NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
381603 |
1j5l   |
4754 | cing | 4-filtered-FRED | STAR | entry | full | 191 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1j5l
# This FRED archive file contains, for PDB entry <1j5l>:
#
# - 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_1j5l
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1j5l
_Assembly.Number_of_components 4
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all free"
_Assembly.Molecular_mass 3457.86
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 $METALLOTHIONEIN_1 A . 1 1
2 . 2 $CADMIUM_ION B . 1 1
3 . 2 $CADMIUM_ION C . 1 1
4 . 2 $CADMIUM_ION D . 1 1
stop_
loop_
_PDBX_nonpoly_scheme.Entity_assembly_ID
_PDBX_nonpoly_scheme.Entity_ID
_PDBX_nonpoly_scheme.Mon_ID
_PDBX_nonpoly_scheme.Comp_index_ID
_PDBX_nonpoly_scheme.Comp_ID
_PDBX_nonpoly_scheme.Entry_ID
_PDBX_nonpoly_scheme.Assembly_ID
2 2 CD 1 CD 1 1
3 2 CD 1 CD 1 1
4 2 CD 1 CD 1 1
stop_
save_
save_METALLOTHIONEIN_1
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "METALLOTHIONEIN 1"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code PCEKCTSGCKCPSKDECAKTCSKPCSCCPT
_Entity.Number_of_monomers 30
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 PRO . 1 1
2 CYS . 1 1
3 GLU . 1 1
4 LYS . 1 1
5 CYS . 1 1
6 THR . 1 1
7 SER . 1 1
8 GLY . 1 1
9 CYS . 1 1
10 LYS . 1 1
11 CYS . 1 1
12 PRO . 1 1
13 SER . 1 1
14 LYS . 1 1
15 ASP . 1 1
16 GLU . 1 1
17 CYS . 1 1
18 ALA . 1 1
19 LYS . 1 1
20 THR . 1 1
21 CYS . 1 1
22 SER . 1 1
23 LYS . 1 1
24 PRO . 1 1
25 CYS . 1 1
26 SER . 1 1
27 CYS . 1 1
28 CYS . 1 1
29 PRO . 1 1
30 THR . 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
PRO 1 1 1 1
CYS 2 2 1 1
GLU 3 3 1 1
LYS 4 4 1 1
CYS 5 5 1 1
THR 6 6 1 1
SER 7 7 1 1
GLY 8 8 1 1
CYS 9 9 1 1
LYS 10 10 1 1
CYS 11 11 1 1
PRO 12 12 1 1
SER 13 13 1 1
LYS 14 14 1 1
ASP 15 15 1 1
GLU 16 16 1 1
CYS 17 17 1 1
ALA 18 18 1 1
LYS 19 19 1 1
THR 20 20 1 1
CYS 21 21 1 1
SER 22 22 1 1
LYS 23 23 1 1
PRO 24 24 1 1
CYS 25 25 1 1
SER 26 26 1 1
CYS 27 27 1 1
CYS 28 28 1 1
PRO 29 29 1 1
THR 30 30 1 1
stop_
save_
save_CADMIUM_ION
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 2
_Entity.Name "CADMIUM ION"
_Entity.Type non-polymer
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 CD $CD 1 2
stop_
save_
save_CD
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID CD
_Chem_comp.Type non-polymer
save_
save_CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
16 1 . . . 1 1
17 1 . . . 1 1
18 1 . . . 1 1
19 1 . . . 1 1
20 1 . . . 1 1
21 1 . . . 1 1
22 1 . . . 1 1
23 1 . . . 1 1
24 1 . . . 1 1
25 1 . . . 1 1
26 1 . . . 1 1
27 1 . . . 1 1
28 1 . . . 1 1
29 1 . . . 1 1
30 1 . . . 1 1
31 1 . . . 1 1
32 1 . . . 1 1
33 1 . . . 1 1
34 1 . . . 1 1
35 1 . . . 1 1
36 1 . . . 1 1
37 1 . . . 1 1
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
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 1 PRO HA . 2 . HA 1 1
1 1 2 1 1 25 CYS HB3 . 26 . HB2 1 1
2 1 1 1 1 1 PRO QB . 2 . HB* 1 1
2 1 2 1 1 2 CYS H . 3 . HN 1 1
3 1 1 1 1 1 PRO QB . 2 . HB* 1 1
3 1 2 1 1 5 CYS HB2 . 6 . HB1 1 1
4 1 1 1 1 1 PRO QG . 2 . HG* 1 1
4 1 2 1 1 6 THR HA . 7 . HA 1 1
5 1 1 1 1 2 CYS H . 3 . HN 1 1
5 1 2 1 1 2 CYS HA . 3 . HA 1 1
6 1 1 1 1 2 CYS H . 3 . HN 1 1
6 1 2 1 1 2 CYS HB2 . 3 . HB1 1 1
7 1 1 1 1 2 CYS H . 3 . HN 1 1
7 1 2 1 1 2 CYS HB3 . 3 . HB2 1 1
8 1 1 1 1 2 CYS H . 3 . HN 1 1
8 1 2 1 1 5 CYS H . 6 . HN 1 1
9 1 1 1 1 2 CYS H . 3 . HN 1 1
9 1 2 1 1 5 CYS HB2 . 6 . HB1 1 1
10 1 1 1 1 2 CYS H . 3 . HN 1 1
10 1 2 1 1 25 CYS HB3 . 26 . HB2 1 1
11 1 1 1 1 2 CYS HA . 3 . HA 1 1
11 1 2 1 1 2 CYS HB2 . 3 . HB1 1 1
12 1 1 1 1 2 CYS HA . 3 . HA 1 1
12 1 2 1 1 2 CYS HB3 . 3 . HB2 1 1
13 1 1 1 1 2 CYS HA . 3 . HA 1 1
13 1 2 1 1 3 GLU H . 4 . HN 1 1
14 1 1 1 1 2 CYS HB2 . 3 . HB1 1 1
14 1 2 1 1 3 GLU H . 4 . HN 1 1
15 1 1 1 1 2 CYS HB2 . 3 . HB1 1 1
15 1 2 1 1 3 GLU HB3 . 4 . HB1 1 1
16 1 1 1 1 2 CYS HB3 . 3 . HB2 1 1
16 1 2 1 1 3 GLU H . 4 . HN 1 1
17 1 1 1 1 3 GLU H . 4 . HN 1 1
17 1 2 1 1 3 GLU HB2 . 4 . HB2 1 1
18 1 1 1 1 3 GLU H . 4 . HN 1 1
18 1 2 1 1 4 LYS H . 5 . HN 1 1
19 1 1 1 1 3 GLU HA . 4 . HA 1 1
19 1 2 1 1 3 GLU HB2 . 4 . HB2 1 1
20 1 1 1 1 3 GLU HA . 4 . HA 1 1
20 1 2 1 1 4 LYS H . 5 . HN 1 1
21 1 1 1 1 3 GLU HA . 4 . HA 1 1
21 1 2 1 1 6 THR H . 7 . HN 1 1
22 1 1 1 1 3 GLU HB2 . 4 . HB2 1 1
22 1 2 1 1 4 LYS H . 5 . HN 1 1
23 1 1 1 1 3 GLU HB3 . 4 . HB1 1 1
23 1 2 1 1 4 LYS HB2 . 5 . HB2 1 1
24 1 1 1 1 4 LYS H . 5 . HN 1 1
24 1 2 1 1 4 LYS HB3 . 5 . HB1 1 1
25 1 1 1 1 4 LYS H . 5 . HN 1 1
25 1 2 1 1 4 LYS QD . 5 . HD* 1 1
26 1 1 1 1 4 LYS H . 5 . HN 1 1
26 1 2 1 1 4 LYS QG . 5 . HG* 1 1
27 1 1 1 1 4 LYS H . 5 . HN 1 1
27 1 2 1 1 5 CYS H . 6 . HN 1 1
28 1 1 1 1 4 LYS HA . 5 . HA 1 1
28 1 2 1 1 4 LYS HB3 . 5 . HB1 1 1
29 1 1 1 1 4 LYS HA . 5 . HA 1 1
29 1 2 1 1 5 CYS H . 6 . HN 1 1
30 1 1 1 1 4 LYS HB2 . 5 . HB2 1 1
30 1 2 1 1 5 CYS HA . 6 . HA 1 1
31 1 1 1 1 4 LYS HB3 . 5 . HB1 1 1
31 1 2 1 1 5 CYS H . 6 . HN 1 1
32 1 1 1 1 4 LYS HB3 . 5 . HB1 1 1
32 1 2 1 1 5 CYS HA . 6 . HA 1 1
33 1 1 1 1 4 LYS HB3 . 5 . HB1 1 1
33 1 2 1 1 20 THR MG . 21 . HG2* 1 1
34 1 1 1 1 5 CYS H . 6 . HN 1 1
34 1 2 1 1 5 CYS HB2 . 6 . HB1 1 1
35 1 1 1 1 5 CYS H . 6 . HN 1 1
35 1 2 1 1 6 THR H . 7 . HN 1 1
36 1 1 1 1 5 CYS HA . 6 . HA 1 1
36 1 2 1 1 5 CYS HB3 . 6 . HB2 1 1
37 1 1 1 1 5 CYS HA . 6 . HA 1 1
37 1 2 1 1 6 THR H . 7 . HN 1 1
38 1 1 1 1 5 CYS HA . 6 . HA 1 1
38 1 2 1 1 7 SER HB3 . 8 . HB2 1 1
39 1 1 1 1 5 CYS HB2 . 6 . HB1 1 1
39 1 2 1 1 6 THR H . 7 . HN 1 1
40 1 1 1 1 6 THR H . 7 . HN 1 1
40 1 2 1 1 6 THR HB . 7 . HB 1 1
41 1 1 1 1 6 THR H . 7 . HN 1 1
41 1 2 1 1 6 THR MG . 7 . HG2* 1 1
42 1 1 1 1 7 SER HA . 8 . HA 1 1
42 1 2 1 1 8 GLY H . 9 . HN 1 1
43 1 1 1 1 8 GLY H . 9 . HN 1 1
43 1 2 1 1 9 CYS HA . 10 . HA 1 1
44 1 1 1 1 8 GLY HA2 . 9 . HA2 1 1
44 1 2 1 1 9 CYS H . 10 . HN 1 1
45 1 1 1 1 8 GLY HA3 . 9 . HA1 1 1
45 1 2 1 1 9 CYS H . 10 . HN 1 1
46 1 1 1 1 9 CYS H . 10 . HN 1 1
46 1 2 1 1 9 CYS QB . 10 . HB* 1 1
47 1 1 1 1 9 CYS HA . 10 . HA 1 1
47 1 2 1 1 10 LYS H . 11 . HN 1 1
48 1 1 1 1 9 CYS HA . 10 . HA 1 1
48 1 2 1 1 11 CYS H . 12 . HN 1 1
49 1 1 1 1 9 CYS QB . 10 . HB* 1 1
49 1 2 1 1 10 LYS H . 11 . HN 1 1
50 1 1 1 1 10 LYS H . 11 . HN 1 1
50 1 2 1 1 10 LYS HB2 . 11 . HB2 1 1
51 1 1 1 1 10 LYS H . 11 . HN 1 1
51 1 2 1 1 11 CYS H . 12 . HN 1 1
52 1 1 1 1 10 LYS HA . 11 . HA 1 1
52 1 2 1 1 10 LYS HB3 . 11 . HB1 1 1
