Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
400603 | 1v4z RC | 6017 | cing | 4-filtered-FRED | STAR | entry | full | 174 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1v4z
# This FRED archive file contains, for PDB entry <1v4z>:
#
# - 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_1v4z
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1v4z
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all free"
_Assembly.Molecular_mass 1874.10
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 $Calgizzarin A . 1 1
stop_
save_
save_Calgizzarin
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name Calgizzarin
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code MAKISSPTETERCIESLIA
_Entity.Number_of_monomers 19
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 MET . 1 1
2 ALA . 1 1
3 LYS . 1 1
4 ILE . 1 1
5 SER . 1 1
6 SER . 1 1
7 PRO . 1 1
8 THR . 1 1
9 GLU . 1 1
10 THR . 1 1
11 GLU . 1 1
12 ARG . 1 1
13 CYS . 1 1
14 ILE . 1 1
15 GLU . 1 1
16 SER . 1 1
17 LEU . 1 1
18 ILE . 1 1
19 ALA . 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
MET 1 1 1 1
ALA 2 2 1 1
LYS 3 3 1 1
ILE 4 4 1 1
SER 5 5 1 1
SER 6 6 1 1
PRO 7 7 1 1
THR 8 8 1 1
GLU 9 9 1 1
THR 10 10 1 1
GLU 11 11 1 1
ARG 12 12 1 1
CYS 13 13 1 1
ILE 14 14 1 1
GLU 15 15 1 1
SER 16 16 1 1
LEU 17 17 1 1
ILE 18 18 1 1
ALA 19 19 1 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
16 1 . . . 1 1
17 1 . . . 1 1
18 1 . . . 1 1
19 1 . . . 1 1
20 1 . . . 1 1
21 1 . . . 1 1
22 1 . . . 1 1
23 1 . . . 1 1
24 1 . . . 1 1
25 1 . . . 1 1
26 1 . . . 1 1
27 1 . . . 1 1
28 1 . . . 1 1
29 1 . . . 1 1
30 1 . . . 1 1
31 1 . . . 1 1
32 1 . . . 1 1
33 1 . . . 1 1
34 1 . . . 1 1
35 1 . . . 1 1
36 1 . . . 1 1
37 1 . . . 1 1
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 3 LYS H . 1 . HN 1 1
1 1 2 1 1 3 LYS HB2 . 1 . HB1 1 1
2 1 1 1 1 3 LYS H . 1 . HN 1 1
2 1 2 1 1 3 LYS HB3 . 1 . HB2 1 1
3 1 1 1 1 3 LYS H . 1 . HN 1 1
3 1 2 1 1 3 LYS QG . 1 . HG* 1 1
4 1 1 1 1 3 LYS HA . 1 . HA 1 1
4 1 2 1 1 4 ILE H . 2 . HN 1 1
5 1 1 1 1 3 LYS HB3 . 1 . HB2 1 1
5 1 2 1 1 4 ILE H . 2 . HN 1 1
6 1 1 1 1 3 LYS QG . 1 . HG* 1 1
6 1 2 1 1 4 ILE H . 2 . HN 1 1
7 1 1 1 1 4 ILE H . 2 . HN 1 1
7 1 2 1 1 4 ILE HB . 2 . HB 1 1
8 1 1 1 1 4 ILE H . 2 . HN 1 1
8 1 2 1 1 4 ILE MD . 2 . HD1* 1 1
9 1 1 1 1 4 ILE H . 2 . HN 1 1
9 1 2 1 1 4 ILE HG12 . 2 . HG12 1 1
10 1 1 1 1 4 ILE H . 2 . HN 1 1
10 1 2 1 1 4 ILE HG13 . 2 . HG11 1 1
11 1 1 1 1 4 ILE H . 2 . HN 1 1
11 1 2 1 1 4 ILE MG . 2 . HG2* 1 1
12 1 1 1 1 4 ILE HA . 2 . HA 1 1
12 1 2 1 1 5 SER H . 3 . HN 1 1
13 1 1 1 1 4 ILE HA . 2 . HA 1 1
13 1 2 1 1 6 SER H . 4 . HN 1 1
14 1 1 1 1 4 ILE HB . 2 . HB 1 1
14 1 2 1 1 5 SER H . 3 . HN 1 1
15 1 1 1 1 4 ILE HG12 . 2 . HG12 1 1
15 1 2 1 1 5 SER H . 3 . HN 1 1
16 1 1 1 1 4 ILE MG . 2 . HG2* 1 1
16 1 2 1 1 5 SER H . 3 . HN 1 1
17 1 1 1 1 4 ILE MG . 2 . HG2* 1 1
17 1 2 1 1 6 SER H . 4 . HN 1 1
18 1 1 1 1 5 SER H . 3 . HN 1 1
18 1 2 1 1 5 SER QB . 3 . HB* 1 1
19 1 1 1 1 5 SER H . 3 . HN 1 1
19 1 2 1 1 6 SER H . 4 . HN 1 1
20 1 1 1 1 5 SER HA . 3 . HA 1 1
20 1 2 1 1 5 SER QB . 3 . HB* 1 1
21 1 1 1 1 5 SER HA . 3 . HA 1 1
21 1 2 1 1 6 SER H . 4 . HN 1 1
22 1 1 1 1 5 SER QB . 3 . HB* 1 1
22 1 2 1 1 6 SER H . 4 . HN 1 1
23 1 1 1 1 6 SER H . 4 . HN 1 1
23 1 2 1 1 6 SER HB2 . 4 . HB2 1 1
24 1 1 1 1 6 SER H . 4 . HN 1 1
24 1 2 1 1 6 SER HB3 . 4 . HB1 1 1
25 1 1 1 1 6 SER H . 4 . HN 1 1
25 1 2 1 1 9 GLU QB . 7 . HB* 1 1
26 1 1 1 1 6 SER H . 4 . HN 1 1
26 1 2 1 1 9 GLU QG . 7 . HG* 1 1
27 1 1 1 1 6 SER HA . 4 . HA 1 1
27 1 2 1 1 6 SER HB2 . 4 . HB2 1 1
28 1 1 1 1 6 SER HA . 4 . HA 1 1
28 1 2 1 1 6 SER HB3 . 4 . HB1 1 1
29 1 1 1 1 6 SER HA . 4 . HA 1 1
29 1 2 1 1 7 PRO QD . 5 . HD* 1 1
30 1 1 1 1 6 SER HA . 4 . HA 1 1
30 1 2 1 1 7 PRO HG2 . 5 . HG2 1 1
31 1 1 1 1 6 SER HB3 . 4 . HB1 1 1
31 1 2 1 1 8 THR H . 6 . HN 1 1
32 1 1 1 1 7 PRO HA . 5 . HA 1 1
32 1 2 1 1 8 THR H . 6 . HN 1 1
33 1 1 1 1 7 PRO HA . 5 . HA 1 1
33 1 2 1 1 10 THR HB . 8 . HB 1 1
34 1 1 1 1 7 PRO HA . 5 . HA 1 1
34 1 2 1 1 10 THR MG . 8 . HG2* 1 1
35 1 1 1 1 7 PRO HB2 . 5 . HB2 1 1
35 1 2 1 1 8 THR H . 6 . HN 1 1
36 1 1 1 1 7 PRO QD . 5 . HD* 1 1
36 1 2 1 1 8 THR H . 6 . HN 1 1
37 1 1 1 1 7 PRO HG2 . 5 . HG2 1 1
37 1 2 1 1 8 THR H . 6 . HN 1 1
38 1 1 1 1 7 PRO HG3 . 5 . HG1 1 1
38 1 2 1 1 8 THR H . 6 . HN 1 1
39 1 1 1 1 8 THR H . 6 . HN 1 1
39 1 2 1 1 8 THR HA . 6 . HA 1 1
40 1 1 1 1 8 THR H . 6 . HN 1 1
40 1 2 1 1 8 THR HB . 6 . HB 1 1
41 1 1 1 1 8 THR H . 6 . HN 1 1
41 1 2 1 1 8 THR MG . 6 . HG2* 1 1
42 1 1 1 1 8 THR H . 6 . HN 1 1
42 1 2 1 1 9 GLU H . 7 . HN 1 1
