
1 126 1 1 9 GLN H H 1.280 11.575 -3.270 1.00 . A A . 9 GLN H 1 1
1 127 1 1 9 GLN HA H 1.609 12.460 -1.200 1.00 . A A . 9 GLN HA 1 1
1 128 1 1 9 GLN HB2 H 1.213 14.550 -2.589 1.00 . A A . 9 GLN HB2 1 1
1 129 1 1 9 GLN HB3 H -0.437 14.538 -1.980 1.00 . A A . 9 GLN HB3 1 1
1 130 1 1 9 GLN HE21 H 0.403 15.934 1.728 1.00 . A A . 9 GLN HE21 1 1
1 131 1 1 9 GLN HE22 H -0.580 17.281 1.276 1.00 . A A . 9 GLN HE22 1 1
1 132 1 1 9 GLN HG2 H 0.997 14.339 0.323 1.00 . A A . 9 GLN HG2 1 1
1 133 1 1 9 GLN HG3 H 2.051 15.341 -0.672 1.00 . A A . 9 GLN HG3 1 1
1 134 1 1 9 GLN N N 0.525 12.091 -2.918 1.00 . A A . 9 GLN N 1 1
1 135 1 1 9 GLN NE2 N -0.023 16.507 1.055 1.00 . A A . 9 GLN NE2 1 1
1 136 1 1 9 GLN O O -0.985 13.034 0.122 1.00 . A A . 9 GLN O 1 1
1 137 1 1 9 GLN OE1 O -0.329 16.878 -1.138 1.00 . A A . 9 GLN OE1 1 1
1 138 1 1 10 LYS C C -1.236 9.834 1.379 1.00 . A A . 10 LYS C 1 1
1 139 1 1 10 LYS CA C -1.814 10.388 0.079 1.00 . A A . 10 LYS CA 1 1
1 140 1 1 10 LYS CB C -2.545 9.280 -0.681 1.00 . A A . 10 LYS CB 1 1
1 141 1 1 10 LYS CD C -4.769 10.085 -1.529 1.00 . A A . 10 LYS CD 1 1
1 142 1 1 10 LYS CE C -4.878 11.550 -1.144 1.00 . A A . 10 LYS CE 1 1
1 143 1 1 10 LYS CG C -4.049 9.280 -0.459 1.00 . A A . 10 LYS CG 1 1
1 144 1 1 10 LYS H H -0.331 10.407 -1.402 1.00 . A A . 10 LYS H 1 1
1 145 1 1 10 LYS HA H -2.509 11.168 0.310 1.00 . A A . 10 LYS HA 1 1
1 146 1 1 10 LYS HB2 H -2.359 9.402 -1.738 1.00 . A A . 10 LYS HB2 1 1
1 147 1 1 10 LYS HB3 H -2.156 8.324 -0.363 1.00 . A A . 10 LYS HB3 1 1
1 148 1 1 10 LYS HD2 H -4.219 10.006 -2.455 1.00 . A A . 10 LYS HD2 1 1
1 149 1 1 10 LYS HD3 H -5.761 9.680 -1.662 1.00 . A A . 10 LYS HD3 1 1
1 150 1 1 10 LYS HE2 H -3.883 11.957 -1.036 1.00 . A A . 10 LYS HE2 1 1
1 151 1 1 10 LYS HE3 H -5.398 12.078 -1.929 1.00 . A A . 10 LYS HE3 1 1
1 152 1 1 10 LYS HG2 H -4.407 8.262 -0.486 1.00 . A A . 10 LYS HG2 1 1
1 153 1 1 10 LYS HG3 H -4.260 9.712 0.508 1.00 . A A . 10 LYS HG3 1 1
1 154 1 1 10 LYS HZ1 H -6.044 12.683 0.169 1.00 . A A . 10 LYS HZ1 1 1
1 155 1 1 10 LYS HZ2 H -4.968 11.631 0.942 1.00 . A A . 10 LYS HZ2 1 1
1 156 1 1 10 LYS HZ3 H -6.371 11.023 0.219 1.00 . A A . 10 LYS HZ3 1 1
1 157 1 1 10 LYS N N -0.782 10.971 -0.756 1.00 . A A . 10 LYS N 1 1
1 158 1 1 10 LYS NZ N -5.617 11.735 0.136 1.00 . A A . 10 LYS NZ 1 1
1 159 1 1 10 LYS O O -1.820 8.940 1.988 1.00 . A A . 10 LYS O 1 1
1 160 1 1 11 THR C C 1.287 8.589 2.817 1.00 . A A . 11 THR C 1 1
1 161 1 1 11 THR CA C 0.568 9.924 3.029 1.00 . A A . 11 THR CA 1 1
1 162 1 1 11 THR CB C -0.446 9.832 4.184 1.00 . A A . 11 THR CB 1 1
1 163 1 1 11 THR CG2 C -0.915 8.424 4.505 1.00 . A A . 11 THR CG2 1 1
1 164 1 1 11 THR H H 0.329 11.076 1.269 1.00 . A A . 11 THR H 1 1
1 165 1 1 11 THR HA H 1.309 10.669 3.280 1.00 . A A . 11 THR HA 1 1
1 166 1 1 11 THR HB H -1.318 10.417 3.924 1.00 . A A . 11 THR HB 1 1
1 167 1 1 11 THR HG1 H -0.001 11.330 5.367 1.00 . A A . 11 THR HG1 1 1
1 168 1 1 11 THR HG21 H -1.918 8.459 4.906 1.00 . A A . 11 THR HG21 1 1
1 169 1 1 11 THR HG22 H -0.252 7.981 5.234 1.00 . A A . 11 THR HG22 1 1
1 170 1 1 11 THR HG23 H -0.909 7.827 3.606 1.00 . A A . 11 THR HG23 1 1
1 171 1 1 11 THR N N -0.089 10.368 1.800 1.00 . A A . 11 THR N 1 1
1 172 1 1 11 THR O O 1.626 7.896 3.776 1.00 . A A . 11 THR O 1 1