53 1 1 1 1 10 LYS HA . 11 . HA 1 1
53 1 2 1 1 10 LYS QD . 11 . HD* 1 1
54 1 1 1 1 10 LYS HA . 11 . HA 1 1
54 1 2 1 1 10 LYS QG . 11 . HG* 1 1
55 1 1 1 1 11 CYS H . 12 . HN 1 1
55 1 2 1 1 11 CYS HB2 . 12 . HB1 1 1
56 1 1 1 1 11 CYS HA . 12 . HA 1 1
56 1 2 1 1 11 CYS HB3 . 12 . HB2 1 1
57 1 1 1 1 11 CYS HA . 12 . HA 1 1
57 1 2 1 1 12 PRO HD3 . 13 . HD1 1 1
58 1 1 1 1 11 CYS HA . 12 . HA 1 1
58 1 2 1 1 14 LYS HA . 15 . HA 1 1
59 1 1 1 1 11 CYS HB2 . 12 . HB1 1 1
59 1 2 1 1 29 PRO HD3 . 30 . HD1 1 1
60 1 1 1 1 11 CYS HB3 . 12 . HB2 1 1
60 1 2 1 1 13 SER H . 14 . HN 1 1
61 1 1 1 1 11 CYS HB3 . 12 . HB2 1 1
61 1 2 1 1 17 CYS H . 18 . HN 1 1
62 1 1 1 1 11 CYS HB3 . 12 . HB2 1 1
62 1 2 1 1 17 CYS HA . 18 . HA 1 1
63 1 1 1 1 11 CYS HB3 . 12 . HB2 1 1
63 1 2 1 1 17 CYS HB2 . 18 . HB1 1 1
64 1 1 1 1 11 CYS HB3 . 12 . HB2 1 1
64 1 2 1 1 17 CYS HB3 . 18 . HB2 1 1
65 1 1 1 1 11 CYS HB3 . 12 . HB2 1 1
65 1 2 1 1 28 CYS HB3 . 29 . HB1 1 1
66 1 1 1 1 11 CYS HB3 . 12 . HB2 1 1
66 1 2 1 1 29 PRO HD3 . 30 . HD1 1 1
67 1 1 1 1 12 PRO HA . 13 . HA 1 1
67 1 2 1 1 13 SER H . 14 . HN 1 1
68 1 1 1 1 12 PRO QB . 13 . HB* 1 1
68 1 2 1 1 13 SER H . 14 . HN 1 1
69 1 1 1 1 12 PRO QG . 13 . HG* 1 1
69 1 2 1 1 17 CYS HB2 . 18 . HB1 1 1
70 1 1 1 1 12 PRO HG2 . 13 . HG2 1 1
70 1 2 1 1 13 SER H . 14 . HN 1 1
71 1 1 1 1 12 PRO HG3 . 13 . HG1 1 1
71 1 2 1 1 13 SER H . 14 . HN 1 1
72 1 1 1 1 13 SER H . 14 . HN 1 1
72 1 2 1 1 14 LYS HA . 15 . HA 1 1
73 1 1 1 1 13 SER H . 14 . HN 1 1
73 1 2 1 1 16 GLU H . 17 . HN 1 1
74 1 1 1 1 13 SER H . 14 . HN 1 1
74 1 2 1 1 16 GLU HG2 . 17 . HG2 1 1
75 1 1 1 1 13 SER H . 14 . HN 1 1
75 1 2 1 1 17 CYS H . 18 . HN 1 1
76 1 1 1 1 13 SER HA . 14 . HA 1 1
76 1 2 1 1 13 SER HB2 . 14 . HB2 1 1
77 1 1 1 1 13 SER HA . 14 . HA 1 1
77 1 2 1 1 14 LYS HA . 15 . HA 1 1
78 1 1 1 1 13 SER HA . 14 . HA 1 1
78 1 2 1 1 29 PRO HB2 . 30 . HB1 1 1
79 1 1 1 1 13 SER HA . 14 . HA 1 1
79 1 2 1 1 29 PRO HG2 . 30 . HG1 1 1
80 1 1 1 1 13 SER HA . 14 . HA 1 1
80 1 2 1 1 29 PRO HG3 . 30 . HG2 1 1
81 1 1 1 1 13 SER HB3 . 14 . HB1 1 1
81 1 2 1 1 15 ASP H . 16 . HN 1 1
82 1 1 1 1 14 LYS H . 15 . HN 1 1
82 1 2 1 1 14 LYS QB . 15 . HB* 1 1
83 1 1 1 1 15 ASP H . 16 . HN 1 1
83 1 2 1 1 15 ASP QB . 16 . HB* 1 1
84 1 1 1 1 15 ASP H . 16 . HN 1 1
84 1 2 1 1 16 GLU H . 17 . HN 1 1
85 1 1 1 1 15 ASP H . 16 . HN 1 1
85 1 2 1 1 16 GLU QB . 17 . HB* 1 1
86 1 1 1 1 15 ASP HA . 16 . HA 1 1
86 1 2 1 1 16 GLU H . 17 . HN 1 1
87 1 1 1 1 15 ASP HA . 16 . HA 1 1
87 1 2 1 1 17 CYS H . 18 . HN 1 1
88 1 1 1 1 15 ASP HA . 16 . HA 1 1
88 1 2 1 1 18 ALA MB . 19 . HB* 1 1
89 1 1 1 1 15 ASP QB . 16 . HB* 1 1
89 1 2 1 1 16 GLU H . 17 . HN 1 1
90 1 1 1 1 16 GLU H . 17 . HN 1 1
90 1 2 1 1 16 GLU QB . 17 . HB* 1 1
91 1 1 1 1 16 GLU H . 17 . HN 1 1
91 1 2 1 1 16 GLU HG2 . 17 . HG2 1 1
92 1 1 1 1 16 GLU H . 17 . HN 1 1
92 1 2 1 1 17 CYS H . 18 . HN 1 1
93 1 1 1 1 16 GLU HA . 17 . HA 1 1
93 1 2 1 1 16 GLU HG2 . 17 . HG2 1 1
94 1 1 1 1 16 GLU HA . 17 . HA 1 1
94 1 2 1 1 17 CYS H . 18 . HN 1 1
95 1 1 1 1 16 GLU HA . 17 . HA 1 1
95 1 2 1 1 17 CYS HB2 . 18 . HB1 1 1
96 1 1 1 1 16 GLU HA . 17 . HA 1 1
96 1 2 1 1 17 CYS HB3 . 18 . HB2 1 1
97 1 1 1 1 16 GLU HA . 17 . HA 1 1
97 1 2 1 1 19 LYS H . 20 . HN 1 1
98 1 1 1 1 16 GLU HA . 17 . HA 1 1
98 1 2 1 1 19 LYS HD3 . 20 . HD1 1 1
99 1 1 1 1 16 GLU QB . 17 . HB* 1 1
99 1 2 1 1 17 CYS H . 18 . HN 1 1
100 1 1 1 1 16 GLU HG2 . 17 . HG2 1 1
100 1 2 1 1 17 CYS H . 18 . HN 1 1
101 1 1 1 1 17 CYS H . 18 . HN 1 1
101 1 2 1 1 17 CYS HB2 . 18 . HB1 1 1
102 1 1 1 1 17 CYS H . 18 . HN 1 1
102 1 2 1 1 17 CYS HB3 . 18 . HB2 1 1
103 1 1 1 1 17 CYS H . 18 . HN 1 1
103 1 2 1 1 18 ALA H . 19 . HN 1 1
104 1 1 1 1 17 CYS H . 18 . HN 1 1
104 1 2 1 1 18 ALA MB . 19 . HB* 1 1
105 1 1 1 1 17 CYS HA . 18 . HA 1 1
105 1 2 1 1 17 CYS HB2 . 18 . HB1 1 1
106 1 1 1 1 17 CYS HA . 18 . HA 1 1
106 1 2 1 1 18 ALA H . 19 . HN 1 1
107 1 1 1 1 17 CYS HA . 18 . HA 1 1
107 1 2 1 1 19 LYS HB2 . 20 . HB1 1 1
108 1 1 1 1 17 CYS HA . 18 . HA 1 1
108 1 2 1 1 20 THR H . 21 . HN 1 1
109 1 1 1 1 17 CYS HA . 18 . HA 1 1
109 1 2 1 1 20 THR HB . 21 . HB 1 1
110 1 1 1 1 17 CYS HA . 18 . HA 1 1
110 1 2 1 1 20 THR MG . 21 . HG2* 1 1
111 1 1 1 1 17 CYS HA . 18 . HA 1 1
111 1 2 1 1 21 CYS H . 22 . HN 1 1
112 1 1 1 1 17 CYS HB2 . 18 . HB1 1 1
112 1 2 1 1 18 ALA H . 19 . HN 1 1
113 1 1 1 1 17 CYS HB3 . 18 . HB2 1 1
113 1 2 1 1 18 ALA H . 19 . HN 1 1
114 1 1 1 1 18 ALA H . 19 . HN 1 1
114 1 2 1 1 19 LYS H . 20 . HN 1 1
115 1 1 1 1 18 ALA HA . 19 . HA 1 1
115 1 2 1 1 19 LYS H . 20 . HN 1 1
116 1 1 1 1 19 LYS H . 20 . HN 1 1
116 1 2 1 1 19 LYS HB3 . 20 . HB2 1 1
117 1 1 1 1 19 LYS H . 20 . HN 1 1
117 1 2 1 1 19 LYS HG3 . 20 . HG1 1 1
118 1 1 1 1 19 LYS H . 20 . HN 1 1
118 1 2 1 1 20 THR H . 21 . HN 1 1
119 1 1 1 1 19 LYS H . 20 . HN 1 1
119 1 2 1 1 21 CYS H . 22 . HN 1 1
120 1 1 1 1 19 LYS HA . 20 . HA 1 1
120 1 2 1 1 20 THR H . 21 . HN 1 1
121 1 1 1 1 19 LYS HB2 . 20 . HB1 1 1
121 1 2 1 1 20 THR HB . 21 . HB 1 1
122 1 1 1 1 19 LYS HB3 . 20 . HB2 1 1
122 1 2 1 1 20 THR H . 21 . HN 1 1
123 1 1 1 1 20 THR H . 21 . HN 1 1
123 1 2 1 1 20 THR HB . 21 . HB 1 1
124 1 1 1 1 20 THR H . 21 . HN 1 1
124 1 2 1 1 21 CYS H . 22 . HN 1 1
125 1 1 1 1 20 THR HB . 21 . HB 1 1
125 1 2 1 1 21 CYS H . 22 . HN 1 1
126 1 1 1 1 20 THR MG . 21 . HG2* 1 1
126 1 2 1 1 21 CYS H . 22 . HN 1 1
127 1 1 1 1 20 THR MG . 21 . HG2* 1 1
127 1 2 1 1 21 CYS HA . 22 . HA 1 1
128 1 1 1 1 21 CYS H . 22 . HN 1 1
128 1 2 1 1 21 CYS HB3 . 22 . HB1 1 1
129 1 1 1 1 21 CYS HA . 22 . HA 1 1
129 1 2 1 1 21 CYS HB2 . 22 . HB2 1 1
130 1 1 1 1 21 CYS HA . 22 . HA 1 1
130 1 2 1 1 22 SER HA . 23 . HA 1 1
131 1 1 1 1 21 CYS HA . 22 . HA 1 1
131 1 2 1 1 25 CYS HB2 . 26 . HB1 1 1
132 1 1 1 1 21 CYS HB2 . 22 . HB2 1 1
132 1 2 1 1 23 LYS H . 24 . HN 1 1
133 1 1 1 1 21 CYS HB3 . 22 . HB1 1 1
133 1 2 1 1 23 LYS H . 24 . HN 1 1
134 1 1 1 1 21 CYS HB3 . 22 . HB1 1 1
134 1 2 1 1 23 LYS HB2 . 24 . HB1 1 1
135 1 1 1 1 21 CYS HB3 . 22 . HB1 1 1
135 1 2 1 1 24 PRO HA . 25 . HA 1 1
136 1 1 1 1 22 SER HA . 23 . HA 1 1
136 1 2 1 1 23 LYS HB2 . 24 . HB1 1 1
137 1 1 1 1 22 SER HA . 23 . HA 1 1
137 1 2 1 1 23 LYS QB . 24 . HB* 1 1
138 1 1 1 1 22 SER HB3 . 23 . HB2 1 1
138 1 2 1 1 23 LYS HD3 . 24 . HD2 1 1
139 1 1 1 1 23 LYS H . 24 . HN 1 1
139 1 2 1 1 23 LYS HG3 . 24 . HG1 1 1
140 1 1 1 1 23 LYS H . 24 . HN 1 1
140 1 2 1 1 25 CYS HB2 . 26 . HB1 1 1