43 1 1 1 1 8 THR HA . 6 . HA 1 1
43 1 2 1 1 8 THR MG . 6 . HG2* 1 1
44 1 1 1 1 8 THR HA . 6 . HA 1 1
44 1 2 1 1 9 GLU H . 7 . HN 1 1
45 1 1 1 1 8 THR HA . 6 . HA 1 1
45 1 2 1 1 11 GLU H . 9 . HN 1 1
46 1 1 1 1 8 THR HA . 6 . HA 1 1
46 1 2 1 1 11 GLU QB . 9 . HB* 1 1
47 1 1 1 1 8 THR HB . 6 . HB 1 1
47 1 2 1 1 9 GLU H . 7 . HN 1 1
48 1 1 1 1 8 THR MG . 6 . HG2* 1 1
48 1 2 1 1 9 GLU H . 7 . HN 1 1
49 1 1 1 1 9 GLU H . 7 . HN 1 1
49 1 2 1 1 9 GLU HA . 7 . HA 1 1
50 1 1 1 1 9 GLU H . 7 . HN 1 1
50 1 2 1 1 9 GLU QB . 7 . HB* 1 1
51 1 1 1 1 9 GLU H . 7 . HN 1 1
51 1 2 1 1 9 GLU QG . 7 . HG* 1 1
52 1 1 1 1 9 GLU H . 7 . HN 1 1
52 1 2 1 1 10 THR H . 8 . HN 1 1
53 1 1 1 1 9 GLU HA . 7 . HA 1 1
53 1 2 1 1 9 GLU QB . 7 . HB* 1 1
54 1 1 1 1 9 GLU HA . 7 . HA 1 1
54 1 2 1 1 9 GLU QG . 7 . HG* 1 1
55 1 1 1 1 9 GLU HA . 7 . HA 1 1
55 1 2 1 1 12 ARG H . 10 . HN 1 1
56 1 1 1 1 9 GLU HA . 7 . HA 1 1
56 1 2 1 1 12 ARG QB . 10 . HB* 1 1
57 1 1 1 1 9 GLU QB . 7 . HB* 1 1
57 1 2 1 1 10 THR H . 8 . HN 1 1
58 1 1 1 1 9 GLU QG . 7 . HG* 1 1
58 1 2 1 1 10 THR H . 8 . HN 1 1
59 1 1 1 1 10 THR H . 8 . HN 1 1
59 1 2 1 1 10 THR HA . 8 . HA 1 1
60 1 1 1 1 10 THR H . 8 . HN 1 1
60 1 2 1 1 10 THR HB . 8 . HB 1 1
61 1 1 1 1 10 THR H . 8 . HN 1 1
61 1 2 1 1 10 THR MG . 8 . HG2* 1 1
62 1 1 1 1 10 THR H . 8 . HN 1 1
62 1 2 1 1 11 GLU H . 9 . HN 1 1
63 1 1 1 1 10 THR HA . 8 . HA 1 1
63 1 2 1 1 10 THR HB . 8 . HB 1 1
64 1 1 1 1 10 THR HA . 8 . HA 1 1
64 1 2 1 1 10 THR MG . 8 . HG2* 1 1
65 1 1 1 1 10 THR HA . 8 . HA 1 1
65 1 2 1 1 13 CYS H . 11 . HN 1 1
66 1 1 1 1 10 THR HA . 8 . HA 1 1
66 1 2 1 1 13 CYS HB2 . 11 . HB2 1 1
67 1 1 1 1 10 THR HA . 8 . HA 1 1
67 1 2 1 1 13 CYS HB3 . 11 . HB1 1 1
68 1 1 1 1 10 THR HB . 8 . HB 1 1
68 1 2 1 1 11 GLU H . 9 . HN 1 1
69 1 1 1 1 10 THR MG . 8 . HG2* 1 1
69 1 2 1 1 11 GLU H . 9 . HN 1 1
70 1 1 1 1 10 THR MG . 8 . HG2* 1 1
70 1 2 1 1 13 CYS H . 11 . HN 1 1
71 1 1 1 1 11 GLU H . 9 . HN 1 1
71 1 2 1 1 11 GLU HA . 9 . HA 1 1
72 1 1 1 1 11 GLU H . 9 . HN 1 1
72 1 2 1 1 11 GLU QB . 9 . HB* 1 1
73 1 1 1 1 11 GLU H . 9 . HN 1 1
73 1 2 1 1 11 GLU QG . 9 . HG* 1 1
74 1 1 1 1 11 GLU H . 9 . HN 1 1
74 1 2 1 1 12 ARG H . 10 . HN 1 1
75 1 1 1 1 11 GLU HA . 9 . HA 1 1
75 1 2 1 1 11 GLU QB . 9 . HB* 1 1
76 1 1 1 1 11 GLU HA . 9 . HA 1 1
76 1 2 1 1 11 GLU QG . 9 . HG* 1 1
77 1 1 1 1 11 GLU HA . 9 . HA 1 1
77 1 2 1 1 12 ARG H . 10 . HN 1 1
78 1 1 1 1 11 GLU HA . 9 . HA 1 1
78 1 2 1 1 14 ILE H . 12 . HN 1 1
79 1 1 1 1 11 GLU HA . 9 . HA 1 1
79 1 2 1 1 14 ILE HB . 12 . HB 1 1
80 1 1 1 1 11 GLU HA . 9 . HA 1 1
80 1 2 1 1 14 ILE MD . 12 . HD1* 1 1
81 1 1 1 1 11 GLU HA . 9 . HA 1 1
81 1 2 1 1 14 ILE HG13 . 12 . HG11 1 1
82 1 1 1 1 11 GLU HA . 9 . HA 1 1
82 1 2 1 1 14 ILE MG . 12 . HG2* 1 1
83 1 1 1 1 11 GLU QB . 9 . HB* 1 1
83 1 2 1 1 12 ARG H . 10 . HN 1 1
84 1 1 1 1 11 GLU QG . 9 . HG* 1 1
84 1 2 1 1 12 ARG H . 10 . HN 1 1
85 1 1 1 1 12 ARG H . 10 . HN 1 1
85 1 2 1 1 12 ARG HA . 10 . HA 1 1
86 1 1 1 1 12 ARG H . 10 . HN 1 1
86 1 2 1 1 12 ARG QB . 10 . HB* 1 1
87 1 1 1 1 12 ARG H . 10 . HN 1 1
87 1 2 1 1 12 ARG QD . 10 . HD* 1 1
88 1 1 1 1 12 ARG H . 10 . HN 1 1
88 1 2 1 1 12 ARG QG . 10 . HG* 1 1
89 1 1 1 1 12 ARG H . 10 . HN 1 1
89 1 2 1 1 13 CYS H . 11 . HN 1 1
90 1 1 1 1 12 ARG HA . 10 . HA 1 1
90 1 2 1 1 12 ARG QD . 10 . HD* 1 1
91 1 1 1 1 12 ARG HA . 10 . HA 1 1
91 1 2 1 1 12 ARG QG . 10 . HG* 1 1
92 1 1 1 1 12 ARG HA . 10 . HA 1 1
92 1 2 1 1 13 CYS H . 11 . HN 1 1
93 1 1 1 1 12 ARG HA . 10 . HA 1 1
93 1 2 1 1 15 GLU H . 13 . HN 1 1
94 1 1 1 1 12 ARG HA . 10 . HA 1 1
94 1 2 1 1 15 GLU QB . 13 . HB* 1 1
95 1 1 1 1 12 ARG QB . 10 . HB* 1 1
95 1 2 1 1 12 ARG QD . 10 . HD* 1 1
96 1 1 1 1 12 ARG QB . 10 . HB* 1 1
96 1 2 1 1 12 ARG HE . 10 . HE 1 1
97 1 1 1 1 12 ARG QB . 10 . HB* 1 1
97 1 2 1 1 13 CYS H . 11 . HN 1 1
98 1 1 1 1 12 ARG HE . 10 . HE 1 1
98 1 2 1 1 12 ARG QG . 10 . HG* 1 1
99 1 1 1 1 13 CYS H . 11 . HN 1 1
99 1 2 1 1 13 CYS HA . 11 . HA 1 1
100 1 1 1 1 13 CYS H . 11 . HN 1 1
100 1 2 1 1 13 CYS HB2 . 11 . HB2 1 1
101 1 1 1 1 13 CYS H . 11 . HN 1 1
101 1 2 1 1 13 CYS HB3 . 11 . HB1 1 1
102 1 1 1 1 13 CYS H . 11 . HN 1 1
102 1 2 1 1 14 ILE H . 12 . HN 1 1
103 1 1 1 1 13 CYS HA . 11 . HA 1 1
103 1 2 1 1 14 ILE H . 12 . HN 1 1
104 1 1 1 1 13 CYS HA . 11 . HA 1 1
104 1 2 1 1 16 SER H . 14 . HN 1 1
105 1 1 1 1 13 CYS HA . 11 . HA 1 1
105 1 2 1 1 16 SER HB3 . 14 . HB1 1 1
106 1 1 1 1 13 CYS HB2 . 11 . HB2 1 1
106 1 2 1 1 14 ILE H . 12 . HN 1 1
107 1 1 1 1 13 CYS HB3 . 11 . HB1 1 1
107 1 2 1 1 14 ILE H . 12 . HN 1 1
108 1 1 1 1 14 ILE H . 12 . HN 1 1
108 1 2 1 1 14 ILE HA . 12 . HA 1 1