1 173 1 1 11 THR OG1 O 0.103 10.375 5.371 1.00 . A A . 11 THR OG1 1 1
1 174 1 1 12 CYS C C 1.353 5.785 1.590 1.00 . A A . 12 CYS C 1 1
1 175 1 1 12 CYS CA C 2.204 6.996 1.217 1.00 . A A . 12 CYS CA 1 1
1 176 1 1 12 CYS CB C 3.566 6.929 1.915 1.00 . A A . 12 CYS CB 1 1
1 177 1 1 12 CYS H H 1.234 8.835 0.831 1.00 . A A . 12 CYS H 1 1
1 178 1 1 12 CYS HA H 2.360 6.989 0.147 1.00 . A A . 12 CYS HA 1 1
1 179 1 1 12 CYS HB2 H 3.683 7.801 2.541 1.00 . A A . 12 CYS HB2 1 1
1 180 1 1 12 CYS HB3 H 3.608 6.042 2.528 1.00 . A A . 12 CYS HB3 1 1
1 181 1 1 12 CYS N N 1.521 8.240 1.555 1.00 . A A . 12 CYS N 1 1
1 182 1 1 12 CYS O O 1.857 4.798 2.127 1.00 . A A . 12 CYS O 1 1
1 183 1 1 12 CYS SG S 4.983 6.881 0.769 1.00 . A A . 12 CYS SG 1 1
1 184 1 1 13 SER C C -0.442 3.499 0.874 1.00 . A A . 13 SER C 1 1
1 185 1 1 13 SER CA C -0.861 4.777 1.595 1.00 . A A . 13 SER CA 1 1
1 186 1 1 13 SER CB C -2.286 5.161 1.190 1.00 . A A . 13 SER CB 1 1
1 187 1 1 13 SER H H -0.282 6.678 0.866 1.00 . A A . 13 SER H 1 1
1 188 1 1 13 SER HA H -0.834 4.602 2.659 1.00 . A A . 13 SER HA 1 1
1 189 1 1 13 SER HB2 H -2.924 4.293 1.263 1.00 . A A . 13 SER HB2 1 1
1 190 1 1 13 SER HB3 H -2.650 5.932 1.851 1.00 . A A . 13 SER HB3 1 1
1 191 1 1 13 SER HG H -1.896 5.013 -0.725 1.00 . A A . 13 SER HG 1 1
1 192 1 1 13 SER N N 0.060 5.866 1.296 1.00 . A A . 13 SER N 1 1
1 193 1 1 13 SER O O -0.772 2.393 1.306 1.00 . A A . 13 SER O 1 1
1 194 1 1 13 SER OG O -2.326 5.644 -0.142 1.00 . A A . 13 SER OG 1 1
1 195 1 1 14 CYS C C 1.599 1.574 -0.146 1.00 . A A . 14 CYS C 1 1
1 196 1 1 14 CYS CA C 0.755 2.515 -1.004 1.00 . A A . 14 CYS CA 1 1
1 197 1 1 14 CYS CB C 1.567 2.992 -2.209 1.00 . A A . 14 CYS CB 1 1
1 198 1 1 14 CYS H H 0.522 4.561 -0.520 1.00 . A A . 14 CYS H 1 1
1 199 1 1 14 CYS HA H -0.113 1.979 -1.357 1.00 . A A . 14 CYS HA 1 1
1 200 1 1 14 CYS HB2 H 2.350 3.652 -1.869 1.00 . A A . 14 CYS HB2 1 1
1 201 1 1 14 CYS HB3 H 2.013 2.136 -2.695 1.00 . A A . 14 CYS HB3 1 1
1 202 1 1 14 CYS N N 0.290 3.656 -0.226 1.00 . A A . 14 CYS N 1 1
1 203 1 1 14 CYS O O 1.705 0.384 -0.439 1.00 . A A . 14 CYS O 1 1
1 204 1 1 14 CYS SG S 0.589 3.891 -3.455 1.00 . A A . 14 CYS SG 1 1
1 205 1 1 15 ARG C C 2.266 0.093 2.309 1.00 . A A . 15 ARG C 1 1
1 206 1 1 15 ARG CA C 3.027 1.317 1.811 1.00 . A A . 15 ARG CA 1 1
1 207 1 1 15 ARG CB C 3.490 2.163 2.998 1.00 . A A . 15 ARG CB 1 1
1 208 1 1 15 ARG CD C 5.988 2.383 3.180 1.00 . A A . 15 ARG CD 1 1
1 209 1 1 15 ARG CG C 4.700 3.029 2.692 1.00 . A A . 15 ARG CG 1 1
1 210 1 1 15 ARG CZ C 7.028 1.439 1.155 1.00 . A A . 15 ARG CZ 1 1
1 211 1 1 15 ARG H H 2.074 3.068 1.098 1.00 . A A . 15 ARG H 1 1
1 212 1 1 15 ARG HA H 3.892 0.988 1.256 1.00 . A A . 15 ARG HA 1 1
1 213 1 1 15 ARG HB2 H 2.680 2.809 3.303 1.00 . A A . 15 ARG HB2 1 1
1 214 1 1 15 ARG HB3 H 3.742 1.505 3.816 1.00 . A A . 15 ARG HB3 1 1
1 215 1 1 15 ARG HD2 H 6.767 3.130 3.194 1.00 . A A . 15 ARG HD2 1 1
1 216 1 1 15 ARG HD3 H 5.830 2.009 4.181 1.00 . A A . 15 ARG HD3 1 1
1 217 1 1 15 ARG HE H 6.215 0.368 2.628 1.00 . A A . 15 ARG HE 1 1
1 218 1 1 15 ARG HG2 H 4.766 3.175 1.624 1.00 . A A . 15 ARG HG2 1 1
1 219 1 1 15 ARG HG3 H 4.580 3.984 3.181 1.00 . A A . 15 ARG HG3 1 1