141 1 1 1 1 23 LYS HA . 24 . HA 1 1
141 1 2 1 1 23 LYS HB2 . 24 . HB1 1 1
142 1 1 1 1 23 LYS HA . 24 . HA 1 1
142 1 2 1 1 23 LYS HG2 . 24 . HG2 1 1
143 1 1 1 1 23 LYS HA . 24 . HA 1 1
143 1 2 1 1 24 PRO HA . 25 . HA 1 1
144 1 1 1 1 23 LYS HA . 24 . HA 1 1
144 1 2 1 1 24 PRO HD2 . 25 . HD2 1 1
145 1 1 1 1 23 LYS HA . 24 . HA 1 1
145 1 2 1 1 24 PRO HD3 . 25 . HD1 1 1
146 1 1 1 1 23 LYS HA . 24 . HA 1 1
146 1 2 1 1 24 PRO QG . 25 . HG* 1 1
147 1 1 1 1 23 LYS HB2 . 24 . HB1 1 1
147 1 2 1 1 25 CYS H . 26 . HN 1 1
148 1 1 1 1 23 LYS QD . 24 . HD* 1 1
148 1 2 1 1 23 LYS HG3 . 24 . HG1 1 1
149 1 1 1 1 24 PRO HA . 25 . HA 1 1
149 1 2 1 1 25 CYS H . 26 . HN 1 1
150 1 1 1 1 24 PRO HB2 . 25 . HB2 1 1
150 1 2 1 1 25 CYS H . 26 . HN 1 1
151 1 1 1 1 24 PRO HB3 . 25 . HB1 1 1
151 1 2 1 1 25 CYS H . 26 . HN 1 1
152 1 1 1 1 25 CYS H . 26 . HN 1 1
152 1 2 1 1 25 CYS HB2 . 26 . HB1 1 1
153 1 1 1 1 25 CYS H . 26 . HN 1 1
153 1 2 1 1 25 CYS HB3 . 26 . HB2 1 1
154 1 1 1 1 25 CYS HB2 . 26 . HB1 1 1
154 1 2 1 1 27 CYS H . 28 . HN 1 1
155 1 1 1 1 25 CYS HB2 . 26 . HB1 1 1
155 1 2 1 1 28 CYS H . 29 . HN 1 1
156 1 1 1 1 25 CYS HB3 . 26 . HB2 1 1
156 1 2 1 1 27 CYS H . 28 . HN 1 1
157 1 1 1 1 26 SER H . 27 . HN 1 1
157 1 2 1 1 28 CYS H . 29 . HN 1 1
158 1 1 1 1 26 SER HB3 . 27 . HB1 1 1
158 1 2 1 1 27 CYS H . 28 . HN 1 1
159 1 1 1 1 27 CYS H . 28 . HN 1 1
159 1 2 1 1 28 CYS H . 29 . HN 1 1
160 1 1 1 1 27 CYS HA . 28 . HA 1 1
160 1 2 1 1 27 CYS QB . 28 . HB* 1 1
161 1 1 1 1 27 CYS HA . 28 . HA 1 1
161 1 2 1 1 28 CYS H . 29 . HN 1 1
162 1 1 1 1 28 CYS H . 29 . HN 1 1
162 1 2 1 1 28 CYS HB3 . 29 . HB1 1 1
163 1 1 1 1 28 CYS H . 29 . HN 1 1
163 1 2 1 1 29 PRO HD3 . 30 . HD1 1 1
164 1 1 1 1 28 CYS HA . 29 . HA 1 1
164 1 2 1 1 29 PRO HD2 . 30 . HD2 1 1
165 1 1 1 1 28 CYS HA . 29 . HA 1 1
165 1 2 1 1 29 PRO HD3 . 30 . HD1 1 1
166 1 1 1 1 28 CYS HA . 29 . HA 1 1
166 1 2 1 1 30 THR H . 31 . HN 1 1
167 1 1 1 1 28 CYS HB2 . 29 . HB2 1 1
167 1 2 1 1 29 PRO HD2 . 30 . HD2 1 1
168 1 1 1 1 28 CYS HB3 . 29 . HB1 1 1
168 1 2 1 1 29 PRO HG3 . 30 . HG2 1 1
169 1 1 1 1 29 PRO HA . 30 . HA 1 1
169 1 2 1 1 29 PRO HD3 . 30 . HD1 1 1
170 1 1 1 1 29 PRO HA . 30 . HA 1 1
170 1 2 1 1 30 THR H . 31 . HN 1 1
171 1 1 1 1 29 PRO HB2 . 30 . HB1 1 1
171 1 2 1 1 30 THR H . 31 . HN 1 1
172 1 1 1 1 29 PRO HG2 . 30 . HG1 1 1
172 1 2 1 1 30 THR H . 31 . HN 1 1
173 1 1 1 1 29 PRO HG2 . 30 . HG1 1 1
173 1 2 1 1 30 THR HA . 31 . HA 1 1
174 1 1 1 1 30 THR H . 31 . HN 1 1
174 1 2 1 1 30 THR MG . 31 . HG2* 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 . . . . . 4.5 1.8 4.5 1 1
2 1 . . . . . 5.0 1.8 5.0 1 1
3 1 . . . . . 3.6 1.8 3.6 1 1
4 1 . . . . . 6.0 1.8 6.0 1 1
5 1 . . . . . 2.7 1.8 2.7 1 1
6 1 . . . . . 3.6 1.8 3.6 1 1
7 1 . . . . . 3.6 1.8 3.6 1 1
8 1 . . . . . 4.5 1.8 4.5 1 1
9 1 . . . . . 4.5 1.8 4.5 1 1
10 1 . . . . . 5.5 1.8 5.5 1 1
11 1 . . . . . 2.7 1.8 2.7 1 1
12 1 . . . . . 2.7 1.8 2.7 1 1
13 1 . . . . . 3.6 1.8 3.6 1 1
14 1 . . . . . 3.6 1.8 3.6 1 1
15 1 . . . . . 5.5 1.8 5.5 1 1
16 1 . . . . . 5.5 1.8 5.5 1 1
17 1 . . . . . 3.6 1.8 3.6 1 1
18 1 . . . . . 5.5 1.8 5.5 1 1
19 1 . . . . . 2.7 1.8 2.7 1 1
20 1 . . . . . 4.5 1.8 4.5 1 1
21 1 . . . . . 5.5 1.8 5.5 1 1
22 1 . . . . . 4.5 1.8 4.5 1 1
23 1 . . . . . 2.7 1.8 2.7 1 1
24 1 . . . . . 3.2 1.8 3.2 1 1
25 1 . . . . . 5.0 1.8 5.0 1 1
26 1 . . . . . 3.6 1.8 3.6 1 1
27 1 . . . . . 3.2 1.8 3.2 1 1
28 1 . . . . . 2.7 1.8 2.7 1 1
29 1 . . . . . 5.5 1.8 5.5 1 1
30 1 . . . . . 5.5 1.8 5.5 1 1
31 1 . . . . . 4.5 1.8 4.5 1 1
32 1 . . . . . 4.5 1.8 4.5 1 1
33 1 . . . . . 3.7 1.8 3.7 1 1
34 1 . . . . . 3.2 1.8 3.2 1 1
35 1 . . . . . 3.6 1.8 3.6 1 1
36 1 . . . . . 2.7 1.8 2.7 1 1
37 1 . . . . . 5.5 1.8 5.5 1 1
38 1 . . . . . 4.5 1.8 4.5 1 1
39 1 . . . . . 5.5 1.8 5.5 1 1
40 1 . . . . . 3.6 1.8 3.6 1 1
41 1 . . . . . 4.1 1.8 4.1 1 1
42 1 . . . . . 4.5 1.8 4.5 1 1
43 1 . . . . . 5.5 1.8 5.5 1 1
44 1 . . . . . 3.2 1.8 3.2 1 1
45 1 . . . . . 3.6 1.8 3.6 1 1
46 1 . . . . . 3.6 1.8 3.6 1 1
47 1 . . . . . 2.7 1.8 2.7 1 1
48 1 . . . . . 4.5 1.8 4.5 1 1
49 1 . . . . . 6.0 1.8 6.0 1 1
50 1 . . . . . 3.6 1.8 3.6 1 1
51 1 . . . . . 2.7 1.8 2.7 1 1
52 1 . . . . . 2.7 1.8 2.7 1 1
53 1 . . . . . 4.5 1.8 4.5 1 1
54 1 . . . . . 2.7 1.8 2.7 1 1
55 1 . . . . . 3.2 1.8 3.2 1 1
56 1 . . . . . 2.7 1.8 2.7 1 1
57 1 . . . . . 2.7 1.8 2.7 1 1
58 1 . . . . . 5.5 1.8 5.5 1 1
59 1 . . . . . 5.5 1.8 5.5 1 1
60 1 . . . . . 4.5 1.8 4.5 1 1
61 1 . . . . . 4.5 1.8 4.5 1 1
62 1 . . . . . 4.5 1.8 4.5 1 1
63 1 . . . . . 3.6 1.8 3.6 1 1
64 1 . . . . . 5.5 1.8 5.5 1 1
65 1 . . . . . 3.2 1.8 3.2 1 1
66 1 . . . . . 5.5 1.8 5.5 1 1
67 1 . . . . . 3.6 1.8 3.6 1 1
68 1 . . . . . 3.6 1.8 3.6 1 1
69 1 . . . . . 5.5 1.8 5.5 1 1
70 1 . . . . . 5.0 1.8 5.0 1 1
71 1 . . . . . 5.5 1.8 5.5 1 1
72 1 . . . . . 5.5 1.8 5.5 1 1
73 1 . . . . . 4.5 1.8 4.5 1 1
74 1 . . . . . 4.5 1.8 4.5 1 1
75 1 . . . . . 5.5 1.8 5.5 1 1
76 1 . . . . . 2.7 1.8 2.7 1 1
77 1 . . . . . 5.5 1.8 5.5 1 1
78 1 . . . . . 4.5 1.8 4.5 1 1
79 1 . . . . . . 2.7 4.5 1 1
80 1 . . . . . 5.5 1.8 5.5 1 1
81 1 . . . . . 5.5 1.8 5.5 1 1
82 1 . . . . . 3.6 1.8 3.6 1 1
83 1 . . . . . 3.6 1.8 3.6 1 1
84 1 . . . . . 4.5 1.8 4.5 1 1
85 1 . . . . . 6.0 1.8 6.0 1 1
86 1 . . . . . 5.5 1.8 5.5 1 1
87 1 . . . . . 5.5 1.8 5.5 1 1
88 1 . . . . . 5.0 1.8 5.0 1 1
89 1 . . . . . 3.6 1.8 3.6 1 1
90 1 . . . . . 3.2 1.8 3.2 1 1
91 1 . . . . . 3.6 1.8 3.6 1 1
92 1 . . . . . 3.2 1.8 3.2 1 1
93 1 . . . . . 3.2 1.8 3.2 1 1
94 1 . . . . . 3.6 1.8 3.6 1 1
95 1 . . . . . 5.5 1.8 5.5 1 1
96 1 . . . . . 5.5 1.8 5.5 1 1
97 1 . . . . . 4.5 1.8 4.5 1 1
98 1 . . . . . 5.5 1.8 5.5 1 1
99 1 . . . . . 3.6 1.8 3.6 1 1
100 1 . . . . . 3.6 1.8 3.6 1 1
101 1 . . . . . 3.2 1.8 3.2 1 1
102 1 . . . . . 3.2 1.8 3.2 1 1
103 1 . . . . . 3.6 1.8 3.6 1 1
104 1 . . . . . 6.0 1.8 6.0 1 1
105 1 . . . . . 2.7 1.8 2.7 1 1
106 1 . . . . . 4.5 1.8 4.5 1 1
107 1 . . . . . 4.5 1.8 4.5 1 1
108 1 . . . . . 5.5 1.8 5.5 1 1
109 1 . . . . . 3.6 1.8 3.6 1 1
110 1 . . . . . . 1.8 5.0 1 1
111 1 . . . . . 5.5 1.8 5.5 1 1
112 1 . . . . . 4.5 1.8 4.5 1 1
113 1 . . . . . 3.6 1.8 3.6 1 1
114 1 . . . . . 3.6 1.8 3.6 1 1
115 1 . . . . . 3.6 1.8 3.6 1 1
116 1 . . . . . 3.2 1.8 3.2 1 1
117 1 . . . . . 3.2 1.8 3.2 1 1
118 1 . . . . . 2.7 1.8 2.7 1 1
119 1 . . . . . 5.5 1.8 5.5 1 1
120 1 . . . . . 4.5 1.8 4.5 1 1
121 1 . . . . . 4.5 1.8 4.5 1 1
122 1 . . . . . 5.5 1.8 5.5 1 1