109 1 1 1 1 14 ILE H . 12 . HN 1 1
109 1 2 1 1 14 ILE HB . 12 . HB 1 1
110 1 1 1 1 14 ILE H . 12 . HN 1 1
110 1 2 1 1 14 ILE MD . 12 . HD1* 1 1
111 1 1 1 1 14 ILE H . 12 . HN 1 1
111 1 2 1 1 14 ILE HG12 . 12 . HG12 1 1
112 1 1 1 1 14 ILE H . 12 . HN 1 1
112 1 2 1 1 14 ILE HG13 . 12 . HG11 1 1
113 1 1 1 1 14 ILE H . 12 . HN 1 1
113 1 2 1 1 15 GLU H . 13 . HN 1 1
114 1 1 1 1 14 ILE HA . 12 . HA 1 1
114 1 2 1 1 14 ILE HB . 12 . HB 1 1
115 1 1 1 1 14 ILE HA . 12 . HA 1 1
115 1 2 1 1 14 ILE HG12 . 12 . HG12 1 1
116 1 1 1 1 14 ILE HA . 12 . HA 1 1
116 1 2 1 1 14 ILE HG13 . 12 . HG11 1 1
117 1 1 1 1 14 ILE HA . 12 . HA 1 1
117 1 2 1 1 14 ILE MG . 12 . HG2* 1 1
118 1 1 1 1 14 ILE HA . 12 . HA 1 1
118 1 2 1 1 15 GLU H . 13 . HN 1 1
119 1 1 1 1 14 ILE HA . 12 . HA 1 1
119 1 2 1 1 17 LEU H . 15 . HN 1 1
120 1 1 1 1 14 ILE HA . 12 . HA 1 1
120 1 2 1 1 17 LEU HG . 15 . HG 1 1
121 1 1 1 1 14 ILE HB . 12 . HB 1 1
121 1 2 1 1 15 GLU H . 13 . HN 1 1
122 1 1 1 1 14 ILE MD . 12 . HD1* 1 1
122 1 2 1 1 15 GLU H . 13 . HN 1 1
123 1 1 1 1 14 ILE HG12 . 12 . HG12 1 1
123 1 2 1 1 15 GLU H . 13 . HN 1 1
124 1 1 1 1 14 ILE HG13 . 12 . HG11 1 1
124 1 2 1 1 15 GLU H . 13 . HN 1 1
125 1 1 1 1 14 ILE MG . 12 . HG2* 1 1
125 1 2 1 1 15 GLU H . 13 . HN 1 1
126 1 1 1 1 15 GLU H . 13 . HN 1 1
126 1 2 1 1 15 GLU HA . 13 . HA 1 1
127 1 1 1 1 15 GLU H . 13 . HN 1 1
127 1 2 1 1 15 GLU QB . 13 . HB* 1 1
128 1 1 1 1 15 GLU H . 13 . HN 1 1
128 1 2 1 1 15 GLU HG2 . 13 . HG2 1 1
129 1 1 1 1 15 GLU H . 13 . HN 1 1
129 1 2 1 1 15 GLU HG3 . 13 . HG1 1 1
130 1 1 1 1 15 GLU H . 13 . HN 1 1
130 1 2 1 1 16 SER H . 14 . HN 1 1
131 1 1 1 1 15 GLU HA . 13 . HA 1 1
131 1 2 1 1 15 GLU QB . 13 . HB* 1 1
132 1 1 1 1 15 GLU HA . 13 . HA 1 1
132 1 2 1 1 15 GLU HG2 . 13 . HG2 1 1
133 1 1 1 1 15 GLU HA . 13 . HA 1 1
133 1 2 1 1 15 GLU HG3 . 13 . HG1 1 1
134 1 1 1 1 15 GLU HA . 13 . HA 1 1
134 1 2 1 1 18 ILE H . 16 . HN 1 1
135 1 1 1 1 15 GLU HA . 13 . HA 1 1
135 1 2 1 1 18 ILE HB . 16 . HB 1 1
136 1 1 1 1 15 GLU HA . 13 . HA 1 1
136 1 2 1 1 18 ILE MD . 16 . HD1* 1 1
137 1 1 1 1 15 GLU HA . 13 . HA 1 1
137 1 2 1 1 18 ILE HG12 . 16 . HG12 1 1
138 1 1 1 1 15 GLU HA . 13 . HA 1 1
138 1 2 1 1 18 ILE HG13 . 16 . HG11 1 1
139 1 1 1 1 15 GLU HA . 13 . HA 1 1
139 1 2 1 1 18 ILE MG . 16 . HG2* 1 1
140 1 1 1 1 15 GLU QB . 13 . HB* 1 1
140 1 2 1 1 16 SER H . 14 . HN 1 1
141 1 1 1 1 15 GLU HG2 . 13 . HG2 1 1
141 1 2 1 1 16 SER H . 14 . HN 1 1
142 1 1 1 1 15 GLU HG3 . 13 . HG1 1 1
142 1 2 1 1 16 SER H . 14 . HN 1 1
143 1 1 1 1 16 SER H . 14 . HN 1 1
143 1 2 1 1 16 SER HA . 14 . HA 1 1
144 1 1 1 1 16 SER H . 14 . HN 1 1
144 1 2 1 1 16 SER HB2 . 14 . HB2 1 1
145 1 1 1 1 16 SER H . 14 . HN 1 1
145 1 2 1 1 16 SER HB3 . 14 . HB1 1 1
146 1 1 1 1 16 SER HA . 14 . HA 1 1
146 1 2 1 1 16 SER HB2 . 14 . HB2 1 1
147 1 1 1 1 16 SER HA . 14 . HA 1 1
147 1 2 1 1 16 SER HB3 . 14 . HB1 1 1
148 1 1 1 1 16 SER HA . 14 . HA 1 1
148 1 2 1 1 19 ALA MB . 17 . HB* 1 1
149 1 1 1 1 16 SER HB3 . 14 . HB1 1 1
149 1 2 1 1 17 LEU H . 15 . HN 1 1
150 1 1 1 1 17 LEU H . 15 . HN 1 1
150 1 2 1 1 17 LEU HA . 15 . HA 1 1
151 1 1 1 1 17 LEU H . 15 . HN 1 1
151 1 2 1 1 17 LEU HB2 . 15 . HB2 1 1
152 1 1 1 1 17 LEU H . 15 . HN 1 1
152 1 2 1 1 17 LEU HB3 . 15 . HB1 1 1
153 1 1 1 1 17 LEU H . 15 . HN 1 1
153 1 2 1 1 17 LEU MD1 . 15 . HD1* 1 1
154 1 1 1 1 17 LEU H . 15 . HN 1 1
154 1 2 1 1 17 LEU MD2 . 15 . HD2* 1 1
155 1 1 1 1 17 LEU H . 15 . HN 1 1
155 1 2 1 1 17 LEU HG . 15 . HG 1 1
156 1 1 1 1 17 LEU H . 15 . HN 1 1
156 1 2 1 1 18 ILE H . 16 . HN 1 1
157 1 1 1 1 17 LEU HA . 15 . HA 1 1
157 1 2 1 1 17 LEU HB2 . 15 . HB2 1 1
158 1 1 1 1 17 LEU HA . 15 . HA 1 1
158 1 2 1 1 17 LEU HB3 . 15 . HB1 1 1
159 1 1 1 1 17 LEU HA . 15 . HA 1 1
159 1 2 1 1 17 LEU MD2 . 15 . HD2* 1 1
160 1 1 1 1 17 LEU HA . 15 . HA 1 1
160 1 2 1 1 17 LEU HG . 15 . HG 1 1
161 1 1 1 1 17 LEU HA . 15 . HA 1 1
161 1 2 1 1 18 ILE H . 16 . HN 1 1
162 1 1 1 1 17 LEU HB2 . 15 . HB2 1 1
162 1 2 1 1 18 ILE H . 16 . HN 1 1
163 1 1 1 1 17 LEU HB3 . 15 . HB1 1 1
163 1 2 1 1 18 ILE H . 16 . HN 1 1
164 1 1 1 1 17 LEU HG . 15 . HG 1 1
164 1 2 1 1 18 ILE H . 16 . HN 1 1
165 1 1 1 1 18 ILE H . 16 . HN 1 1
165 1 2 1 1 18 ILE HA . 16 . HA 1 1
166 1 1 1 1 18 ILE H . 16 . HN 1 1
166 1 2 1 1 18 ILE HB . 16 . HB 1 1
167 1 1 1 1 18 ILE H . 16 . HN 1 1
167 1 2 1 1 18 ILE MD . 16 . HD1* 1 1
168 1 1 1 1 18 ILE H . 16 . HN 1 1
168 1 2 1 1 18 ILE HG12 . 16 . HG12 1 1
169 1 1 1 1 18 ILE H . 16 . HN 1 1
169 1 2 1 1 18 ILE HG13 . 16 . HG11 1 1
170 1 1 1 1 18 ILE HA . 16 . HA 1 1
170 1 2 1 1 18 ILE HG12 . 16 . HG12 1 1