1 220 1 1 15 ARG HH11 H 7.047 3.460 1.242 1.00 . A A . 15 ARG HH11 1 1
1 221 1 1 15 ARG HH12 H 7.773 2.771 -0.171 1.00 . A A . 15 ARG HH12 1 1
1 222 1 1 15 ARG HH21 H 7.170 -0.540 0.772 1.00 . A A . 15 ARG HH21 1 1
1 223 1 1 15 ARG HH22 H 7.843 0.500 -0.438 1.00 . A A . 15 ARG HH22 1 1
1 224 1 1 15 ARG N N 2.196 2.115 0.913 1.00 . A A . 15 ARG N 1 1
1 225 1 1 15 ARG NE N 6.406 1.278 2.321 1.00 . A A . 15 ARG NE 1 1
1 226 1 1 15 ARG NH1 N 7.306 2.657 0.705 1.00 . A A . 15 ARG NH1 1 1
1 227 1 1 15 ARG NH2 N 7.375 0.380 0.438 1.00 . A A . 15 ARG NH2 1 1
1 228 1 1 15 ARG O O 2.786 -1.023 2.293 1.00 . A A . 15 ARG O 1 1
1 229 1 1 16 LEU C C -0.245 -1.676 2.091 1.00 . A A . 16 LEU C 1 1
1 230 1 1 16 LEU CA C 0.196 -0.779 3.239 1.00 . A A . 16 LEU CA 1 1
1 231 1 1 16 LEU CB C -1.030 -0.223 3.967 1.00 . A A . 16 LEU CB 1 1
1 232 1 1 16 LEU CD1 C -0.807 2.127 4.817 1.00 . A A . 16 LEU CD1 1 1
1 233 1 1 16 LEU CD2 C -1.678 0.331 6.326 1.00 . A A . 16 LEU CD2 1 1
1 234 1 1 16 LEU CG C -0.724 0.654 5.184 1.00 . A A . 16 LEU CG 1 1
1 235 1 1 16 LEU H H 0.669 1.220 2.730 1.00 . A A . 16 LEU H 1 1
1 236 1 1 16 LEU HA H 0.784 -1.361 3.934 1.00 . A A . 16 LEU HA 1 1
1 237 1 1 16 LEU HB2 H -1.605 0.361 3.263 1.00 . A A . 16 LEU HB2 1 1
1 238 1 1 16 LEU HB3 H -1.635 -1.056 4.294 1.00 . A A . 16 LEU HB3 1 1
1 239 1 1 16 LEU HD11 H -1.739 2.536 5.178 1.00 . A A . 16 LEU HD11 1 1
1 240 1 1 16 LEU HD12 H -0.759 2.234 3.743 1.00 . A A . 16 LEU HD12 1 1
1 241 1 1 16 LEU HD13 H 0.017 2.658 5.269 1.00 . A A . 16 LEU HD13 1 1
1 242 1 1 16 LEU HD21 H -1.507 -0.680 6.664 1.00 . A A . 16 LEU HD21 1 1
1 243 1 1 16 LEU HD22 H -2.697 0.428 5.981 1.00 . A A . 16 LEU HD22 1 1
1 244 1 1 16 LEU HD23 H -1.507 1.018 7.142 1.00 . A A . 16 LEU HD23 1 1
1 245 1 1 16 LEU HG H 0.283 0.450 5.521 1.00 . A A . 16 LEU HG 1 1
1 246 1 1 16 LEU N N 1.031 0.309 2.745 1.00 . A A . 16 LEU N 1 1
1 247 1 1 16 LEU O O -0.281 -2.900 2.222 1.00 . A A . 16 LEU O 1 1
1 248 1 1 17 TYR C C 0.154 -2.528 -0.876 1.00 . A A . 17 TYR C 1 1
1 249 1 1 17 TYR CA C -1.013 -1.797 -0.217 1.00 . A A . 17 TYR CA 1 1
1 250 1 1 17 TYR CB C -1.671 -0.850 -1.223 1.00 . A A . 17 TYR CB 1 1
1 251 1 1 17 TYR CD1 C -4.055 -1.632 -1.506 1.00 . A A . 17 TYR CD1 1 1
1 252 1 1 17 TYR CD2 C -3.671 0.408 -0.335 1.00 . A A . 17 TYR CD2 1 1
1 253 1 1 17 TYR CE1 C -5.416 -1.487 -1.321 1.00 . A A . 17 TYR CE1 1 1
1 254 1 1 17 TYR CE2 C -5.033 0.560 -0.146 1.00 . A A . 17 TYR CE2 1 1
1 255 1 1 17 TYR CG C -3.160 -0.688 -1.017 1.00 . A A . 17 TYR CG 1 1
1 256 1 1 17 TYR CZ C -5.900 -0.391 -0.640 1.00 . A A . 17 TYR CZ 1 1
1 257 1 1 17 TYR H H -0.524 -0.078 0.921 1.00 . A A . 17 TYR H 1 1
1 258 1 1 17 TYR HA H -1.735 -2.525 0.104 1.00 . A A . 17 TYR HA 1 1
1 259 1 1 17 TYR HB2 H -1.217 0.126 -1.138 1.00 . A A . 17 TYR HB2 1 1
1 260 1 1 17 TYR HB3 H -1.511 -1.231 -2.221 1.00 . A A . 17 TYR HB3 1 1
1 261 1 1 17 TYR HD1 H -3.672 -2.491 -2.037 1.00 . A A . 17 TYR HD1 1 1
1 262 1 1 17 TYR HD2 H -2.990 1.152 0.052 1.00 . A A . 17 TYR HD2 1 1
1 263 1 1 17 TYR HE1 H -6.096 -2.233 -1.709 1.00 . A A . 17 TYR HE1 1 1
1 264 1 1 17 TYR HE2 H -5.411 1.420 0.387 1.00 . A A . 17 TYR HE2 1 1
1 265 1 1 17 TYR HH H -7.573 -0.925 0.141 1.00 . A A . 17 TYR HH 1 1
1 266 1 1 17 TYR N N -0.576 -1.056 0.961 1.00 . A A . 17 TYR N 1 1