123 1 . . . . . 3.2 1.8 3.2 1 1
124 1 . . . . . 3.2 1.8 3.2 1 1
125 1 . . . . . 3.2 1.8 3.2 1 1
126 1 . . . . . 5.0 1.8 5.0 1 1
127 1 . . . . . . 2.3 5.5 1 1
128 1 . . . . . 3.6 1.8 3.6 1 1
129 1 . . . . . 2.7 1.8 2.7 1 1
130 1 . . . . . 4.5 1.8 4.5 1 1
131 1 . . . . . 4.5 1.8 4.5 1 1
132 1 . . . . . 3.6 1.8 3.6 1 1
133 1 . . . . . 4.5 1.8 4.5 1 1
134 1 . . . . . 5.5 1.8 5.5 1 1
135 1 . . . . . 5.5 1.8 5.5 1 1
136 1 . . . . . 4.5 1.8 4.5 1 1
137 1 . . . . . 5.5 1.8 5.5 1 1
138 1 . . . . . 2.7 1.8 2.7 1 1
139 1 . . . . . 5.5 1.8 5.5 1 1
140 1 . . . . . 5.5 1.8 5.5 1 1
141 1 . . . . . 2.7 1.8 2.7 1 1
142 1 . . . . . 4.5 1.8 4.5 1 1
143 1 . . . . . 4.5 1.8 4.5 1 1
144 1 . . . . . 4.5 1.8 4.5 1 1
145 1 . . . . . 2.7 1.8 2.7 1 1
146 1 . . . . . 4.5 1.8 4.5 1 1
147 1 . . . . . 5.5 1.8 5.5 1 1
148 1 . . . . . 2.7 1.8 2.7 1 1
149 1 . . . . . 2.7 1.8 2.7 1 1
150 1 . . . . . 5.5 1.8 5.5 1 1
151 1 . . . . . 4.5 1.8 4.5 1 1
152 1 . . . . . 3.2 1.8 3.2 1 1
153 1 . . . . . 3.6 1.8 3.6 1 1
154 1 . . . . . 4.5 1.8 4.5 1 1
155 1 . . . . . 5.5 1.8 5.5 1 1
156 1 . . . . . 4.5 1.8 4.5 1 1
157 1 . . . . . 5.5 1.8 5.5 1 1
158 1 . . . . . 5.5 1.8 5.5 1 1
159 1 . . . . . 3.6 1.8 3.6 1 1
160 1 . . . . . 2.7 1.8 2.7 1 1
161 1 . . . . . 4.5 1.8 4.5 1 1
162 1 . . . . . 3.2 1.8 3.2 1 1
163 1 . . . . . 5.5 1.8 5.5 1 1
164 1 . . . . . 3.2 1.8 3.2 1 1
165 1 . . . . . 4.5 1.8 4.5 1 1
166 1 . . . . . 4.5 1.8 4.5 1 1
167 1 . . . . . 3.2 1.8 3.2 1 1
168 1 . . . . . 4.5 1.8 4.5 1 1
169 1 . . . . . 4.5 1.8 4.5 1 1
170 1 . . . . . 2.7 1.8 2.7 1 1
171 1 . . . . . 4.5 1.8 4.5 1 1
172 1 . . . . . 4.5 1.8 4.5 1 1
173 1 . . . . . 5.5 1.8 5.5 1 1
174 1 . . . . . 4.1 1.8 4.1 1 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID 1
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID .
_Torsion_angle_constraint_list.Block_ID .
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . 1 1 1 PRO C 1 1 2 CYS N 1 1 2 CYS CA 1 1 2 CYS C -89.99999 -30.0 . 2 . C . 3 . N . 3 . CA . 3 . C 1 1
2 . 1 1 4 LYS C 1 1 5 CYS N 1 1 5 CYS CA 1 1 5 CYS C -150.0 -89.99999 . 5 . C . 6 . N . 6 . CA . 6 . C 1 1
3 . 1 1 21 CYS C 1 1 22 SER N 1 1 22 SER CA 1 1 22 SER C -89.99999 -30.0 . 22 . C . 23 . N . 23 . CA . 23 . C 1 1
4 . 1 1 14 LYS C 1 1 15 ASP N 1 1 15 ASP CA 1 1 15 ASP C -89.99999 -30.0 . 15 . C . 16 . N . 16 . CA . 16 . C 1 1
5 . 1 1 16 GLU C 1 1 17 CYS N 1 1 17 CYS CA 1 1 17 CYS C -89.99999 -30.0 . 17 . C . 18 . N . 18 . CA . 18 . C 1 1
6 . 1 1 17 CYS C 1 1 18 ALA N 1 1 18 ALA CA 1 1 18 ALA C -89.99999 -30.0 . 18 . C . 19 . N . 19 . CA . 19 . C 1 1
7 . 1 1 19 LYS C 1 1 20 THR N 1 1 20 THR CA 1 1 20 THR C -160.0 -80.0 . 20 . C . 21 . N . 21 . CA . 21 . C 1 1
8 . 1 1 20 THR C 1 1 21 CYS N 1 1 21 CYS CA 1 1 21 CYS C -160.0 -80.0 . 21 . C . 22 . N . 22 . CA . 22 . C 1 1
9 . 1 1 27 CYS C 1 1 28 CYS N 1 1 28 CYS CA 1 1 28 CYS C -89.99999 -30.0 . 28 . C . 29 . N . 29 . CA . 29 . C 1 1
10 . 1 1 29 PRO C 1 1 30 THR N 1 1 30 THR CA 1 1 30 THR C -160.0 -80.0 . 30 . C . 31 . N . 31 . CA . 31 . C 1 1
11 . 1 1 2 CYS N 1 1 2 CYS CA 1 1 2 CYS CB 1 1 2 CYS SG 30.0 89.99999 . 3 . N . 3 . CA . 3 . CB . 3 . SG 1 1
12 . 1 1 5 CYS N 1 1 5 CYS CA 1 1 5 CYS CB 1 1 5 CYS SG -89.99999 -30.0 . 6 . N . 6 . CA . 6 . CB . 6 . SG 1 1
13 . 1 1 11 CYS N 1 1 11 CYS CA 1 1 11 CYS CB 1 1 11 CYS SG -89.99999 -30.0 . 12 . N . 12 . CA . 12 . CB . 12 . SG 1 1
14 . 1 1 17 CYS N 1 1 17 CYS CA 1 1 17 CYS CB 1 1 17 CYS SG 150.0 210.0 . 18 . N . 18 . CA . 18 . CB . 18 . SG 1 1
15 . 1 1 21 CYS N 1 1 21 CYS CA 1 1 21 CYS CB 1 1 21 CYS SG -89.99999 -30.0 . 22 . N . 22 . CA . 22 . CB . 22 . SG 1 1
16 . 1 1 25 CYS N 1 1 25 CYS CA 1 1 25 CYS CB 1 1 25 CYS SG -89.99999 -30.0 . 26 . N . 26 . CA . 26 . CB . 26 . SG 1 1
17 . 1 1 28 CYS N 1 1 28 CYS CA 1 1 28 CYS CB 1 1 28 CYS SG -89.99999 -30.0 . 29 . N . 29 . CA . 29 . CB . 29 . SG 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 PRO C C 19.552 4.769 -5.568 1.00 . A A . 2 PRO C 1 1
1 2 1 1 1 PRO CA C 18.831 5.512 -4.440 1.00 . A A . 2 PRO CA 1 1
1 3 1 1 1 PRO CB C 17.373 5.769 -4.807 1.00 . A A . 2 PRO CB 1 1
1 4 1 1 1 PRO CD C 18.475 7.907 -4.748 1.00 . A A . 2 PRO CD 1 1
1 5 1 1 1 PRO CG C 17.366 7.133 -5.409 1.00 . A A . 2 PRO CG 1 1
1 6 1 1 1 PRO H3 H 20.295 6.937 -4.808 1.00 . A A . 2 PRO H3 1 1
1 7 1 1 1 PRO HA H 18.889 4.956 -3.519 1.00 . A A . 2 PRO HA 1 1
1 8 1 1 1 PRO HB2 H 17.032 5.039 -5.525 1.00 . A A . 2 PRO HB2 1 1
1 9 1 1 1 PRO HB3 H 16.754 5.746 -3.922 1.00 . A A . 2 PRO HB3 1 1
1 10 1 1 1 PRO HD2 H 18.963 8.552 -5.464 1.00 . A A . 2 PRO HD2 1 1
1 11 1 1 1 PRO HD3 H 18.092 8.482 -3.919 1.00 . A A . 2 PRO HD3 1 1
1 12 1 1 1 PRO HG2 H 17.544 7.068 -6.472 1.00 . A A . 2 PRO HG2 1 1
1 13 1 1 1 PRO HG3 H 16.418 7.615 -5.221 1.00 . A A . 2 PRO HG3 1 1
1 14 1 1 1 PRO N N 19.407 6.873 -4.270 1.00 . A A . 2 PRO N 1 1
1 15 1 1 1 PRO O O 19.563 5.204 -6.703 1.00 . A A . 2 PRO O 1 1
1 16 1 1 2 CYS C C 19.904 2.057 -7.142 1.00 . A A . 3 CYS C 1 1
1 17 1 1 2 CYS CA C 20.882 2.894 -6.313 1.00 . A A . 3 CYS CA 1 1
1 18 1 1 2 CYS CB C 21.875 2.000 -5.554 1.00 . A A . 3 CYS CB 1 1
1 19 1 1 2 CYS H H 20.148 3.324 -4.354 1.00 . A A . 3 CYS H 1 1
1 20 1 1 2 CYS HA H 21.419 3.574 -6.943 1.00 . A A . 3 CYS HA 1 1
1 21 1 1 2 CYS HB2 H 22.646 1.668 -6.232 1.00 . A A . 3 CYS HB2 1 1
1 22 1 1 2 CYS HB3 H 22.325 2.568 -4.753 1.00 . A A . 3 CYS HB3 1 1
1 23 1 1 2 CYS N N 20.160 3.654 -5.265 1.00 . A A . 3 CYS N 1 1
1 24 1 1 2 CYS O O 18.777 2.447 -7.378 1.00 . A A . 3 CYS O 1 1
1 25 1 1 2 CYS SG S 21.026 0.553 -4.861 1.00 . A A . 3 CYS SG 1 1
1 26 1 1 3 GLU C C 18.103 -0.186 -7.712 1.00 . A A . 4 GLU C 1 1
1 27 1 1 3 GLU CA C 19.447 0.034 -8.401 1.00 . A A . 4 GLU CA 1 1
1 28 1 1 3 GLU CB C 20.187 -1.300 -8.472 1.00 . A A . 4 GLU CB 1 1
1 29 1 1 3 GLU CD C 19.079 -3.240 -9.592 1.00 . A A . 4 GLU CD 1 1
1 30 1 1 3 GLU CG C 19.905 -1.971 -9.818 1.00 . A A . 4 GLU CG 1 1
1 31 1 1 3 GLU H H 21.247 0.623 -7.380 1.00 . A A . 4 GLU H 1 1
1 32 1 1 3 GLU HA H 19.312 0.436 -9.392 1.00 . A A . 4 GLU HA 1 1
1 33 1 1 3 GLU HB2 H 21.249 -1.130 -8.369 1.00 . A A . 4 GLU HB2 1 1
1 34 1 1 3 GLU HB3 H 19.841 -1.943 -7.665 1.00 . A A . 4 GLU HB3 1 1
1 35 1 1 3 GLU HG2 H 19.353 -1.291 -10.450 1.00 . A A . 4 GLU HG2 1 1
1 36 1 1 3 GLU HG3 H 20.839 -2.229 -10.294 1.00 . A A . 4 GLU HG3 1 1
1 37 1 1 3 GLU N N 20.333 0.911 -7.584 1.00 . A A . 4 GLU N 1 1
1 38 1 1 3 GLU O O 17.056 0.163 -8.220 1.00 . A A . 4 GLU O 1 1