171 1 1 1 1 18 ILE HA . 16 . HA 1 1
171 1 2 1 1 18 ILE MG . 16 . HG2* 1 1
172 1 1 1 1 18 ILE MG . 16 . HG2* 1 1
172 1 2 1 1 19 ALA H . 17 . HN 1 1
173 1 1 1 1 19 ALA H . 17 . HN 1 1
173 1 2 1 1 19 ALA HA . 17 . HA 1 1
174 1 1 1 1 19 ALA H . 17 . HN 1 1
174 1 2 1 1 19 ALA MB . 17 . HB* 1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 3.58 2.87 4.29 1 1
2 1 . . . . . 3.35 2.7 4.0 1 1
3 1 . . . . . 3.56 2.75 4.37 1 1
4 1 . . . . . 2.79 2.26 3.31 1 1
5 1 . . . . . 3.75 3.0 4.5 1 1
6 1 . . . . . 4.01 3.07 4.95 1 1
7 1 . . . . . 2.87 2.32 3.41 1 1
8 1 . . . . . 4.45 3.29 5.6 1 1
9 1 . . . . . 3.33 2.68 3.98 1 1
10 1 . . . . . 3.48 2.8 4.16 1 1
11 1 . . . . . 3.75 2.81 4.68 1 1
12 1 . . . . . 2.55 2.07 3.03 1 1
13 1 . . . . . 4.46 3.45 5.48 1 1
14 1 . . . . . 3.43 2.76 4.1 1 1
15 1 . . . . . 4.21 3.3 5.12 1 1
16 1 . . . . . 3.66 2.74 4.58 1 1
17 1 . . . . . 4.39 3.26 5.52 1 1
18 1 . . . . . 3.2 2.46 3.93 1 1
19 1 . . . . . 3.54 2.84 4.24 1 1
20 1 . . . . . 2.58 1.94 3.21 1 1
21 1 . . . . . 3.76 3.0 4.52 1 1
22 1 . . . . . 3.49 2.69 4.28 1 1
23 1 . . . . . 3.41 2.74 4.08 1 1
24 1 . . . . . 3.6 2.89 4.31 1 1
25 1 . . . . . 3.71 2.86 4.56 1 1
26 1 . . . . . 4.24 3.22 5.25 1 1
27 1 . . . . . 2.1 1.7 2.5 1 1
28 1 . . . . . 2.68 2.14 3.22 1 1
29 1 . . . . . 2.25 1.7 2.79 1 1
30 1 . . . . . 3.65 2.81 4.49 1 1
31 1 . . . . . 3.92 3.11 4.72 1 1
32 1 . . . . . 3.45 2.77 4.12 1 1
33 1 . . . . . 3.1 2.45 3.75 1 1
34 1 . . . . . 4.13 2.93 5.33 1 1
35 1 . . . . . 3.87 3.08 4.66 1 1
36 1 . . . . . 3.62 2.79 4.45 1 1
37 1 . . . . . 3.23 2.61 3.85 1 1
38 1 . . . . . 3.5 2.81 4.19 1 1
39 1 . . . . . 3.25 2.63 3.87 1 1
40 1 . . . . . 3.48 2.79 4.17 1 1
41 1 . . . . . 3.12 2.33 3.91 1 1
42 1 . . . . . 3.17 2.57 3.77 1 1
43 1 . . . . . 2.61 1.89 3.33 1 1
44 1 . . . . . 3.04 2.46 3.62 1 1
45 1 . . . . . 4.19 3.29 5.09 1 1
46 1 . . . . . 3.17 2.4 3.94 1 1
47 1 . . . . . 3.29 2.66 3.93 1 1
48 1 . . . . . 3.81 2.86 4.76 1 1
49 1 . . . . . 2.52 2.04 3.0 1 1
50 1 . . . . . 2.79 2.14 3.44 1 1
51 1 . . . . . 3.06 2.36 3.76 1 1
52 1 . . . . . 2.9 2.35 3.45 1 1
53 1 . . . . . 2.57 1.94 3.2 1 1
54 1 . . . . . 2.86 2.16 3.56 1 1
55 1 . . . . . 3.0 2.43 3.57 1 1
56 1 . . . . . 2.82 2.13 3.51 1 1
57 1 . . . . . 3.16 2.44 3.88 1 1
58 1 . . . . . 3.68 2.83 4.53 1 1
59 1 . . . . . 2.83 2.29 3.36 1 1
60 1 . . . . . 2.71 2.2 3.22 1 1
61 1 . . . . . 3.32 2.48 4.16 1 1
62 1 . . . . . 2.76 2.24 3.28 1 1
63 1 . . . . . 2.56 2.04 3.08 1 1
64 1 . . . . . 2.71 1.97 3.45 1 1
65 1 . . . . . 3.39 2.73 4.05 1 1
66 1 . . . . . 3.54 2.75 4.33 1 1
67 1 . . . . . 3.25 2.55 3.94 1 1
68 1 . . . . . 3.03 2.45 3.6 1 1
69 1 . . . . . 3.75 2.81 4.69 1 1
70 1 . . . . . 4.2 3.13 5.26 1 1
71 1 . . . . . 2.62 2.12 3.12 1 1
72 1 . . . . . 2.71 2.08 3.34 1 1
73 1 . . . . . 3.16 2.43 3.88 1 1
74 1 . . . . . 2.88 2.34 3.42 1 1
75 1 . . . . . 2.63 1.99 3.28 1 1
76 1 . . . . . 2.94 2.23 3.65 1 1
77 1 . . . . . 2.81 2.27 3.35 1 1
78 1 . . . . . 3.09 2.5 3.68 1 1
79 1 . . . . . 2.95 2.34 3.56 1 1
80 1 . . . . . 3.55 2.59 4.51 1 1
81 1 . . . . . 4.18 3.06 5.3 1 1
82 1 . . . . . 4.33 3.02 5.65 1 1
83 1 . . . . . 3.08 2.37 3.78 1 1
84 1 . . . . . 3.87 2.97 4.76 1 1
85 1 . . . . . 2.96 2.4 3.52 1 1
86 1 . . . . . 2.71 2.07 3.34 1 1
87 1 . . . . . 4.08 3.12 5.04 1 1
88 1 . . . . . 3.23 2.49 3.97 1 1
89 1 . . . . . 2.79 2.26 3.31 1 1
90 1 . . . . . 3.38 2.54 4.22 1 1
91 1 . . . . . 2.99 2.26 3.72 1 1
92 1 . . . . . 2.96 2.4 3.52 1 1
93 1 . . . . . 3.89 3.09 4.69 1 1
94 1 . . . . . 3.04 2.29 3.79 1 1
95 1 . . . . . 3.08 2.21 3.94 1 1
96 1 . . . . . 4.15 3.17 5.14 1 1
97 1 . . . . . 3.09 2.38 3.8 1 1
98 1 . . . . . 4.2 3.2 5.2 1 1
99 1 . . . . . 3.01 2.44 3.59 1 1
100 1 . . . . . 3.2 2.58 3.82 1 1
101 1 . . . . . 2.98 2.41 3.55 1 1
102 1 . . . . . 2.95 2.39 3.51 1 1
103 1 . . . . . 3.19 2.58 3.8 1 1
104 1 . . . . . 3.83 3.04 4.62 1 1
105 1 . . . . . 3.21 2.52 3.9 1 1
106 1 . . . . . 3.42 2.75 4.09 1 1
107 1 . . . . . 3.26 2.63 3.89 1 1
108 1 . . . . . 2.83 2.29 3.37 1 1
109 1 . . . . . 2.56 2.08 3.04 1 1
110 1 . . . . . 3.77 2.83 4.71 1 1
111 1 . . . . . 3.01 2.44 3.59 1 1
112 1 . . . . . 2.85 2.31 3.39 1 1
113 1 . . . . . 2.75 2.23 3.27 1 1
114 1 . . . . . 2.66 2.12 3.19 1 1
115 1 . . . . . 2.92 2.32 3.52 1 1
116 1 . . . . . 3.13 2.47 3.79 1 1
117 1 . . . . . 2.87 2.09 3.65 1 1
118 1 . . . . . 2.96 2.4 3.52 1 1
119 1 . . . . . 3.48 2.79 4.17 1 1
120 1 . . . . . 3.56 2.75 4.37 1 1
121 1 . . . . . 2.89 2.34 3.44 1 1
122 1 . . . . . 4.26 3.17 5.35 1 1
123 1 . . . . . 4.04 3.19 4.89 1 1
124 1 . . . . . 3.81 3.04 4.58 1 1
125 1 . . . . . 3.33 2.49 4.17 1 1