1 267 1 1 17 TYR O O -0.045 -3.390 -1.732 1.00 . A A . 17 TYR O 1 1
1 268 1 1 17 TYR OH O -7.256 -0.244 -0.455 1.00 . A A . 17 TYR OH 1 1
1 269 1 1 18 GLU C C 2.800 -4.171 -0.389 1.00 . A A . 18 GLU C 1 1
1 270 1 1 18 GLU CA C 2.567 -2.803 -1.018 1.00 . A A . 18 GLU CA 1 1
1 271 1 1 18 GLU CB C 3.786 -1.905 -0.789 1.00 . A A . 18 GLU CB 1 1
1 272 1 1 18 GLU CD C 5.443 -0.344 -1.883 1.00 . A A . 18 GLU CD 1 1
1 273 1 1 18 GLU CG C 4.049 -0.938 -1.932 1.00 . A A . 18 GLU CG 1 1
1 274 1 1 18 GLU H H 1.462 -1.489 0.215 1.00 . A A . 18 GLU H 1 1
1 275 1 1 18 GLU HA H 2.420 -2.927 -2.080 1.00 . A A . 18 GLU HA 1 1
1 276 1 1 18 GLU HB2 H 3.630 -1.332 0.112 1.00 . A A . 18 GLU HB2 1 1
1 277 1 1 18 GLU HB3 H 4.658 -2.528 -0.664 1.00 . A A . 18 GLU HB3 1 1
1 278 1 1 18 GLU HG2 H 3.931 -1.465 -2.867 1.00 . A A . 18 GLU HG2 1 1
1 279 1 1 18 GLU HG3 H 3.329 -0.135 -1.880 1.00 . A A . 18 GLU HG3 1 1
1 280 1 1 18 GLU N N 1.369 -2.179 -0.471 1.00 . A A . 18 GLU N 1 1
1 281 1 1 18 GLU O O 2.907 -5.178 -1.090 1.00 . A A . 18 GLU O 1 1
1 282 1 1 18 GLU OE1 O 6.403 -1.102 -1.628 1.00 . A A . 18 GLU OE1 1 1
1 283 1 1 18 GLU OE2 O 5.575 0.877 -2.103 1.00 . A A . 18 GLU OE2 1 1
1 284 1 1 19 LEU C C 1.865 -6.363 1.540 1.00 . A A . 19 LEU C 1 1
1 285 1 1 19 LEU CA C 3.083 -5.450 1.660 1.00 . A A . 19 LEU CA 1 1
1 286 1 1 19 LEU CB C 3.380 -5.166 3.133 1.00 . A A . 19 LEU CB 1 1
1 287 1 1 19 LEU CD1 C 4.983 -3.251 3.352 1.00 . A A . 19 LEU CD1 1 1
1 288 1 1 19 LEU CD2 C 5.240 -5.267 4.810 1.00 . A A . 19 LEU CD2 1 1
1 289 1 1 19 LEU CG C 4.823 -4.761 3.438 1.00 . A A . 19 LEU CG 1 1
1 290 1 1 19 LEU H H 2.774 -3.368 1.439 1.00 . A A . 19 LEU H 1 1
1 291 1 1 19 LEU HA H 3.936 -5.948 1.221 1.00 . A A . 19 LEU HA 1 1
1 292 1 1 19 LEU HB2 H 2.727 -4.369 3.461 1.00 . A A . 19 LEU HB2 1 1
1 293 1 1 19 LEU HB3 H 3.150 -6.053 3.702 1.00 . A A . 19 LEU HB3 1 1
1 294 1 1 19 LEU HD11 H 4.220 -2.775 3.948 1.00 . A A . 19 LEU HD11 1 1
1 295 1 1 19 LEU HD12 H 4.887 -2.937 2.323 1.00 . A A . 19 LEU HD12 1 1
1 296 1 1 19 LEU HD13 H 5.957 -2.971 3.725 1.00 . A A . 19 LEU HD13 1 1
1 297 1 1 19 LEU HD21 H 4.370 -5.334 5.448 1.00 . A A . 19 LEU HD21 1 1
1 298 1 1 19 LEU HD22 H 5.954 -4.584 5.245 1.00 . A A . 19 LEU HD22 1 1
1 299 1 1 19 LEU HD23 H 5.691 -6.244 4.712 1.00 . A A . 19 LEU HD23 1 1
1 300 1 1 19 LEU HG H 5.476 -5.208 2.701 1.00 . A A . 19 LEU HG 1 1
1 301 1 1 19 LEU N N 2.871 -4.203 0.935 1.00 . A A . 19 LEU N 1 1
1 302 1 1 19 LEU O O 1.952 -7.566 1.790 1.00 . A A . 19 LEU O 1 1
1 303 1 1 20 LEU C C -0.530 -7.295 -0.328 1.00 . A A . 20 LEU C 1 1
1 304 1 1 20 LEU CA C -0.504 -6.551 1.005 1.00 . A A . 20 LEU CA 1 1
1 305 1 1 20 LEU CB C -1.719 -5.625 1.111 1.00 . A A . 20 LEU CB 1 1
1 306 1 1 20 LEU CD1 C -2.959 -3.924 2.474 1.00 . A A . 20 LEU CD1 1 1
1 307 1 1 20 LEU CD2 C -2.657 -6.246 3.351 1.00 . A A . 20 LEU CD2 1 1
1 308 1 1 20 LEU CG C -2.034 -5.130 2.523 1.00 . A A . 20 LEU CG 1 1
1 309 1 1 20 LEU H H 0.717 -4.824 0.971 1.00 . A A . 20 LEU H 1 1
1 310 1 1 20 LEU HA H -0.545 -7.274 1.807 1.00 . A A . 20 LEU HA 1 1
1 311 1 1 20 LEU HB2 H -1.545 -4.766 0.480 1.00 . A A . 20 LEU HB2 1 1
1 312 1 1 20 LEU HB3 H -2.582 -6.156 0.737 1.00 . A A . 20 LEU HB3 1 1