1 39 1 1 3 GLU OE1 O 19.585 -4.145 -8.949 1.00 . A A . 4 GLU OE1 1 1
1 40 1 1 3 GLU OE2 O 17.956 -3.284 -10.066 1.00 . A A . 4 GLU OE2 1 1
1 41 1 1 4 LYS C C 16.552 -0.089 -4.784 1.00 . A A . 5 LYS C 1 1
1 42 1 1 4 LYS CA C 16.897 -1.143 -5.843 1.00 . A A . 5 LYS CA 1 1
1 43 1 1 4 LYS CB C 17.244 -2.472 -5.196 1.00 . A A . 5 LYS CB 1 1
1 44 1 1 4 LYS CD C 16.431 -4.824 -4.991 1.00 . A A . 5 LYS CD 1 1
1 45 1 1 4 LYS CE C 15.654 -4.496 -3.714 1.00 . A A . 5 LYS CE 1 1
1 46 1 1 4 LYS CG C 16.473 -3.589 -5.893 1.00 . A A . 5 LYS CG 1 1
1 47 1 1 4 LYS H H 18.999 -1.117 -6.223 1.00 . A A . 5 LYS H 1 1
1 48 1 1 4 LYS HA H 16.077 -1.279 -6.522 1.00 . A A . 5 LYS HA 1 1
1 49 1 1 4 LYS HB2 H 18.309 -2.648 -5.309 1.00 . A A . 5 LYS HB2 1 1
1 50 1 1 4 LYS HB3 H 16.986 -2.445 -4.151 1.00 . A A . 5 LYS HB3 1 1
1 51 1 1 4 LYS HD2 H 15.942 -5.634 -5.512 1.00 . A A . 5 LYS HD2 1 1
1 52 1 1 4 LYS HD3 H 17.438 -5.117 -4.734 1.00 . A A . 5 LYS HD3 1 1
1 53 1 1 4 LYS HE2 H 16.253 -3.885 -3.056 1.00 . A A . 5 LYS HE2 1 1
1 54 1 1 4 LYS HE3 H 14.728 -3.995 -3.956 1.00 . A A . 5 LYS HE3 1 1
1 55 1 1 4 LYS HG2 H 15.466 -3.257 -6.099 1.00 . A A . 5 LYS HG2 1 1
1 56 1 1 4 LYS HG3 H 16.968 -3.836 -6.821 1.00 . A A . 5 LYS HG3 1 1
1 57 1 1 4 LYS HZ1 H 16.209 -6.125 -2.541 1.00 . A A . 5 LYS HZ1 1 1
1 58 1 1 4 LYS HZ2 H 15.172 -6.519 -3.827 1.00 . A A . 5 LYS HZ2 1 1
1 59 1 1 4 LYS HZ3 H 14.561 -5.737 -2.448 1.00 . A A . 5 LYS HZ3 1 1
1 60 1 1 4 LYS N N 18.141 -0.817 -6.579 1.00 . A A . 5 LYS N 1 1
1 61 1 1 4 LYS NZ N 15.378 -5.819 -3.085 1.00 . A A . 5 LYS NZ 1 1
1 62 1 1 4 LYS O O 16.146 -0.418 -3.687 1.00 . A A . 5 LYS O 1 1
1 63 1 1 5 CYS C C 15.579 3.376 -4.745 1.00 . A A . 6 CYS C 1 1
1 64 1 1 5 CYS CA C 16.333 2.218 -4.089 1.00 . A A . 6 CYS CA 1 1
1 65 1 1 5 CYS CB C 17.661 2.694 -3.501 1.00 . A A . 6 CYS CB 1 1
1 66 1 1 5 CYS H H 17.003 1.427 -5.989 1.00 . A A . 6 CYS H 1 1
1 67 1 1 5 CYS HA H 15.723 1.784 -3.311 1.00 . A A . 6 CYS HA 1 1
1 68 1 1 5 CYS HB2 H 18.426 2.658 -4.262 1.00 . A A . 6 CYS HB2 1 1
1 69 1 1 5 CYS HB3 H 17.555 3.707 -3.141 1.00 . A A . 6 CYS HB3 1 1
1 70 1 1 5 CYS N N 16.685 1.171 -5.098 1.00 . A A . 6 CYS N 1 1
1 71 1 1 5 CYS O O 15.211 4.331 -4.091 1.00 . A A . 6 CYS O 1 1
1 72 1 1 5 CYS SG S 18.117 1.608 -2.129 1.00 . A A . 6 CYS SG 1 1
1 73 1 1 6 THR C C 13.076 4.228 -6.373 1.00 . A A . 7 THR C 1 1
1 74 1 1 6 THR CA C 14.565 4.392 -6.686 1.00 . A A . 7 THR CA 1 1
1 75 1 1 6 THR CB C 14.828 4.209 -8.182 1.00 . A A . 7 THR CB 1 1
1 76 1 1 6 THR CG2 C 16.335 4.182 -8.438 1.00 . A A . 7 THR CG2 1 1
1 77 1 1 6 THR H H 15.606 2.512 -6.533 1.00 . A A . 7 THR H 1 1
1 78 1 1 6 THR HA H 14.921 5.356 -6.358 1.00 . A A . 7 THR HA 1 1
1 79 1 1 6 THR HB H 14.389 5.030 -8.728 1.00 . A A . 7 THR HB 1 1
1 80 1 1 6 THR HG1 H 14.203 2.395 -7.861 1.00 . A A . 7 THR HG1 1 1
1 81 1 1 6 THR HG21 H 16.679 3.158 -8.451 1.00 . A A . 7 THR HG21 1 1
1 82 1 1 6 THR HG22 H 16.843 4.723 -7.654 1.00 . A A . 7 THR HG22 1 1
1 83 1 1 6 THR HG23 H 16.547 4.645 -9.391 1.00 . A A . 7 THR HG23 1 1
1 84 1 1 6 THR N N 15.322 3.296 -6.020 1.00 . A A . 7 THR N 1 1
1 85 1 1 6 THR O O 12.246 4.171 -7.258 1.00 . A A . 7 THR O 1 1
1 86 1 1 6 THR OG1 O 14.249 2.986 -8.616 1.00 . A A . 7 THR OG1 1 1
1 87 1 1 7 SER C C 11.207 3.700 -3.223 1.00 . A A . 8 SER C 1 1
1 88 1 1 7 SER CA C 11.313 3.947 -4.731 1.00 . A A . 8 SER CA 1 1
1 89 1 1 7 SER CB C 10.874 2.704 -5.501 1.00 . A A . 8 SER CB 1 1
1 90 1 1 7 SER H H 13.428 4.168 -4.420 1.00 . A A . 8 SER H 1 1
1 91 1 1 7 SER HA H 10.721 4.799 -5.026 1.00 . A A . 8 SER HA 1 1
1 92 1 1 7 SER HB2 H 10.689 2.964 -6.532 1.00 . A A . 8 SER HB2 1 1
1 93 1 1 7 SER HB3 H 11.658 1.959 -5.449 1.00 . A A . 8 SER HB3 1 1
1 94 1 1 7 SER HG H 9.189 1.739 -5.614 1.00 . A A . 8 SER HG 1 1
1 95 1 1 7 SER N N 12.739 4.132 -5.114 1.00 . A A . 8 SER N 1 1
1 96 1 1 7 SER O O 11.012 4.610 -2.443 1.00 . A A . 8 SER O 1 1
1 97 1 1 7 SER OG O 9.686 2.183 -4.923 1.00 . A A . 8 SER OG 1 1
1 98 1 1 8 GLY C C 12.291 1.057 -1.042 1.00 . A A . 9 GLY C 1 1
1 99 1 1 8 GLY CA C 11.260 2.141 -1.362 1.00 . A A . 9 GLY CA 1 1
1 100 1 1 8 GLY H H 11.504 1.752 -3.463 1.00 . A A . 9 GLY H 1 1
1 101 1 1 8 GLY HA2 H 11.472 3.026 -0.779 1.00 . A A . 9 GLY HA2 1 1
1 102 1 1 8 GLY HA3 H 10.270 1.781 -1.126 1.00 . A A . 9 GLY HA3 1 1
1 103 1 1 8 GLY N N 11.342 2.467 -2.813 1.00 . A A . 9 GLY N 1 1
1 104 1 1 8 GLY O O 12.383 0.057 -1.727 1.00 . A A . 9 GLY O 1 1
1 105 1 1 9 CYS C C 13.992 -0.195 1.789 1.00 . A A . 10 CYS C 1 1
1 106 1 1 9 CYS CA C 14.105 0.223 0.325 1.00 . A A . 10 CYS CA 1 1
1 107 1 1 9 CYS CB C 15.444 0.913 0.071 1.00 . A A . 10 CYS CB 1 1
1 108 1 1 9 CYS H H 12.994 2.062 0.520 1.00 . A A . 10 CYS H 1 1
1 109 1 1 9 CYS HA H 14.011 -0.638 -0.316 1.00 . A A . 10 CYS HA 1 1
1 110 1 1 9 CYS HB2 H 16.241 0.312 0.484 1.00 . A A . 10 CYS HB2 1 1
1 111 1 1 9 CYS HB3 H 15.594 1.024 -0.993 1.00 . A A . 10 CYS HB3 1 1
1 112 1 1 9 CYS N N 13.075 1.246 -0.018 1.00 . A A . 10 CYS N 1 1
1 113 1 1 9 CYS O O 13.711 0.607 2.658 1.00 . A A . 10 CYS O 1 1
1 114 1 1 9 CYS SG S 15.453 2.546 0.856 1.00 . A A . 10 CYS SG 1 1
1 115 1 1 10 LYS C C 15.441 -1.545 4.203 1.00 . A A . 11 LYS C 1 1
1 116 1 1 10 LYS CA C 14.151 -1.921 3.476 1.00 . A A . 11 LYS CA 1 1
1 117 1 1 10 LYS CB C 14.008 -3.440 3.380 1.00 . A A . 11 LYS CB 1 1
1 118 1 1 10 LYS CD C 12.107 -5.049 3.579 1.00 . A A . 11 LYS CD 1 1
1 119 1 1 10 LYS CE C 10.757 -4.761 4.239 1.00 . A A . 11 LYS CE 1 1
1 120 1 1 10 LYS CG C 12.608 -3.789 2.871 1.00 . A A . 11 LYS CG 1 1
1 121 1 1 10 LYS H H 14.461 -2.073 1.353 1.00 . A A . 11 LYS H 1 1
1 122 1 1 10 LYS HA H 13.294 -1.496 3.976 1.00 . A A . 11 LYS HA 1 1
1 123 1 1 10 LYS HB2 H 14.747 -3.828 2.695 1.00 . A A . 11 LYS HB2 1 1
1 124 1 1 10 LYS HB3 H 14.156 -3.878 4.356 1.00 . A A . 11 LYS HB3 1 1
1 125 1 1 10 LYS HD2 H 11.994 -5.846 2.859 1.00 . A A . 11 LYS HD2 1 1
1 126 1 1 10 LYS HD3 H 12.821 -5.345 4.334 1.00 . A A . 11 LYS HD3 1 1
1 127 1 1 10 LYS HE2 H 10.350 -5.664 4.671 1.00 . A A . 11 LYS HE2 1 1
1 128 1 1 10 LYS HE3 H 10.863 -3.997 4.994 1.00 . A A . 11 LYS HE3 1 1
1 129 1 1 10 LYS HG2 H 11.935 -2.970 3.076 1.00 . A A . 11 LYS HG2 1 1
1 130 1 1 10 LYS HG3 H 12.646 -3.966 1.806 1.00 . A A . 11 LYS HG3 1 1
1 131 1 1 10 LYS HZ1 H 10.197 -4.703 2.234 1.00 . A A . 11 LYS HZ1 1 1
1 132 1 1 10 LYS HZ2 H 9.952 -3.242 3.065 1.00 . A A . 11 LYS HZ2 1 1