126 1 . . . . . 2.73 2.21 3.25 1 1
127 1 . . . . . 2.71 2.08 3.34 1 1
128 1 . . . . . 3.41 2.74 4.08 1 1
129 1 . . . . . 3.15 2.55 3.75 1 1
130 1 . . . . . 2.88 2.33 3.43 1 1
131 1 . . . . . 2.68 2.02 3.34 1 1
132 1 . . . . . 3.07 2.43 3.71 1 1
133 1 . . . . . 3.26 2.56 3.96 1 1
134 1 . . . . . 3.71 2.97 4.46 1 1
135 1 . . . . . 3.8 2.89 4.72 1 1
136 1 . . . . . 3.76 2.72 4.8 1 1
137 1 . . . . . 3.96 2.97 4.96 1 1
138 1 . . . . . 3.27 2.57 3.97 1 1
139 1 . . . . . 3.68 2.67 4.69 1 1
140 1 . . . . . 3.22 2.48 3.96 1 1
141 1 . . . . . 4.18 3.28 5.08 1 1
142 1 . . . . . 4.16 3.27 5.04 1 1
143 1 . . . . . 3.25 2.63 3.87 1 1
144 1 . . . . . 2.88 2.34 3.43 1 1
145 1 . . . . . 3.25 2.63 3.87 1 1
146 1 . . . . . 2.37 1.9 2.84 1 1
147 1 . . . . . 2.46 1.97 2.95 1 1
148 1 . . . . . 2.51 1.81 3.21 1 1
149 1 . . . . . 4.0 3.17 4.83 1 1
150 1 . . . . . 3.05 2.47 3.63 1 1
151 1 . . . . . 2.77 2.25 3.29 1 1
152 1 . . . . . 3.28 2.64 3.91 1 1
153 1 . . . . . 3.81 2.86 4.76 1 1
154 1 . . . . . 3.86 2.89 4.82 1 1
155 1 . . . . . 2.91 2.36 3.46 1 1
156 1 . . . . . 2.56 2.08 3.04 1 1
157 1 . . . . . 3.02 2.4 3.64 1 1
158 1 . . . . . 2.82 2.24 3.39 1 1
159 1 . . . . . 2.83 2.06 3.6 1 1
160 1 . . . . . 2.85 2.27 3.43 1 1
161 1 . . . . . 3.45 2.77 4.12 1 1
162 1 . . . . . 3.31 2.67 3.95 1 1
163 1 . . . . . 3.62 2.9 4.34 1 1
164 1 . . . . . 4.04 3.19 4.88 1 1
165 1 . . . . . 2.58 2.1 3.06 1 1
166 1 . . . . . 2.91 2.36 3.46 1 1
167 1 . . . . . 3.69 2.76 4.62 1 1
168 1 . . . . . 3.12 2.52 3.72 1 1
169 1 . . . . . 2.96 2.4 3.52 1 1
170 1 . . . . . 3.23 2.54 3.92 1 1
171 1 . . . . . 2.7 1.96 3.44 1 1
172 1 . . . . . 3.15 2.35 3.95 1 1
173 1 . . . . . 2.96 2.4 3.52 1 1
174 1 . . . . . 3.06 2.27 3.85 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 3 LYS C C -11.158 2.405 -1.102 1.00 . A A . 1 LYS C 1 1
1 2 1 1 3 LYS CA C -11.670 3.342 -2.207 1.00 . A A . 1 LYS CA 1 1
1 3 1 1 3 LYS CB C -11.799 4.785 -1.690 1.00 . A A . 1 LYS CB 1 1
1 4 1 1 3 LYS CD C -14.050 5.596 -0.936 1.00 . A A . 1 LYS CD 1 1
1 5 1 1 3 LYS CE C -13.817 7.109 -0.841 1.00 . A A . 1 LYS CE 1 1
1 6 1 1 3 LYS CG C -12.780 4.853 -0.509 1.00 . A A . 1 LYS CG 1 1
1 7 1 1 3 LYS H H -13.462 3.694 -3.225 1.00 . A A . 1 LYS H 1 1
1 8 1 1 3 LYS HA H -10.996 3.319 -3.050 1.00 . A A . 1 LYS HA 1 1
1 9 1 1 3 LYS HB2 H -10.829 5.135 -1.367 1.00 . A A . 1 LYS HB2 1 1
1 10 1 1 3 LYS HB3 H -12.157 5.419 -2.488 1.00 . A A . 1 LYS HB3 1 1
1 11 1 1 3 LYS HD2 H -14.296 5.332 -1.954 1.00 . A A . 1 LYS HD2 1 1
1 12 1 1 3 LYS HD3 H -14.865 5.319 -0.284 1.00 . A A . 1 LYS HD3 1 1
1 13 1 1 3 LYS HE2 H -14.038 7.459 0.158 1.00 . A A . 1 LYS HE2 1 1
1 14 1 1 3 LYS HE3 H -12.800 7.350 -1.109 1.00 . A A . 1 LYS HE3 1 1
1 15 1 1 3 LYS HG2 H -13.039 3.853 -0.195 1.00 . A A . 1 LYS HG2 1 1
1 16 1 1 3 LYS HG3 H -12.317 5.379 0.312 1.00 . A A . 1 LYS HG3 1 1
1 17 1 1 3 LYS HZ1 H -14.666 8.748 -1.806 1.00 . A A . 1 LYS HZ1 1 1
1 18 1 1 3 LYS HZ2 H -15.737 7.449 -1.578 1.00 . A A . 1 LYS HZ2 1 1
1 19 1 1 3 LYS HZ3 H -14.538 7.366 -2.780 1.00 . A A . 1 LYS HZ3 1 1
1 20 1 1 3 LYS N N -13.045 2.939 -2.644 1.00 . A A . 1 LYS N 1 1
1 21 1 1 3 LYS NZ N -14.761 7.713 -1.826 1.00 . A A . 1 LYS NZ 1 1
1 22 1 1 3 LYS O O -11.924 1.902 -0.300 1.00 . A A . 1 LYS O 1 1
1 23 1 1 4 ILE C C -10.003 -0.075 0.002 1.00 . A A . 2 ILE C 1 1
1 24 1 1 4 ILE CA C -9.261 1.270 -0.028 1.00 . A A . 2 ILE CA 1 1
1 25 1 1 4 ILE CB C -9.423 2.006 1.300 1.00 . A A . 2 ILE CB 1 1
1 26 1 1 4 ILE CD1 C -7.330 3.338 0.821 1.00 . A A . 2 ILE CD1 1 1
1 27 1 1 4 ILE CG1 C -8.808 3.417 1.226 1.00 . A A . 2 ILE CG1 1 1
1 28 1 1 4 ILE CG2 C -8.729 1.204 2.401 1.00 . A A . 2 ILE CG2 1 1
1 29 1 1 4 ILE H H -9.279 2.590 -1.725 1.00 . A A . 2 ILE H 1 1
1 30 1 1 4 ILE HA H -8.214 1.112 -0.235 1.00 . A A . 2 ILE HA 1 1
1 31 1 1 4 ILE HB H -10.473 2.079 1.516 1.00 . A A . 2 ILE HB 1 1
1 32 1 1 4 ILE HD11 H -7.047 2.306 0.681 1.00 . A A . 2 ILE HD11 1 1
1 33 1 1 4 ILE HD12 H -6.721 3.776 1.598 1.00 . A A . 2 ILE HD12 1 1
1 34 1 1 4 ILE HD13 H -7.180 3.881 -0.101 1.00 . A A . 2 ILE HD13 1 1
1 35 1 1 4 ILE HG12 H -9.348 4.007 0.500 1.00 . A A . 2 ILE HG12 1 1
1 36 1 1 4 ILE HG13 H -8.886 3.889 2.194 1.00 . A A . 2 ILE HG13 1 1
1 37 1 1 4 ILE HG21 H -7.912 1.779 2.808 1.00 . A A . 2 ILE HG21 1 1
1 38 1 1 4 ILE HG22 H -8.349 0.283 1.982 1.00 . A A . 2 ILE HG22 1 1
1 39 1 1 4 ILE HG23 H -9.438 0.978 3.183 1.00 . A A . 2 ILE HG23 1 1
1 40 1 1 4 ILE N N -9.862 2.171 -1.065 1.00 . A A . 2 ILE N 1 1
1 41 1 1 4 ILE O O -10.560 -0.481 1.007 1.00 . A A . 2 ILE O 1 1
1 42 1 1 5 SER C C -10.035 -3.130 -0.315 1.00 . A A . 3 SER C 1 1