1 313 1 1 20 LEU HD11 H -3.947 -4.239 2.174 1.00 . A A . 20 LEU HD11 1 1
1 314 1 1 20 LEU HD12 H -2.578 -3.209 1.759 1.00 . A A . 20 LEU HD12 1 1
1 315 1 1 20 LEU HD13 H -3.006 -3.467 3.449 1.00 . A A . 20 LEU HD13 1 1
1 316 1 1 20 LEU HD21 H -3.346 -5.822 4.065 1.00 . A A . 20 LEU HD21 1 1
1 317 1 1 20 LEU HD22 H -1.879 -6.781 3.875 1.00 . A A . 20 LEU HD22 1 1
1 318 1 1 20 LEU HD23 H -3.186 -6.925 2.699 1.00 . A A . 20 LEU HD23 1 1
1 319 1 1 20 LEU HG H -1.116 -4.829 3.006 1.00 . A A . 20 LEU HG 1 1
1 320 1 1 20 LEU N N 0.728 -5.786 1.157 1.00 . A A . 20 LEU N 1 1
1 321 1 1 20 LEU O O -1.055 -8.403 -0.418 1.00 . A A . 20 LEU O 1 1
1 322 1 1 21 HIS C C 1.425 -7.961 -2.942 1.00 . A A . 21 HIS C 1 1
1 323 1 1 21 HIS CA C 0.077 -7.292 -2.684 1.00 . A A . 21 HIS CA 1 1
1 324 1 1 21 HIS CB C -0.221 -6.246 -3.769 1.00 . A A . 21 HIS CB 1 1
1 325 1 1 21 HIS CD2 C 2.060 -5.818 -4.935 1.00 . A A . 21 HIS CD2 1 1
1 326 1 1 21 HIS CE1 C 2.288 -3.698 -4.429 1.00 . A A . 21 HIS CE1 1 1
1 327 1 1 21 HIS CG C 0.977 -5.454 -4.207 1.00 . A A . 21 HIS CG 1 1
1 328 1 1 21 HIS H H 0.443 -5.795 -1.229 1.00 . A A . 21 HIS H 1 1
1 329 1 1 21 HIS HA H -0.692 -8.049 -2.713 1.00 . A A . 21 HIS HA 1 1
1 330 1 1 21 HIS HB2 H -0.620 -6.746 -4.638 1.00 . A A . 21 HIS HB2 1 1
1 331 1 1 21 HIS HB3 H -0.958 -5.551 -3.392 1.00 . A A . 21 HIS HB3 1 1
1 332 1 1 21 HIS HD1 H 0.532 -3.566 -3.385 1.00 . A A . 21 HIS HD1 1 1
1 333 1 1 21 HIS HD2 H 2.258 -6.799 -5.343 1.00 . A A . 21 HIS HD2 1 1
1 334 1 1 21 HIS HE1 H 2.683 -2.695 -4.354 1.00 . A A . 21 HIS HE1 1 1
1 335 1 1 21 HIS HE2 H 3.664 -4.645 -5.612 1.00 . A A . 21 HIS HE2 1 1
1 336 1 1 21 HIS N N 0.040 -6.678 -1.360 1.00 . A A . 21 HIS N 1 1
1 337 1 1 21 HIS ND1 N 1.150 -4.120 -3.906 1.00 . A A . 21 HIS ND1 1 1
1 338 1 1 21 HIS NE2 N 2.858 -4.708 -5.057 1.00 . A A . 21 HIS NE2 1 1
1 339 1 1 21 HIS O O 1.489 -9.060 -3.494 1.00 . A A . 21 HIS O 1 1
1 340 1 1 22 GLY C C 4.170 -8.919 -1.725 1.00 . A A . 22 GLY C 1 1
1 341 1 1 22 GLY CA C 3.831 -7.838 -2.732 1.00 . A A . 22 GLY CA 1 1
1 342 1 1 22 GLY H H 2.389 -6.421 -2.102 1.00 . A A . 22 GLY H 1 1
1 343 1 1 22 GLY HA2 H 3.893 -8.256 -3.727 1.00 . A A . 22 GLY HA2 1 1
1 344 1 1 22 GLY HA3 H 4.552 -7.038 -2.643 1.00 . A A . 22 GLY HA3 1 1
1 345 1 1 22 GLY N N 2.500 -7.292 -2.537 1.00 . A A . 22 GLY N 1 1
1 346 1 1 22 GLY O O 4.397 -10.072 -2.094 1.00 . A A . 22 GLY O 1 1
1 347 1 1 23 ALA C C 3.256 -9.927 1.350 1.00 . A A . 23 ALA C 1 1
1 348 1 1 23 ALA CA C 4.519 -9.493 0.614 1.00 . A A . 23 ALA CA 1 1
1 349 1 1 23 ALA CB C 5.515 -8.882 1.588 1.00 . A A . 23 ALA CB 1 1
1 350 1 1 23 ALA H H 4.016 -7.613 -0.219 1.00 . A A . 23 ALA H 1 1
1 351 1 1 23 ALA HA H 4.976 -10.362 0.164 1.00 . A A . 23 ALA HA 1 1
1 352 1 1 23 ALA HB1 H 4.984 -8.311 2.335 1.00 . A A . 23 ALA HB1 1 1
1 353 1 1 23 ALA HB2 H 6.191 -8.233 1.050 1.00 . A A . 23 ALA HB2 1 1
1 354 1 1 23 ALA HB3 H 6.077 -9.668 2.069 1.00 . A A . 23 ALA HB3 1 1
1 355 1 1 23 ALA N N 4.205 -8.547 -0.450 1.00 . A A . 23 ALA N 1 1
1 356 1 1 23 ALA O O 3.268 -10.122 2.565 1.00 . A A . 23 ALA O 1 1
1 357 1 1 24 GLY C C 0.621 -11.954 1.001 1.00 . A A . 24 GLY C 1 1
1 358 1 1 24 GLY CA C 0.908 -10.480 1.201 1.00 . A A . 24 GLY CA 1 1
1 359 1 1 24 GLY H H 2.214 -9.903 -0.357 1.00 . A A . 24 GLY H 1 1