1 133 1 1 10 LYS HZ3 H 8.901 -4.552 3.318 1.00 . A A . 11 LYS HZ3 1 1
1 134 1 1 10 LYS N N 14.226 -1.447 2.069 1.00 . A A . 11 LYS N 1 1
1 135 1 1 10 LYS NZ N 9.886 -4.278 3.130 1.00 . A A . 11 LYS NZ 1 1
1 136 1 1 10 LYS O O 15.421 -0.805 5.165 1.00 . A A . 11 LYS O 1 1
1 137 1 1 11 CYS C C 17.712 -1.511 5.869 1.00 . A A . 12 CYS C 1 1
1 138 1 1 11 CYS CA C 17.878 -1.709 4.359 1.00 . A A . 12 CYS CA 1 1
1 139 1 1 11 CYS CB C 18.316 -0.420 3.653 1.00 . A A . 12 CYS CB 1 1
1 140 1 1 11 CYS H H 16.534 -2.615 2.934 1.00 . A A . 12 CYS H 1 1
1 141 1 1 11 CYS HA H 18.595 -2.493 4.164 1.00 . A A . 12 CYS HA 1 1
1 142 1 1 11 CYS HB2 H 17.541 0.326 3.754 1.00 . A A . 12 CYS HB2 1 1
1 143 1 1 11 CYS HB3 H 19.239 -0.046 4.079 1.00 . A A . 12 CYS HB3 1 1
1 144 1 1 11 CYS N N 16.561 -2.037 3.726 1.00 . A A . 12 CYS N 1 1
1 145 1 1 11 CYS O O 17.392 -0.436 6.324 1.00 . A A . 12 CYS O 1 1
1 146 1 1 11 CYS SG S 18.562 -0.805 1.899 1.00 . A A . 12 CYS SG 1 1
1 147 1 1 12 PRO C C 18.951 -1.779 8.701 1.00 . A A . 13 PRO C 1 1
1 148 1 1 12 PRO CA C 17.781 -2.536 8.070 1.00 . A A . 13 PRO CA 1 1
1 149 1 1 12 PRO CB C 17.808 -4.007 8.472 1.00 . A A . 13 PRO CB 1 1
1 150 1 1 12 PRO CD C 18.304 -3.908 6.109 1.00 . A A . 13 PRO CD 1 1
1 151 1 1 12 PRO CG C 18.549 -4.696 7.370 1.00 . A A . 13 PRO CG 1 1
1 152 1 1 12 PRO HA H 16.841 -2.092 8.353 1.00 . A A . 13 PRO HA 1 1
1 153 1 1 12 PRO HB2 H 18.329 -4.130 9.410 1.00 . A A . 13 PRO HB2 1 1
1 154 1 1 12 PRO HB3 H 16.802 -4.394 8.547 1.00 . A A . 13 PRO HB3 1 1
1 155 1 1 12 PRO HD2 H 19.205 -3.851 5.517 1.00 . A A . 13 PRO HD2 1 1
1 156 1 1 12 PRO HD3 H 17.500 -4.348 5.538 1.00 . A A . 13 PRO HD3 1 1
1 157 1 1 12 PRO HG2 H 19.606 -4.715 7.593 1.00 . A A . 13 PRO HG2 1 1
1 158 1 1 12 PRO HG3 H 18.180 -5.704 7.252 1.00 . A A . 13 PRO HG3 1 1
1 159 1 1 12 PRO N N 17.921 -2.576 6.593 1.00 . A A . 13 PRO N 1 1
1 160 1 1 12 PRO O O 18.771 -0.954 9.576 1.00 . A A . 13 PRO O 1 1
1 161 1 1 13 SER C C 22.471 -1.313 7.828 1.00 . A A . 14 SER C 1 1
1 162 1 1 13 SER CA C 21.329 -1.349 8.845 1.00 . A A . 14 SER CA 1 1
1 163 1 1 13 SER CB C 21.725 -2.177 10.068 1.00 . A A . 14 SER CB 1 1
1 164 1 1 13 SER H H 20.274 -2.721 7.561 1.00 . A A . 14 SER H 1 1
1 165 1 1 13 SER HA H 21.061 -0.349 9.147 1.00 . A A . 14 SER HA 1 1
1 166 1 1 13 SER HB2 H 22.469 -2.906 9.783 1.00 . A A . 14 SER HB2 1 1
1 167 1 1 13 SER HB3 H 22.131 -1.525 10.827 1.00 . A A . 14 SER HB3 1 1
1 168 1 1 13 SER HG H 20.068 -2.208 11.085 1.00 . A A . 14 SER HG 1 1
1 169 1 1 13 SER N N 20.150 -2.053 8.267 1.00 . A A . 14 SER N 1 1
1 170 1 1 13 SER O O 22.943 -0.260 7.448 1.00 . A A . 14 SER O 1 1
1 171 1 1 13 SER OG O 20.580 -2.843 10.579 1.00 . A A . 14 SER OG 1 1
1 172 1 1 14 LYS C C 24.125 -3.850 5.716 1.00 . A A . 15 LYS C 1 1
1 173 1 1 14 LYS CA C 24.029 -2.476 6.388 1.00 . A A . 15 LYS CA 1 1
1 174 1 1 14 LYS CB C 25.292 -2.188 7.200 1.00 . A A . 15 LYS CB 1 1
1 175 1 1 14 LYS CD C 26.969 -0.367 7.533 1.00 . A A . 15 LYS CD 1 1
1 176 1 1 14 LYS CE C 27.414 0.701 6.532 1.00 . A A . 15 LYS CE 1 1
1 177 1 1 14 LYS CG C 25.485 -0.676 7.325 1.00 . A A . 15 LYS CG 1 1
1 178 1 1 14 LYS H H 22.525 -3.295 7.697 1.00 . A A . 15 LYS H 1 1
1 179 1 1 14 LYS HA H 23.883 -1.705 5.650 1.00 . A A . 15 LYS HA 1 1
1 180 1 1 14 LYS HB2 H 25.193 -2.621 8.184 1.00 . A A . 15 LYS HB2 1 1
1 181 1 1 14 LYS HB3 H 26.147 -2.620 6.701 1.00 . A A . 15 LYS HB3 1 1
1 182 1 1 14 LYS HD2 H 27.124 -0.004 8.539 1.00 . A A . 15 LYS HD2 1 1
1 183 1 1 14 LYS HD3 H 27.549 -1.266 7.383 1.00 . A A . 15 LYS HD3 1 1
1 184 1 1 14 LYS HE2 H 26.999 0.496 5.556 1.00 . A A . 15 LYS HE2 1 1
1 185 1 1 14 LYS HE3 H 27.115 1.681 6.870 1.00 . A A . 15 LYS HE3 1 1
1 186 1 1 14 LYS HG2 H 25.141 -0.193 6.422 1.00 . A A . 15 LYS HG2 1 1
1 187 1 1 14 LYS HG3 H 24.919 -0.309 8.168 1.00 . A A . 15 LYS HG3 1 1
1 188 1 1 14 LYS HZ1 H 29.179 -0.163 5.842 1.00 . A A . 15 LYS HZ1 1 1
1 189 1 1 14 LYS HZ2 H 29.255 0.379 7.451 1.00 . A A . 15 LYS HZ2 1 1
1 190 1 1 14 LYS HZ3 H 29.304 1.496 6.171 1.00 . A A . 15 LYS HZ3 1 1
1 191 1 1 14 LYS N N 22.919 -2.455 7.381 1.00 . A A . 15 LYS N 1 1
1 192 1 1 14 LYS NZ N 28.900 0.595 6.496 1.00 . A A . 15 LYS NZ 1 1
1 193 1 1 14 LYS O O 24.291 -3.954 4.517 1.00 . A A . 15 LYS O 1 1
1 194 1 1 15 ASP C C 23.330 -6.340 4.574 1.00 . A A . 16 ASP C 1 1
1 195 1 1 15 ASP CA C 24.120 -6.269 5.885 1.00 . A A . 16 ASP CA 1 1
1 196 1 1 15 ASP CB C 23.504 -7.198 6.932 1.00 . A A . 16 ASP CB 1 1
1 197 1 1 15 ASP CG C 23.881 -8.646 6.614 1.00 . A A . 16 ASP CG 1 1
1 198 1 1 15 ASP H H 23.899 -4.798 7.445 1.00 . A A . 16 ASP H 1 1
1 199 1 1 15 ASP HA H 25.151 -6.537 5.718 1.00 . A A . 16 ASP HA 1 1
1 200 1 1 15 ASP HB2 H 23.877 -6.935 7.911 1.00 . A A . 16 ASP HB2 1 1
1 201 1 1 15 ASP HB3 H 22.429 -7.094 6.917 1.00 . A A . 16 ASP HB3 1 1
1 202 1 1 15 ASP N N 24.028 -4.903 6.480 1.00 . A A . 16 ASP N 1 1
1 203 1 1 15 ASP O O 23.763 -6.940 3.611 1.00 . A A . 16 ASP O 1 1
1 204 1 1 15 ASP OD1 O 25.028 -9.001 6.835 1.00 . A A . 16 ASP OD1 1 1
1 205 1 1 15 ASP OD2 O 23.018 -9.376 6.156 1.00 . A A . 16 ASP OD2 1 1
1 206 1 1 16 GLU C C 21.493 -4.447 2.544 1.00 . A A . 17 GLU C 1 1
1 207 1 1 16 GLU CA C 21.359 -5.771 3.281 1.00 . A A . 17 GLU CA 1 1
1 208 1 1 16 GLU CB C 19.909 -5.981 3.732 1.00 . A A . 17 GLU CB 1 1
1 209 1 1 16 GLU CD C 20.301 -8.319 4.524 1.00 . A A . 17 GLU CD 1 1
1 210 1 1 16 GLU CG C 19.869 -6.912 4.945 1.00 . A A . 17 GLU CG 1 1
1 211 1 1 16 GLU H H 21.843 -5.256 5.319 1.00 . A A . 17 GLU H 1 1
1 212 1 1 16 GLU HA H 21.671 -6.578 2.654 1.00 . A A . 17 GLU HA 1 1
1 213 1 1 16 GLU HB2 H 19.475 -5.029 3.998 1.00 . A A . 17 GLU HB2 1 1
1 214 1 1 16 GLU HB3 H 19.343 -6.420 2.924 1.00 . A A . 17 GLU HB3 1 1
1 215 1 1 16 GLU HG2 H 20.543 -6.539 5.701 1.00 . A A . 17 GLU HG2 1 1
1 216 1 1 16 GLU HG3 H 18.865 -6.946 5.341 1.00 . A A . 17 GLU HG3 1 1
1 217 1 1 16 GLU N N 22.176 -5.734 4.531 1.00 . A A . 17 GLU N 1 1
1 218 1 1 16 GLU O O 21.218 -4.339 1.366 1.00 . A A . 17 GLU O 1 1
1 219 1 1 16 GLU OE1 O 21.496 -8.551 4.443 1.00 . A A . 17 GLU OE1 1 1
1 220 1 1 16 GLU OE2 O 19.429 -9.139 4.291 1.00 . A A . 17 GLU OE2 1 1
1 221 1 1 17 CYS C C 23.460 -1.916 2.049 1.00 . A A . 18 CYS C 1 1
1 222 1 1 17 CYS CA C 22.050 -2.101 2.619 1.00 . A A . 18 CYS CA 1 1
1 223 1 1 17 CYS CB C 21.785 -1.146 3.774 1.00 . A A . 18 CYS CB 1 1