1 43 1 1 5 SER CA C -10.722 -2.073 -1.196 1.00 . A A . 3 SER CA 1 1
1 44 1 1 5 SER CB C -10.651 -2.473 -2.675 1.00 . A A . 3 SER CB 1 1
1 45 1 1 5 SER H H -9.568 -0.382 -1.889 1.00 . A A . 3 SER H 1 1
1 46 1 1 5 SER HA H -11.753 -1.961 -0.901 1.00 . A A . 3 SER HA 1 1
1 47 1 1 5 SER HB2 H -11.085 -3.449 -2.806 1.00 . A A . 3 SER HB2 1 1
1 48 1 1 5 SER HB3 H -11.206 -1.755 -3.266 1.00 . A A . 3 SER HB3 1 1
1 49 1 1 5 SER HG H -9.281 -2.487 -4.059 1.00 . A A . 3 SER HG 1 1
1 50 1 1 5 SER N N -10.017 -0.752 -1.107 1.00 . A A . 3 SER N 1 1
1 51 1 1 5 SER O O -10.687 -3.829 0.438 1.00 . A A . 3 SER O 1 1
1 52 1 1 5 SER OG O -9.293 -2.506 -3.099 1.00 . A A . 3 SER OG 1 1
1 53 1 1 6 SER C C -6.810 -3.648 1.145 1.00 . A A . 4 SER C 1 1
1 54 1 1 6 SER CA C -8.009 -4.279 0.420 1.00 . A A . 4 SER CA 1 1
1 55 1 1 6 SER CB C -7.536 -5.337 -0.582 1.00 . A A . 4 SER CB 1 1
1 56 1 1 6 SER H H -8.224 -2.690 -1.025 1.00 . A A . 4 SER H 1 1
1 57 1 1 6 SER HA H -8.682 -4.728 1.133 1.00 . A A . 4 SER HA 1 1
1 58 1 1 6 SER HB2 H -7.003 -6.114 -0.061 1.00 . A A . 4 SER HB2 1 1
1 59 1 1 6 SER HB3 H -8.395 -5.766 -1.082 1.00 . A A . 4 SER HB3 1 1
1 60 1 1 6 SER HG H -7.164 -4.605 -2.349 1.00 . A A . 4 SER HG 1 1
1 61 1 1 6 SER N N -8.730 -3.259 -0.407 1.00 . A A . 4 SER N 1 1
1 62 1 1 6 SER O O -6.278 -2.644 0.706 1.00 . A A . 4 SER O 1 1
1 63 1 1 6 SER OG O -6.668 -4.735 -1.537 1.00 . A A . 4 SER OG 1 1
1 64 1 1 7 PRO C C -3.939 -3.994 2.278 1.00 . A A . 5 PRO C 1 1
1 65 1 1 7 PRO CA C -5.261 -3.779 3.033 1.00 . A A . 5 PRO CA 1 1
1 66 1 1 7 PRO CB C -5.312 -4.629 4.302 1.00 . A A . 5 PRO CB 1 1
1 67 1 1 7 PRO CD C -7.009 -5.485 2.823 1.00 . A A . 5 PRO CD 1 1
1 68 1 1 7 PRO CG C -6.034 -5.875 3.901 1.00 . A A . 5 PRO CG 1 1
1 69 1 1 7 PRO HA H -5.390 -2.739 3.284 1.00 . A A . 5 PRO HA 1 1
1 70 1 1 7 PRO HB2 H -4.310 -4.863 4.637 1.00 . A A . 5 PRO HB2 1 1
1 71 1 1 7 PRO HB3 H -5.860 -4.117 5.077 1.00 . A A . 5 PRO HB3 1 1
1 72 1 1 7 PRO HD2 H -7.088 -6.270 2.083 1.00 . A A . 5 PRO HD2 1 1
1 73 1 1 7 PRO HD3 H -7.975 -5.260 3.246 1.00 . A A . 5 PRO HD3 1 1
1 74 1 1 7 PRO HG2 H -5.331 -6.603 3.521 1.00 . A A . 5 PRO HG2 1 1
1 75 1 1 7 PRO HG3 H -6.569 -6.281 4.745 1.00 . A A . 5 PRO HG3 1 1
1 76 1 1 7 PRO N N -6.418 -4.272 2.235 1.00 . A A . 5 PRO N 1 1
1 77 1 1 7 PRO O O -2.980 -3.274 2.489 1.00 . A A . 5 PRO O 1 1
1 78 1 1 8 THR C C -2.223 -3.973 -0.168 1.00 . A A . 6 THR C 1 1
1 79 1 1 8 THR CA C -2.625 -5.229 0.620 1.00 . A A . 6 THR CA 1 1
1 80 1 1 8 THR CB C -2.954 -6.383 -0.339 1.00 . A A . 6 THR CB 1 1
1 81 1 1 8 THR CG2 C -3.127 -7.680 0.454 1.00 . A A . 6 THR CG2 1 1
1 82 1 1 8 THR H H -4.671 -5.535 1.243 1.00 . A A . 6 THR H 1 1
1 83 1 1 8 THR HA H -1.828 -5.521 1.285 1.00 . A A . 6 THR HA 1 1
1 84 1 1 8 THR HB H -2.145 -6.506 -1.043 1.00 . A A . 6 THR HB 1 1
1 85 1 1 8 THR HG1 H -3.916 -5.757 -1.912 1.00 . A A . 6 THR HG1 1 1
1 86 1 1 8 THR HG21 H -2.269 -7.829 1.093 1.00 . A A . 6 THR HG21 1 1
1 87 1 1 8 THR HG22 H -3.216 -8.511 -0.230 1.00 . A A . 6 THR HG22 1 1
1 88 1 1 8 THR HG23 H -4.020 -7.616 1.059 1.00 . A A . 6 THR HG23 1 1
1 89 1 1 8 THR N N -3.883 -4.973 1.397 1.00 . A A . 6 THR N 1 1
1 90 1 1 8 THR O O -1.052 -3.680 -0.322 1.00 . A A . 6 THR O 1 1
1 91 1 1 8 THR OG1 O -4.155 -6.095 -1.046 1.00 . A A . 6 THR OG1 1 1
1 92 1 1 9 GLU C C -2.130 -0.989 -0.510 1.00 . A A . 7 GLU C 1 1
1 93 1 1 9 GLU CA C -2.873 -1.976 -1.419 1.00 . A A . 7 GLU CA 1 1
1 94 1 1 9 GLU CB C -4.229 -1.401 -1.845 1.00 . A A . 7 GLU CB 1 1
1 95 1 1 9 GLU CD C -4.200 -2.126 -4.245 1.00 . A A . 7 GLU CD 1 1
1 96 1 1 9 GLU CG C -4.881 -2.318 -2.887 1.00 . A A . 7 GLU CG 1 1
1 97 1 1 9 GLU H H -4.125 -3.481 -0.506 1.00 . A A . 7 GLU H 1 1
1 98 1 1 9 GLU HA H -2.278 -2.208 -2.288 1.00 . A A . 7 GLU HA 1 1
1 99 1 1 9 GLU HB2 H -4.874 -1.324 -0.981 1.00 . A A . 7 GLU HB2 1 1
1 100 1 1 9 GLU HB3 H -4.085 -0.420 -2.273 1.00 . A A . 7 GLU HB3 1 1
1 101 1 1 9 GLU HG2 H -4.778 -3.347 -2.574 1.00 . A A . 7 GLU HG2 1 1
1 102 1 1 9 GLU HG3 H -5.929 -2.073 -2.975 1.00 . A A . 7 GLU HG3 1 1
1 103 1 1 9 GLU N N -3.190 -3.225 -0.654 1.00 . A A . 7 GLU N 1 1
1 104 1 1 9 GLU O O -1.146 -0.391 -0.907 1.00 . A A . 7 GLU O 1 1
1 105 1 1 9 GLU OE1 O -4.584 -1.212 -4.956 1.00 . A A . 7 GLU OE1 1 1
1 106 1 1 9 GLU OE2 O -3.305 -2.898 -4.551 1.00 . A A . 7 GLU OE2 1 1
1 107 1 1 10 THR C C -0.498 -0.406 1.975 1.00 . A A . 8 THR C 1 1
1 108 1 1 10 THR CA C -1.911 0.104 1.662 1.00 . A A . 8 THR CA 1 1
1 109 1 1 10 THR CB C -2.776 0.098 2.930 1.00 . A A . 8 THR CB 1 1