1 360 1 1 24 GLY HA2 H 0.940 -10.273 2.261 1.00 . A A . 24 GLY HA2 1 1
1 361 1 1 24 GLY HA3 H 0.108 -9.906 0.757 1.00 . A A . 24 GLY HA3 1 1
1 362 1 1 24 GLY N N 2.164 -10.073 0.606 1.00 . A A . 24 GLY N 1 1
1 363 1 1 24 GLY O O -0.527 -12.347 0.798 1.00 . A A . 24 GLY O 1 1
1 364 1 1 25 ASN C C 0.472 -14.773 1.847 1.00 . A A . 25 ASN C 1 1
1 365 1 1 25 ASN CA C 1.522 -14.214 0.890 1.00 . A A . 25 ASN CA 1 1
1 366 1 1 25 ASN CB C 2.863 -14.915 1.118 1.00 . A A . 25 ASN CB 1 1
1 367 1 1 25 ASN CG C 3.115 -16.020 0.112 1.00 . A A . 25 ASN CG 1 1
1 368 1 1 25 ASN H H 2.558 -12.399 1.231 1.00 . A A . 25 ASN H 1 1
1 369 1 1 25 ASN HA H 1.199 -14.395 -0.124 1.00 . A A . 25 ASN HA 1 1
1 370 1 1 25 ASN HB2 H 3.659 -14.190 1.033 1.00 . A A . 25 ASN HB2 1 1
1 371 1 1 25 ASN HB3 H 2.875 -15.343 2.109 1.00 . A A . 25 ASN HB3 1 1
1 372 1 1 25 ASN HD21 H 1.222 -16.611 0.251 1.00 . A A . 25 ASN HD21 1 1
1 373 1 1 25 ASN HD22 H 2.213 -17.519 -0.836 1.00 . A A . 25 ASN HD22 1 1
1 374 1 1 25 ASN N N 1.668 -12.773 1.063 1.00 . A A . 25 ASN N 1 1
1 375 1 1 25 ASN ND2 N 2.079 -16.794 -0.189 1.00 . A A . 25 ASN ND2 1 1
1 376 1 1 25 ASN O O -0.129 -15.815 1.587 1.00 . A A . 25 ASN O 1 1
1 377 1 1 25 ASN OD1 O 4.228 -16.178 -0.391 1.00 . A A . 25 ASN OD1 1 1
1 378 1 1 26 HIS C C -2.126 -14.035 3.558 1.00 . A A . 26 HIS C 1 1
1 379 1 1 26 HIS CA C -0.724 -14.492 3.949 1.00 . A A . 26 HIS CA 1 1
1 380 1 1 26 HIS CB C -0.356 -13.934 5.326 1.00 . A A . 26 HIS CB 1 1
1 381 1 1 26 HIS CD2 C 1.765 -15.270 5.990 1.00 . A A . 26 HIS CD2 1 1
1 382 1 1 26 HIS CE1 C 3.176 -13.595 6.103 1.00 . A A . 26 HIS CE1 1 1
1 383 1 1 26 HIS CG C 1.081 -14.142 5.688 1.00 . A A . 26 HIS CG 1 1
1 384 1 1 26 HIS H H 0.763 -13.244 3.105 1.00 . A A . 26 HIS H 1 1
1 385 1 1 26 HIS HA H -0.708 -15.571 3.992 1.00 . A A . 26 HIS HA 1 1
1 386 1 1 26 HIS HB2 H -0.553 -12.873 5.341 1.00 . A A . 26 HIS HB2 1 1
1 387 1 1 26 HIS HB3 H -0.963 -14.419 6.076 1.00 . A A . 26 HIS HB3 1 1
1 388 1 1 26 HIS HD1 H 1.802 -12.163 5.606 1.00 . A A . 26 HIS HD1 1 1
1 389 1 1 26 HIS HD2 H 1.364 -16.274 6.024 1.00 . A A . 26 HIS HD2 1 1
1 390 1 1 26 HIS HE1 H 4.079 -13.021 6.241 1.00 . A A . 26 HIS HE1 1 1
1 391 1 1 26 HIS HE2 H 3.814 -15.522 6.375 1.00 . A A . 26 HIS HE2 1 1
1 392 1 1 26 HIS N N 0.255 -14.069 2.955 1.00 . A A . 26 HIS N 1 1
1 393 1 1 26 HIS ND1 N 1.993 -13.110 5.769 1.00 . A A . 26 HIS ND1 1 1
1 394 1 1 26 HIS NE2 N 3.064 -14.904 6.245 1.00 . A A . 26 HIS NE2 1 1
1 395 1 1 26 HIS O O -3.112 -14.717 3.839 1.00 . A A . 26 HIS O 1 1
1 396 1 1 27 ALA C C -3.978 -13.032 1.211 1.00 . A A . 27 ALA C 1 1
1 397 1 1 27 ALA CA C -3.487 -12.335 2.475 1.00 . A A . 27 ALA CA 1 1
1 398 1 1 27 ALA CB C -3.372 -10.836 2.243 1.00 . A A . 27 ALA CB 1 1
1 399 1 1 27 ALA H H -1.384 -12.384 2.710 1.00 . A A . 27 ALA H 1 1
1 400 1 1 27 ALA HA H -4.205 -12.499 3.267 1.00 . A A . 27 ALA HA 1 1
1 401 1 1 27 ALA HB1 H -2.527 -10.450 2.794 1.00 . A A . 27 ALA HB1 1 1
1 402 1 1 27 ALA HB2 H -4.274 -10.348 2.581 1.00 . A A . 27 ALA HB2 1 1
1 403 1 1 27 ALA HB3 H -3.232 -10.644 1.189 1.00 . A A . 27 ALA HB3 1 1
1 404 1 1 27 ALA N N -2.206 -12.879 2.907 1.00 . A A . 27 ALA N 1 1
1 405 1 1 27 ALA O O -5.156 -13.369 1.093 1.00 . A A . 27 ALA O 1 1