1 224 1 1 17 CYS H H 22.102 -3.558 4.197 1.00 . A A . 18 CYS H 1 1
1 225 1 1 17 CYS HA H 21.312 -1.963 1.846 1.00 . A A . 18 CYS HA 1 1
1 226 1 1 17 CYS HB2 H 20.735 -1.176 4.018 1.00 . A A . 18 CYS HB2 1 1
1 227 1 1 17 CYS HB3 H 22.358 -1.460 4.633 1.00 . A A . 18 CYS HB3 1 1
1 228 1 1 17 CYS N N 21.902 -3.439 3.244 1.00 . A A . 18 CYS N 1 1
1 229 1 1 17 CYS O O 23.662 -1.962 0.851 1.00 . A A . 18 CYS O 1 1
1 230 1 1 17 CYS SG S 22.260 0.536 3.313 1.00 . A A . 18 CYS SG 1 1
1 231 1 1 18 ALA C C 26.120 -2.544 1.279 1.00 . A A . 19 ALA C 1 1
1 232 1 1 18 ALA CA C 25.829 -1.527 2.385 1.00 . A A . 19 ALA CA 1 1
1 233 1 1 18 ALA CB C 26.727 -1.779 3.596 1.00 . A A . 19 ALA CB 1 1
1 234 1 1 18 ALA H H 24.256 -1.677 3.851 1.00 . A A . 19 ALA H 1 1
1 235 1 1 18 ALA HA H 25.970 -0.521 2.022 1.00 . A A . 19 ALA HA 1 1
1 236 1 1 18 ALA HB1 H 26.588 -0.987 4.318 1.00 . A A . 19 ALA HB1 1 1
1 237 1 1 18 ALA HB2 H 26.466 -2.726 4.046 1.00 . A A . 19 ALA HB2 1 1
1 238 1 1 18 ALA HB3 H 27.759 -1.802 3.281 1.00 . A A . 19 ALA HB3 1 1
1 239 1 1 18 ALA N N 24.437 -1.710 2.890 1.00 . A A . 19 ALA N 1 1
1 240 1 1 18 ALA O O 26.938 -2.319 0.409 1.00 . A A . 19 ALA O 1 1
1 241 1 1 19 LYS C C 25.148 -4.216 -1.087 1.00 . A A . 20 LYS C 1 1
1 242 1 1 19 LYS CA C 25.666 -4.702 0.270 1.00 . A A . 20 LYS CA 1 1
1 243 1 1 19 LYS CB C 24.839 -5.886 0.760 1.00 . A A . 20 LYS CB 1 1
1 244 1 1 19 LYS CD C 25.196 -8.339 1.068 1.00 . A A . 20 LYS CD 1 1
1 245 1 1 19 LYS CE C 26.324 -9.371 1.121 1.00 . A A . 20 LYS CE 1 1
1 246 1 1 19 LYS CG C 25.764 -6.948 1.357 1.00 . A A . 20 LYS CG 1 1
1 247 1 1 19 LYS H H 24.793 -3.820 2.017 1.00 . A A . 20 LYS H 1 1
1 248 1 1 19 LYS HA H 26.707 -4.974 0.210 1.00 . A A . 20 LYS HA 1 1
1 249 1 1 19 LYS HB2 H 24.141 -5.546 1.514 1.00 . A A . 20 LYS HB2 1 1
1 250 1 1 19 LYS HB3 H 24.292 -6.306 -0.067 1.00 . A A . 20 LYS HB3 1 1
1 251 1 1 19 LYS HD2 H 24.449 -8.583 1.808 1.00 . A A . 20 LYS HD2 1 1
1 252 1 1 19 LYS HD3 H 24.747 -8.347 0.086 1.00 . A A . 20 LYS HD3 1 1
1 253 1 1 19 LYS HE2 H 27.263 -8.890 1.350 1.00 . A A . 20 LYS HE2 1 1
1 254 1 1 19 LYS HE3 H 26.102 -10.133 1.855 1.00 . A A . 20 LYS HE3 1 1
1 255 1 1 19 LYS HG2 H 26.745 -6.861 0.914 1.00 . A A . 20 LYS HG2 1 1
1 256 1 1 19 LYS HG3 H 25.836 -6.803 2.424 1.00 . A A . 20 LYS HG3 1 1
1 257 1 1 19 LYS HZ1 H 25.395 -10.065 -0.608 1.00 . A A . 20 LYS HZ1 1 1
1 258 1 1 19 LYS HZ2 H 26.820 -10.898 -0.204 1.00 . A A . 20 LYS HZ2 1 1
1 259 1 1 19 LYS HZ3 H 26.905 -9.341 -0.878 1.00 . A A . 20 LYS HZ3 1 1
1 260 1 1 19 LYS N N 25.448 -3.661 1.308 1.00 . A A . 20 LYS N 1 1
1 261 1 1 19 LYS NZ N 26.364 -9.964 -0.245 1.00 . A A . 20 LYS NZ 1 1
1 262 1 1 19 LYS O O 25.813 -4.328 -2.098 1.00 . A A . 20 LYS O 1 1
1 263 1 1 20 THR C C 23.574 -1.685 -2.523 1.00 . A A . 21 THR C 1 1
1 264 1 1 20 THR CA C 23.370 -3.198 -2.391 1.00 . A A . 21 THR CA 1 1
1 265 1 1 20 THR CB C 21.880 -3.540 -2.270 1.00 . A A . 21 THR CB 1 1
1 266 1 1 20 THR CG2 C 21.041 -2.600 -3.142 1.00 . A A . 21 THR CG2 1 1
1 267 1 1 20 THR H H 23.440 -3.616 -0.281 1.00 . A A . 21 THR H 1 1
1 268 1 1 20 THR HA H 23.803 -3.716 -3.232 1.00 . A A . 21 THR HA 1 1
1 269 1 1 20 THR HB H 21.577 -3.429 -1.240 1.00 . A A . 21 THR HB 1 1
1 270 1 1 20 THR HG1 H 20.894 -5.215 -2.229 1.00 . A A . 21 THR HG1 1 1
1 271 1 1 20 THR HG21 H 20.093 -3.068 -3.368 1.00 . A A . 21 THR HG21 1 1
1 272 1 1 20 THR HG22 H 21.569 -2.393 -4.061 1.00 . A A . 21 THR HG22 1 1
1 273 1 1 20 THR HG23 H 20.868 -1.676 -2.609 1.00 . A A . 21 THR HG23 1 1
1 274 1 1 20 THR N N 23.957 -3.687 -1.110 1.00 . A A . 21 THR N 1 1
1 275 1 1 20 THR O O 23.337 -1.105 -3.564 1.00 . A A . 21 THR O 1 1
1 276 1 1 20 THR OG1 O 21.671 -4.882 -2.683 1.00 . A A . 21 THR OG1 1 1
1 277 1 1 21 CYS C C 25.590 0.817 -1.093 1.00 . A A . 22 CYS C 1 1
1 278 1 1 21 CYS CA C 24.181 0.439 -1.530 1.00 . A A . 22 CYS CA 1 1
1 279 1 1 21 CYS CB C 23.143 1.020 -0.566 1.00 . A A . 22 CYS CB 1 1
1 280 1 1 21 CYS H H 24.155 -1.526 -0.635 1.00 . A A . 22 CYS H 1 1
1 281 1 1 21 CYS HA H 23.989 0.808 -2.522 1.00 . A A . 22 CYS HA 1 1
1 282 1 1 21 CYS HB2 H 23.501 0.936 0.449 1.00 . A A . 22 CYS HB2 1 1
1 283 1 1 21 CYS HB3 H 22.976 2.061 -0.802 1.00 . A A . 22 CYS HB3 1 1
1 284 1 1 21 CYS N N 23.988 -1.041 -1.470 1.00 . A A . 22 CYS N 1 1
1 285 1 1 21 CYS O O 25.850 1.039 0.073 1.00 . A A . 22 CYS O 1 1
1 286 1 1 21 CYS SG S 21.592 0.105 -0.754 1.00 . A A . 22 CYS SG 1 1
1 287 1 1 22 SER C C 27.921 2.831 -1.439 1.00 . A A . 23 SER C 1 1
1 288 1 1 22 SER CA C 27.887 1.320 -1.655 1.00 . A A . 23 SER CA 1 1
1 289 1 1 22 SER CB C 28.748 0.933 -2.856 1.00 . A A . 23 SER CB 1 1
1 290 1 1 22 SER H H 26.267 0.760 -2.959 1.00 . A A . 23 SER H 1 1
1 291 1 1 22 SER HA H 28.211 0.797 -0.772 1.00 . A A . 23 SER HA 1 1
1 292 1 1 22 SER HB2 H 28.271 0.131 -3.399 1.00 . A A . 23 SER HB2 1 1
1 293 1 1 22 SER HB3 H 28.862 1.791 -3.505 1.00 . A A . 23 SER HB3 1 1
1 294 1 1 22 SER HG H 30.453 0.038 -3.126 1.00 . A A . 23 SER HG 1 1
1 295 1 1 22 SER N N 26.500 0.922 -2.021 1.00 . A A . 23 SER N 1 1
1 296 1 1 22 SER O O 28.742 3.532 -1.993 1.00 . A A . 23 SER O 1 1
1 297 1 1 22 SER OG O 30.026 0.506 -2.406 1.00 . A A . 23 SER OG 1 1
1 298 1 1 23 LYS C C 25.732 5.097 0.456 1.00 . A A . 24 LYS C 1 1
1 299 1 1 23 LYS CA C 26.944 4.794 -0.417 1.00 . A A . 24 LYS CA 1 1
1 300 1 1 23 LYS CB C 26.766 5.389 -1.804 1.00 . A A . 24 LYS CB 1 1
1 301 1 1 23 LYS CD C 28.398 5.498 -3.695 1.00 . A A . 24 LYS CD 1 1
1 302 1 1 23 LYS CE C 27.553 6.274 -4.707 1.00 . A A . 24 LYS CE 1 1
1 303 1 1 23 LYS CG C 28.086 5.998 -2.281 1.00 . A A . 24 LYS CG 1 1
1 304 1 1 23 LYS H H 26.353 2.750 -0.235 1.00 . A A . 24 LYS H 1 1
1 305 1 1 23 LYS HA H 27.846 5.160 0.029 1.00 . A A . 24 LYS HA 1 1
1 306 1 1 23 LYS HB2 H 26.472 4.605 -2.475 1.00 . A A . 24 LYS HB2 1 1
1 307 1 1 23 LYS HB3 H 26.001 6.151 -1.778 1.00 . A A . 24 LYS HB3 1 1
1 308 1 1 23 LYS HD2 H 29.445 5.651 -3.908 1.00 . A A . 24 LYS HD2 1 1
1 309 1 1 23 LYS HD3 H 28.167 4.443 -3.766 1.00 . A A . 24 LYS HD3 1 1
1 310 1 1 23 LYS HE2 H 26.502 6.121 -4.515 1.00 . A A . 24 LYS HE2 1 1
1 311 1 1 23 LYS HE3 H 27.794 7.326 -4.670 1.00 . A A . 24 LYS HE3 1 1
1 312 1 1 23 LYS HG2 H 28.003 7.074 -2.290 1.00 . A A . 24 LYS HG2 1 1
1 313 1 1 23 LYS HG3 H 28.881 5.703 -1.611 1.00 . A A . 24 LYS HG3 1 1
1 314 1 1 23 LYS HZ1 H 27.845 4.668 -6.000 1.00 . A A . 24 LYS HZ1 1 1