1 110 1 1 10 THR CG2 C -2.623 1.436 3.638 1.00 . A A . 8 THR CG2 1 1
1 111 1 1 10 THR H H -3.377 -1.324 1.008 1.00 . A A . 8 THR H 1 1
1 112 1 1 10 THR HA H -1.868 1.100 1.247 1.00 . A A . 8 THR HA 1 1
1 113 1 1 10 THR HB H -2.446 -0.690 3.589 1.00 . A A . 8 THR HB 1 1
1 114 1 1 10 THR HG1 H -4.426 0.607 2.015 1.00 . A A . 8 THR HG1 1 1
1 115 1 1 10 THR HG21 H -1.604 1.778 3.535 1.00 . A A . 8 THR HG21 1 1
1 116 1 1 10 THR HG22 H -2.864 1.320 4.683 1.00 . A A . 8 THR HG22 1 1
1 117 1 1 10 THR HG23 H -3.291 2.153 3.189 1.00 . A A . 8 THR HG23 1 1
1 118 1 1 10 THR N N -2.588 -0.826 0.711 1.00 . A A . 8 THR N 1 1
1 119 1 1 10 THR O O 0.436 0.365 2.066 1.00 . A A . 8 THR O 1 1
1 120 1 1 10 THR OG1 O -4.148 -0.107 2.595 1.00 . A A . 8 THR OG1 1 1
1 121 1 1 11 GLU C C 1.983 -1.898 1.267 1.00 . A A . 9 GLU C 1 1
1 122 1 1 11 GLU CA C 1.028 -2.256 2.409 1.00 . A A . 9 GLU CA 1 1
1 123 1 1 11 GLU CB C 0.842 -3.774 2.495 1.00 . A A . 9 GLU CB 1 1
1 124 1 1 11 GLU CD C -0.421 -5.502 3.792 1.00 . A A . 9 GLU CD 1 1
1 125 1 1 11 GLU CG C 0.289 -4.147 3.873 1.00 . A A . 9 GLU CG 1 1
1 126 1 1 11 GLU H H -1.100 -2.305 2.034 1.00 . A A . 9 GLU H 1 1
1 127 1 1 11 GLU HA H 1.400 -1.874 3.338 1.00 . A A . 9 GLU HA 1 1
1 128 1 1 11 GLU HB2 H 0.152 -4.096 1.730 1.00 . A A . 9 GLU HB2 1 1
1 129 1 1 11 GLU HB3 H 1.795 -4.261 2.349 1.00 . A A . 9 GLU HB3 1 1
1 130 1 1 11 GLU HG2 H 1.102 -4.207 4.582 1.00 . A A . 9 GLU HG2 1 1
1 131 1 1 11 GLU HG3 H -0.414 -3.393 4.194 1.00 . A A . 9 GLU HG3 1 1
1 132 1 1 11 GLU N N -0.333 -1.700 2.123 1.00 . A A . 9 GLU N 1 1
1 133 1 1 11 GLU O O 3.150 -1.631 1.478 1.00 . A A . 9 GLU O 1 1
1 134 1 1 11 GLU OE1 O 0.262 -6.500 3.630 1.00 . A A . 9 GLU OE1 1 1
1 135 1 1 11 GLU OE2 O -1.637 -5.519 3.894 1.00 . A A . 9 GLU OE2 1 1
1 136 1 1 12 ARG C C 2.626 -0.025 -1.147 1.00 . A A . 10 ARG C 1 1
1 137 1 1 12 ARG CA C 2.321 -1.530 -1.122 1.00 . A A . 10 ARG CA 1 1
1 138 1 1 12 ARG CB C 1.489 -1.931 -2.345 1.00 . A A . 10 ARG CB 1 1
1 139 1 1 12 ARG CD C 3.108 -3.300 -3.684 1.00 . A A . 10 ARG CD 1 1
1 140 1 1 12 ARG CG C 1.866 -3.350 -2.781 1.00 . A A . 10 ARG CG 1 1
1 141 1 1 12 ARG CZ C 2.639 -5.340 -4.922 1.00 . A A . 10 ARG CZ 1 1
1 142 1 1 12 ARG H H 0.529 -2.092 -0.060 1.00 . A A . 10 ARG H 1 1
1 143 1 1 12 ARG HA H 3.239 -2.095 -1.104 1.00 . A A . 10 ARG HA 1 1
1 144 1 1 12 ARG HB2 H 0.439 -1.899 -2.093 1.00 . A A . 10 ARG HB2 1 1
1 145 1 1 12 ARG HB3 H 1.684 -1.244 -3.155 1.00 . A A . 10 ARG HB3 1 1
1 146 1 1 12 ARG HD2 H 3.362 -2.275 -3.914 1.00 . A A . 10 ARG HD2 1 1
1 147 1 1 12 ARG HD3 H 3.939 -3.793 -3.203 1.00 . A A . 10 ARG HD3 1 1
1 148 1 1 12 ARG HE H 2.560 -3.536 -5.758 1.00 . A A . 10 ARG HE 1 1
1 149 1 1 12 ARG HG2 H 2.079 -3.948 -1.907 1.00 . A A . 10 ARG HG2 1 1
1 150 1 1 12 ARG HG3 H 1.042 -3.789 -3.324 1.00 . A A . 10 ARG HG3 1 1
1 151 1 1 12 ARG HH11 H 4.622 -5.634 -4.994 1.00 . A A . 10 ARG HH11 1 1
1 152 1 1 12 ARG HH12 H 3.655 -7.070 -4.954 1.00 . A A . 10 ARG HH12 1 1
1 153 1 1 12 ARG HH21 H 0.635 -5.353 -4.853 1.00 . A A . 10 ARG HH21 1 1
1 154 1 1 12 ARG HH22 H 1.392 -6.910 -4.874 1.00 . A A . 10 ARG HH22 1 1
1 155 1 1 12 ARG N N 1.476 -1.880 0.062 1.00 . A A . 10 ARG N 1 1
1 156 1 1 12 ARG NE N 2.731 -4.034 -4.929 1.00 . A A . 10 ARG NE 1 1
1 157 1 1 12 ARG NH1 N 3.724 -6.072 -4.959 1.00 . A A . 10 ARG NH1 1 1
1 158 1 1 12 ARG NH2 N 1.463 -5.912 -4.879 1.00 . A A . 10 ARG NH2 1 1
1 159 1 1 12 ARG O O 3.671 0.387 -1.615 1.00 . A A . 10 ARG O 1 1
1 160 1 1 13 CYS C C 2.964 2.636 0.504 1.00 . A A . 11 CYS C 1 1
1 161 1 1 13 CYS CA C 1.996 2.277 -0.636 1.00 . A A . 11 CYS CA 1 1
1 162 1 1 13 CYS CB C 0.628 2.961 -0.454 1.00 . A A . 11 CYS CB 1 1
1 163 1 1 13 CYS H H 0.901 0.445 -0.257 1.00 . A A . 11 CYS H 1 1
1 164 1 1 13 CYS HA H 2.424 2.573 -1.582 1.00 . A A . 11 CYS HA 1 1
1 165 1 1 13 CYS HB2 H 0.679 3.960 -0.853 1.00 . A A . 11 CYS HB2 1 1
1 166 1 1 13 CYS HB3 H -0.129 2.406 -0.988 1.00 . A A . 11 CYS HB3 1 1
1 167 1 1 13 CYS HG H 0.626 3.817 1.678 1.00 . A A . 11 CYS HG 1 1
1 168 1 1 13 CYS N N 1.733 0.799 -0.641 1.00 . A A . 11 CYS N 1 1
1 169 1 1 13 CYS O O 3.722 3.581 0.406 1.00 . A A . 11 CYS O 1 1
1 170 1 1 13 CYS SG S 0.185 3.053 1.300 1.00 . A A . 11 CYS SG 1 1
1 171 1 1 14 ILE C C 5.287 1.637 2.359 1.00 . A A . 12 ILE C 1 1
1 172 1 1 14 ILE CA C 3.885 2.148 2.713 1.00 . A A . 12 ILE CA 1 1
1 173 1 1 14 ILE CB C 3.312 1.369 3.907 1.00 . A A . 12 ILE CB 1 1
1 174 1 1 14 ILE CD1 C 1.231 1.001 5.253 1.00 . A A . 12 ILE CD1 1 1
1 175 1 1 14 ILE CG1 C 1.951 1.956 4.298 1.00 . A A . 12 ILE CG1 1 1
1 176 1 1 14 ILE CG2 C 4.270 1.474 5.099 1.00 . A A . 12 ILE CG2 1 1