1 406 1 1 28 ALA C C -3.904 -15.324 -0.742 1.00 . A A . 28 ALA C 1 1
1 407 1 1 28 ALA CA C -3.402 -13.906 -0.986 1.00 . A A . 28 ALA CA 1 1
1 408 1 1 28 ALA CB C -2.195 -13.924 -1.912 1.00 . A A . 28 ALA CB 1 1
1 409 1 1 28 ALA H H -2.143 -12.955 0.424 1.00 . A A . 28 ALA H 1 1
1 410 1 1 28 ALA HA H -4.184 -13.334 -1.464 1.00 . A A . 28 ALA HA 1 1
1 411 1 1 28 ALA HB1 H -2.373 -14.616 -2.722 1.00 . A A . 28 ALA HB1 1 1
1 412 1 1 28 ALA HB2 H -1.320 -14.235 -1.359 1.00 . A A . 28 ALA HB2 1 1
1 413 1 1 28 ALA HB3 H -2.033 -12.933 -2.312 1.00 . A A . 28 ALA HB3 1 1
1 414 1 1 28 ALA N N -3.065 -13.246 0.270 1.00 . A A . 28 ALA N 1 1
1 415 1 1 28 ALA O O -4.911 -15.744 -1.310 1.00 . A A . 28 ALA O 1 1
1 416 1 1 29 GLY C C -4.999 -17.518 0.953 1.00 . A A . 29 GLY C 1 1
1 417 1 1 29 GLY CA C -3.584 -17.424 0.416 1.00 . A A . 29 GLY CA 1 1
1 418 1 1 29 GLY H H -2.400 -15.671 0.535 1.00 . A A . 29 GLY H 1 1
1 419 1 1 29 GLY HA2 H -3.511 -18.017 -0.483 1.00 . A A . 29 GLY HA2 1 1
1 420 1 1 29 GLY HA3 H -2.904 -17.823 1.155 1.00 . A A . 29 GLY HA3 1 1
1 421 1 1 29 GLY N N -3.194 -16.059 0.110 1.00 . A A . 29 GLY N 1 1
1 422 1 1 29 GLY O O -5.665 -18.541 0.787 1.00 . A A . 29 GLY O 1 1
1 423 1 1 30 ILE C C -7.819 -15.936 1.125 1.00 . A A . 30 ILE C 1 1
1 424 1 1 30 ILE CA C -6.804 -16.418 2.158 1.00 . A A . 30 ILE CA 1 1
1 425 1 1 30 ILE CB C -6.878 -15.503 3.397 1.00 . A A . 30 ILE CB 1 1
1 426 1 1 30 ILE CD1 C -5.414 -14.715 5.323 1.00 . A A . 30 ILE CD1 1 1
1 427 1 1 30 ILE CG1 C -5.755 -15.846 4.378 1.00 . A A . 30 ILE CG1 1 1
1 428 1 1 30 ILE CG2 C -8.235 -15.630 4.071 1.00 . A A . 30 ILE CG2 1 1
1 429 1 1 30 ILE H H -4.882 -15.666 1.696 1.00 . A A . 30 ILE H 1 1
1 430 1 1 30 ILE HA H -7.064 -17.421 2.461 1.00 . A A . 30 ILE HA 1 1
1 431 1 1 30 ILE HB H -6.759 -14.481 3.068 1.00 . A A . 30 ILE HB 1 1
1 432 1 1 30 ILE HD11 H -5.189 -13.825 4.755 1.00 . A A . 30 ILE HD11 1 1
1 433 1 1 30 ILE HD12 H -4.556 -14.989 5.917 1.00 . A A . 30 ILE HD12 1 1
1 434 1 1 30 ILE HD13 H -6.256 -14.522 5.973 1.00 . A A . 30 ILE HD13 1 1
1 435 1 1 30 ILE HG12 H -6.053 -16.696 4.974 1.00 . A A . 30 ILE HG12 1 1
1 436 1 1 30 ILE HG13 H -4.863 -16.095 3.822 1.00 . A A . 30 ILE HG13 1 1
1 437 1 1 30 ILE HG21 H -8.137 -15.399 5.121 1.00 . A A . 30 ILE HG21 1 1
1 438 1 1 30 ILE HG22 H -8.601 -16.640 3.956 1.00 . A A . 30 ILE HG22 1 1
1 439 1 1 30 ILE HG23 H -8.930 -14.942 3.614 1.00 . A A . 30 ILE HG23 1 1
1 440 1 1 30 ILE N N -5.460 -16.451 1.596 1.00 . A A . 30 ILE N 1 1
1 441 1 1 30 ILE O O -8.985 -16.328 1.156 1.00 . A A . 30 ILE O 1 1
1 442 1 1 31 LEU C C -8.470 -15.582 -1.937 1.00 . A A . 31 LEU C 1 1
1 443 1 1 31 LEU CA C -8.233 -14.553 -0.834 1.00 . A A . 31 LEU CA 1 1
1 444 1 1 31 LEU CB C -7.625 -13.279 -1.428 1.00 . A A . 31 LEU CB 1 1
1 445 1 1 31 LEU CD1 C -8.290 -11.141 -2.557 1.00 . A A . 31 LEU CD1 1 1
1 446 1 1 31 LEU CD2 C -7.954 -13.214 -3.911 1.00 . A A . 31 LEU CD2 1 1
1 447 1 1 31 LEU CG C -8.422 -12.655 -2.576 1.00 . A A . 31 LEU CG 1 1
1 448 1 1 31 LEU H H -6.426 -14.810 0.236 1.00 . A A . 31 LEU H 1 1
1 449 1 1 31 LEU HA H -9.181 -14.309 -0.380 1.00 . A A . 31 LEU HA 1 1
1 450 1 1 31 LEU HB2 H -7.537 -12.546 -0.638 1.00 . A A . 31 LEU HB2 1 1