1 315 1 1 23 LYS HZ2 H 28.908 5.968 -6.259 1.00 . A A . 24 LYS HZ2 1 1
1 316 1 1 23 LYS HZ3 H 27.289 6.077 -6.763 1.00 . A A . 24 LYS HZ3 1 1
1 317 1 1 23 LYS N N 27.011 3.334 -0.656 1.00 . A A . 24 LYS N 1 1
1 318 1 1 23 LYS NZ N 27.927 5.703 -6.033 1.00 . A A . 24 LYS NZ 1 1
1 319 1 1 23 LYS O O 25.001 4.204 0.835 1.00 . A A . 24 LYS O 1 1
1 320 1 1 24 PRO C C 23.155 6.922 0.724 1.00 . A A . 25 PRO C 1 1
1 321 1 1 24 PRO CA C 24.420 6.772 1.576 1.00 . A A . 25 PRO CA 1 1
1 322 1 1 24 PRO CB C 24.876 8.118 2.127 1.00 . A A . 25 PRO CB 1 1
1 323 1 1 24 PRO CD C 26.394 7.471 0.329 1.00 . A A . 25 PRO CD 1 1
1 324 1 1 24 PRO CG C 25.889 8.635 1.144 1.00 . A A . 25 PRO CG 1 1
1 325 1 1 24 PRO HA H 24.257 6.076 2.383 1.00 . A A . 25 PRO HA 1 1
1 326 1 1 24 PRO HB2 H 24.040 8.797 2.193 1.00 . A A . 25 PRO HB2 1 1
1 327 1 1 24 PRO HB3 H 25.331 7.988 3.098 1.00 . A A . 25 PRO HB3 1 1
1 328 1 1 24 PRO HD2 H 26.269 7.667 -0.725 1.00 . A A . 25 PRO HD2 1 1
1 329 1 1 24 PRO HD3 H 27.431 7.272 0.556 1.00 . A A . 25 PRO HD3 1 1
1 330 1 1 24 PRO HG2 H 25.429 9.362 0.493 1.00 . A A . 25 PRO HG2 1 1
1 331 1 1 24 PRO HG3 H 26.713 9.086 1.674 1.00 . A A . 25 PRO HG3 1 1
1 332 1 1 24 PRO N N 25.556 6.347 0.744 1.00 . A A . 25 PRO N 1 1
1 333 1 1 24 PRO O O 22.569 7.984 0.656 1.00 . A A . 25 PRO O 1 1
1 334 1 1 25 CYS C C 20.424 6.775 -0.016 1.00 . A A . 26 CYS C 1 1
1 335 1 1 25 CYS CA C 21.487 5.960 -0.755 1.00 . A A . 26 CYS CA 1 1
1 336 1 1 25 CYS CB C 21.027 4.511 -0.980 1.00 . A A . 26 CYS CB 1 1
1 337 1 1 25 CYS H H 23.204 5.014 0.150 1.00 . A A . 26 CYS H 1 1
1 338 1 1 25 CYS HA H 21.715 6.422 -1.703 1.00 . A A . 26 CYS HA 1 1
1 339 1 1 25 CYS HB2 H 21.376 3.892 -0.168 1.00 . A A . 26 CYS HB2 1 1
1 340 1 1 25 CYS HB3 H 19.949 4.474 -1.031 1.00 . A A . 26 CYS HB3 1 1
1 341 1 1 25 CYS N N 22.722 5.865 0.079 1.00 . A A . 26 CYS N 1 1
1 342 1 1 25 CYS O O 19.848 6.330 0.956 1.00 . A A . 26 CYS O 1 1
1 343 1 1 25 CYS SG S 21.731 3.901 -2.528 1.00 . A A . 26 CYS SG 1 1
1 344 1 1 26 SER C C 17.789 8.200 0.188 1.00 . A A . 27 SER C 1 1
1 345 1 1 26 SER CA C 19.173 8.851 0.206 1.00 . A A . 27 SER CA 1 1
1 346 1 1 26 SER CB C 19.164 10.144 -0.611 1.00 . A A . 27 SER CB 1 1
1 347 1 1 26 SER H H 20.672 8.316 -1.244 1.00 . A A . 27 SER H 1 1
1 348 1 1 26 SER HA H 19.475 9.062 1.219 1.00 . A A . 27 SER HA 1 1
1 349 1 1 26 SER HB2 H 18.528 10.020 -1.475 1.00 . A A . 27 SER HB2 1 1
1 350 1 1 26 SER HB3 H 18.790 10.952 -0.001 1.00 . A A . 27 SER HB3 1 1
1 351 1 1 26 SER HG H 20.428 10.996 -1.818 1.00 . A A . 27 SER HG 1 1
1 352 1 1 26 SER N N 20.180 7.979 -0.467 1.00 . A A . 27 SER N 1 1
1 353 1 1 26 SER O O 16.902 8.620 -0.528 1.00 . A A . 27 SER O 1 1
1 354 1 1 26 SER OG O 20.486 10.444 -1.035 1.00 . A A . 27 SER OG 1 1
1 355 1 1 27 CYS C C 16.292 5.317 1.977 1.00 . A A . 28 CYS C 1 1
1 356 1 1 27 CYS CA C 16.266 6.504 1.010 1.00 . A A . 28 CYS CA 1 1
1 357 1 1 27 CYS CB C 15.983 6.030 -0.422 1.00 . A A . 28 CYS CB 1 1
1 358 1 1 27 CYS H H 18.328 6.860 1.546 1.00 . A A . 28 CYS H 1 1
1 359 1 1 27 CYS HA H 15.506 7.207 1.314 1.00 . A A . 28 CYS HA 1 1
1 360 1 1 27 CYS HB2 H 15.318 5.181 -0.391 1.00 . A A . 28 CYS HB2 1 1
1 361 1 1 27 CYS HB3 H 15.514 6.831 -0.975 1.00 . A A . 28 CYS HB3 1 1
1 362 1 1 27 CYS N N 17.597 7.180 0.975 1.00 . A A . 28 CYS N 1 1
1 363 1 1 27 CYS O O 15.273 4.931 2.515 1.00 . A A . 28 CYS O 1 1
1 364 1 1 27 CYS SG S 17.522 5.552 -1.247 1.00 . A A . 28 CYS SG 1 1
1 365 1 1 28 CYS C C 17.280 4.193 4.601 1.00 . A A . 29 CYS C 1 1
1 366 1 1 28 CYS CA C 17.478 3.605 3.189 1.00 . A A . 29 CYS CA 1 1
1 367 1 1 28 CYS CB C 18.855 2.932 3.061 1.00 . A A . 29 CYS CB 1 1
1 368 1 1 28 CYS H H 18.257 5.075 1.809 1.00 . A A . 29 CYS H 1 1
1 369 1 1 28 CYS HA H 16.694 2.899 2.968 1.00 . A A . 29 CYS HA 1 1
1 370 1 1 28 CYS HB2 H 19.516 3.333 3.806 1.00 . A A . 29 CYS HB2 1 1
1 371 1 1 28 CYS HB3 H 18.731 1.875 3.255 1.00 . A A . 29 CYS HB3 1 1
1 372 1 1 28 CYS N N 17.440 4.745 2.228 1.00 . A A . 29 CYS N 1 1
1 373 1 1 28 CYS O O 16.788 5.298 4.717 1.00 . A A . 29 CYS O 1 1
1 374 1 1 28 CYS SG S 19.630 3.133 1.424 1.00 . A A . 29 CYS SG 1 1
1 375 1 1 29 PRO C C 18.490 5.127 7.292 1.00 . A A . 30 PRO C 1 1
1 376 1 1 29 PRO CA C 17.468 4.021 7.014 1.00 . A A . 30 PRO CA 1 1
1 377 1 1 29 PRO CB C 17.723 2.827 7.922 1.00 . A A . 30 PRO CB 1 1
1 378 1 1 29 PRO CD C 18.250 2.127 5.673 1.00 . A A . 30 PRO CD 1 1
1 379 1 1 29 PRO CG C 18.609 1.932 7.125 1.00 . A A . 30 PRO CG 1 1
1 380 1 1 29 PRO HA H 16.463 4.386 7.149 1.00 . A A . 30 PRO HA 1 1
1 381 1 1 29 PRO HB2 H 18.222 3.141 8.827 1.00 . A A . 30 PRO HB2 1 1
1 382 1 1 29 PRO HB3 H 16.795 2.327 8.156 1.00 . A A . 30 PRO HB3 1 1
1 383 1 1 29 PRO HD2 H 19.140 2.081 5.074 1.00 . A A . 30 PRO HD2 1 1
1 384 1 1 29 PRO HD3 H 17.534 1.386 5.353 1.00 . A A . 30 PRO HD3 1 1
1 385 1 1 29 PRO HG2 H 19.640 2.211 7.282 1.00 . A A . 30 PRO HG2 1 1
1 386 1 1 29 PRO HG3 H 18.458 0.907 7.416 1.00 . A A . 30 PRO HG3 1 1
1 387 1 1 29 PRO N N 17.651 3.473 5.642 1.00 . A A . 30 PRO N 1 1
1 388 1 1 29 PRO O O 19.219 5.082 8.263 1.00 . A A . 30 PRO O 1 1
1 389 1 1 30 THR C C 18.814 8.579 6.584 1.00 . A A . 31 THR C 1 1
1 390 1 1 30 THR CA C 19.525 7.225 6.665 1.00 . A A . 31 THR CA 1 1
1 391 1 1 30 THR CB C 20.542 7.085 5.531 1.00 . A A . 31 THR CB 1 1
1 392 1 1 30 THR CG2 C 21.163 5.688 5.569 1.00 . A A . 31 THR CG2 1 1
1 393 1 1 30 THR H H 17.954 6.133 5.674 1.00 . A A . 31 THR H 1 1
1 394 1 1 30 THR HA H 20.018 7.113 7.617 1.00 . A A . 31 THR HA 1 1
1 395 1 1 30 THR HB H 21.320 7.823 5.651 1.00 . A A . 31 THR HB 1 1
1 396 1 1 30 THR HG1 H 20.410 6.849 3.604 1.00 . A A . 31 THR HG1 1 1
1 397 1 1 30 THR HG21 H 21.967 5.671 6.290 1.00 . A A . 31 THR HG21 1 1
1 398 1 1 30 THR HG22 H 21.550 5.439 4.592 1.00 . A A . 31 THR HG22 1 1
1 399 1 1 30 THR HG23 H 20.410 4.967 5.852 1.00 . A A . 31 THR HG23 1 1
1 400 1 1 30 THR N N 18.550 6.118 6.449 1.00 . A A . 31 THR N 1 1
1 401 1 1 30 THR O O 17.612 8.608 6.792 1.00 . A A . 31 THR O 1 1
1 402 1 1 30 THR OXT O 19.484 9.563 6.317 1.00 . A A . 31 THR OXT 1 1
1 403 1 1 30 THR OG1 O 19.888 7.281 4.284 1.00 . A A . 31 THR OG1 1 1
1 404 2 2 1 CD CD CD 20.527 0.755 1.465 1.00 . B A . 32 CD CD 1 1
1 405 3 2 1 CD CD CD 17.661 3.226 -0.218 1.00 . C A . 33 CD CD 1 1
1 406 4 2 1 CD CD CD 20.621 1.588 -2.569 1.00 . D A . 34 CD CD 1 1
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