1 451 1 1 31 LEU HB3 H -6.636 -13.513 -1.791 1.00 . A A . 31 LEU HB3 1 1
1 452 1 1 31 LEU HD11 H -8.028 -10.815 -1.561 1.00 . A A . 31 LEU HD11 1 1
1 453 1 1 31 LEU HD12 H -9.230 -10.693 -2.846 1.00 . A A . 31 LEU HD12 1 1
1 454 1 1 31 LEU HD13 H -7.519 -10.837 -3.249 1.00 . A A . 31 LEU HD13 1 1
1 455 1 1 31 LEU HD21 H -7.241 -12.535 -4.356 1.00 . A A . 31 LEU HD21 1 1
1 456 1 1 31 LEU HD22 H -8.804 -13.328 -4.571 1.00 . A A . 31 LEU HD22 1 1
1 457 1 1 31 LEU HD23 H -7.490 -14.176 -3.756 1.00 . A A . 31 LEU HD23 1 1
1 458 1 1 31 LEU HG H -9.467 -12.901 -2.456 1.00 . A A . 31 LEU HG 1 1
1 459 1 1 31 LEU N N -7.366 -15.085 0.211 1.00 . A A . 31 LEU N 1 1
1 460 1 1 31 LEU O O -9.270 -15.359 -2.844 1.00 . A A . 31 LEU O 1 1
1 461 1 1 32 THR C C -8.842 -18.870 -2.349 1.00 . A A . 32 THR C 1 1
1 462 1 1 32 THR CA C -7.910 -17.770 -2.848 1.00 . A A . 32 THR CA 1 1
1 463 1 1 32 THR CB C -6.539 -18.362 -3.186 1.00 . A A . 32 THR CB 1 1
1 464 1 1 32 THR CG2 C -6.581 -19.356 -4.326 1.00 . A A . 32 THR CG2 1 1
1 465 1 1 32 THR H H -7.148 -16.836 -1.110 1.00 . A A . 32 THR H 1 1
1 466 1 1 32 THR HA H -8.332 -17.334 -3.741 1.00 . A A . 32 THR HA 1 1
1 467 1 1 32 THR HB H -6.156 -18.874 -2.314 1.00 . A A . 32 THR HB 1 1
1 468 1 1 32 THR HG1 H -5.881 -16.959 -4.383 1.00 . A A . 32 THR HG1 1 1
1 469 1 1 32 THR HG21 H -7.324 -19.048 -5.046 1.00 . A A . 32 THR HG21 1 1
1 470 1 1 32 THR HG22 H -6.834 -20.334 -3.942 1.00 . A A . 32 THR HG22 1 1
1 471 1 1 32 THR HG23 H -5.612 -19.397 -4.804 1.00 . A A . 32 THR HG23 1 1
1 472 1 1 32 THR N N -7.771 -16.711 -1.856 1.00 . A A . 32 THR N 1 1
1 473 1 1 32 THR O O -8.712 -20.030 -2.738 1.00 . A A . 32 THR O 1 1
1 474 1 1 32 THR OG1 O -5.625 -17.340 -3.541 1.00 . A A . 32 THR OG1 1 1
1 475 1 1 33 LEU C C -10.018 -20.571 -0.187 1.00 . A A . 33 LEU C 1 1
1 476 1 1 33 LEU CA C -10.736 -19.453 -0.936 1.00 . A A . 33 LEU CA 1 1
1 477 1 1 33 LEU CB C -11.601 -20.043 -2.052 1.00 . A A . 33 LEU CB 1 1
1 478 1 1 33 LEU CD1 C -12.991 -19.715 -4.113 1.00 . A A . 33 LEU CD1 1 1
1 479 1 1 33 LEU CD2 C -12.773 -17.862 -2.446 1.00 . A A . 33 LEU CD2 1 1
1 480 1 1 33 LEU CG C -12.071 -19.040 -3.107 1.00 . A A . 33 LEU CG 1 1
1 481 1 1 33 LEU H H -9.837 -17.556 -1.214 1.00 . A A . 33 LEU H 1 1
1 482 1 1 33 LEU HA H -11.373 -18.923 -0.242 1.00 . A A . 33 LEU HA 1 1
1 483 1 1 33 LEU HB2 H -11.031 -20.815 -2.548 1.00 . A A . 33 LEU HB2 1 1
1 484 1 1 33 LEU HB3 H -12.473 -20.495 -1.604 1.00 . A A . 33 LEU HB3 1 1
1 485 1 1 33 LEU HD11 H -12.516 -20.606 -4.494 1.00 . A A . 33 LEU HD11 1 1
1 486 1 1 33 LEU HD12 H -13.192 -19.036 -4.928 1.00 . A A . 33 LEU HD12 1 1
1 487 1 1 33 LEU HD13 H -13.920 -19.979 -3.629 1.00 . A A . 33 LEU HD13 1 1
1 488 1 1 33 LEU HD21 H -12.052 -17.087 -2.232 1.00 . A A . 33 LEU HD21 1 1
1 489 1 1 33 LEU HD22 H -13.234 -18.189 -1.527 1.00 . A A . 33 LEU HD22 1 1
1 490 1 1 33 LEU HD23 H -13.531 -17.476 -3.112 1.00 . A A . 33 LEU HD23 1 1
1 491 1 1 33 LEU HG H -11.213 -18.661 -3.642 1.00 . A A . 33 LEU HG 1 1
1 492 1 1 33 LEU N N -9.783 -18.497 -1.487 1.00 . A A . 33 LEU N 1 1
1 493 1 1 33 LEU O O -10.708 -21.452 0.366 1.00 . A A . 33 LEU O 1 1
1 494 1 1 33 LEU OXT O -8.769 -20.557 -0.163 1.00 . A A . 33 LEU OXT 1 1
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