1 177 1 1 14 ILE H H 2.343 1.110 1.622 1.00 . A A . 12 ILE H 1 1
1 178 1 1 14 ILE HA H 3.912 3.202 2.935 1.00 . A A . 12 ILE HA 1 1
1 179 1 1 14 ILE HB H 3.193 0.330 3.633 1.00 . A A . 12 ILE HB 1 1
1 180 1 1 14 ILE HD11 H 1.200 0.012 4.819 1.00 . A A . 12 ILE HD11 1 1
1 181 1 1 14 ILE HD12 H 0.223 1.351 5.421 1.00 . A A . 12 ILE HD12 1 1
1 182 1 1 14 ILE HD13 H 1.760 0.965 6.194 1.00 . A A . 12 ILE HD13 1 1
1 183 1 1 14 ILE HG12 H 2.101 2.906 4.781 1.00 . A A . 12 ILE HG12 1 1
1 184 1 1 14 ILE HG13 H 1.350 2.097 3.414 1.00 . A A . 12 ILE HG13 1 1
1 185 1 1 14 ILE HG21 H 5.187 0.950 4.872 1.00 . A A . 12 ILE HG21 1 1
1 186 1 1 14 ILE HG22 H 3.811 1.032 5.971 1.00 . A A . 12 ILE HG22 1 1
1 187 1 1 14 ILE HG23 H 4.489 2.513 5.296 1.00 . A A . 12 ILE HG23 1 1
1 188 1 1 14 ILE N N 2.954 1.873 1.574 1.00 . A A . 12 ILE N 1 1
1 189 1 1 14 ILE O O 6.276 2.317 2.561 1.00 . A A . 12 ILE O 1 1
1 190 1 1 15 GLU C C 7.380 0.723 0.378 1.00 . A A . 13 GLU C 1 1
1 191 1 1 15 GLU CA C 6.689 -0.148 1.440 1.00 . A A . 13 GLU CA 1 1
1 192 1 1 15 GLU CB C 6.362 -1.530 0.863 1.00 . A A . 13 GLU CB 1 1
1 193 1 1 15 GLU CD C 5.759 -3.891 1.442 1.00 . A A . 13 GLU CD 1 1
1 194 1 1 15 GLU CG C 6.232 -2.546 2.003 1.00 . A A . 13 GLU CG 1 1
1 195 1 1 15 GLU H H 4.542 -0.073 1.679 1.00 . A A . 13 GLU H 1 1
1 196 1 1 15 GLU HA H 7.320 -0.255 2.309 1.00 . A A . 13 GLU HA 1 1
1 197 1 1 15 GLU HB2 H 5.431 -1.481 0.316 1.00 . A A . 13 GLU HB2 1 1
1 198 1 1 15 GLU HB3 H 7.154 -1.839 0.198 1.00 . A A . 13 GLU HB3 1 1
1 199 1 1 15 GLU HG2 H 7.193 -2.673 2.481 1.00 . A A . 13 GLU HG2 1 1
1 200 1 1 15 GLU HG3 H 5.515 -2.187 2.725 1.00 . A A . 13 GLU HG3 1 1
1 201 1 1 15 GLU N N 5.364 0.440 1.827 1.00 . A A . 13 GLU N 1 1
1 202 1 1 15 GLU O O 8.581 0.916 0.416 1.00 . A A . 13 GLU O 1 1
1 203 1 1 15 GLU OE1 O 6.596 -4.639 0.963 1.00 . A A . 13 GLU OE1 1 1
1 204 1 1 15 GLU OE2 O 4.568 -4.151 1.503 1.00 . A A . 13 GLU OE2 1 1
1 205 1 1 16 SER C C 7.772 3.419 -1.016 1.00 . A A . 14 SER C 1 1
1 206 1 1 16 SER CA C 7.240 2.114 -1.626 1.00 . A A . 14 SER CA 1 1
1 207 1 1 16 SER CB C 6.111 2.400 -2.623 1.00 . A A . 14 SER CB 1 1
1 208 1 1 16 SER H H 5.664 1.085 -0.572 1.00 . A A . 14 SER H 1 1
1 209 1 1 16 SER HA H 8.038 1.583 -2.122 1.00 . A A . 14 SER HA 1 1
1 210 1 1 16 SER HB2 H 6.449 3.113 -3.349 1.00 . A A . 14 SER HB2 1 1
1 211 1 1 16 SER HB3 H 5.834 1.483 -3.128 1.00 . A A . 14 SER HB3 1 1
1 212 1 1 16 SER HG H 4.956 3.880 -2.107 1.00 . A A . 14 SER HG 1 1
1 213 1 1 16 SER N N 6.630 1.252 -0.565 1.00 . A A . 14 SER N 1 1
1 214 1 1 16 SER O O 8.835 3.887 -1.378 1.00 . A A . 14 SER O 1 1
1 215 1 1 16 SER OG O 4.986 2.936 -1.936 1.00 . A A . 14 SER OG 1 1
1 216 1 1 17 LEU C C 8.822 5.012 1.337 1.00 . A A . 15 LEU C 1 1
1 217 1 1 17 LEU CA C 7.521 5.271 0.561 1.00 . A A . 15 LEU CA 1 1
1 218 1 1 17 LEU CB C 6.401 5.690 1.523 1.00 . A A . 15 LEU CB 1 1
1 219 1 1 17 LEU CD1 C 4.011 6.419 1.628 1.00 . A A . 15 LEU CD1 1 1
1 220 1 1 17 LEU CD2 C 5.660 7.746 0.300 1.00 . A A . 15 LEU CD2 1 1
1 221 1 1 17 LEU CG C 5.254 6.335 0.738 1.00 . A A . 15 LEU CG 1 1
1 222 1 1 17 LEU H H 6.198 3.598 0.195 1.00 . A A . 15 LEU H 1 1
1 223 1 1 17 LEU HA H 7.674 6.037 -0.183 1.00 . A A . 15 LEU HA 1 1
1 224 1 1 17 LEU HB2 H 6.034 4.821 2.049 1.00 . A A . 15 LEU HB2 1 1
1 225 1 1 17 LEU HB3 H 6.789 6.402 2.237 1.00 . A A . 15 LEU HB3 1 1
1 226 1 1 17 LEU HD11 H 4.191 7.116 2.433 1.00 . A A . 15 LEU HD11 1 1
1 227 1 1 17 LEU HD12 H 3.795 5.444 2.038 1.00 . A A . 15 LEU HD12 1 1
1 228 1 1 17 LEU HD13 H 3.170 6.757 1.040 1.00 . A A . 15 LEU HD13 1 1
1 229 1 1 17 LEU HD21 H 4.820 8.232 -0.173 1.00 . A A . 15 LEU HD21 1 1
1 230 1 1 17 LEU HD22 H 6.480 7.683 -0.400 1.00 . A A . 15 LEU HD22 1 1
1 231 1 1 17 LEU HD23 H 5.967 8.317 1.164 1.00 . A A . 15 LEU HD23 1 1
1 232 1 1 17 LEU HG H 5.032 5.735 -0.133 1.00 . A A . 15 LEU HG 1 1
1 233 1 1 17 LEU N N 7.048 4.001 -0.084 1.00 . A A . 15 LEU N 1 1
1 234 1 1 17 LEU O O 9.703 5.850 1.380 1.00 . A A . 15 LEU O 1 1
1 235 1 1 18 ILE C C 11.370 3.344 1.736 1.00 . A A . 16 ILE C 1 1
1 236 1 1 18 ILE CA C 10.190 3.514 2.705 1.00 . A A . 16 ILE CA 1 1
1 237 1 1 18 ILE CB C 9.882 2.190 3.426 1.00 . A A . 16 ILE CB 1 1
1 238 1 1 18 ILE CD1 C 8.182 1.120 4.928 1.00 . A A . 16 ILE CD1 1 1
1 239 1 1 18 ILE CG1 C 8.865 2.437 4.550 1.00 . A A . 16 ILE CG1 1 1
1 240 1 1 18 ILE CG2 C 11.162 1.606 4.028 1.00 . A A . 16 ILE CG2 1 1
1 241 1 1 18 ILE H H 8.218 3.195 1.874 1.00 . A A . 16 ILE H 1 1
1 242 1 1 18 ILE HA H 10.406 4.287 3.427 1.00 . A A . 16 ILE HA 1 1
1 243 1 1 18 ILE HB H 9.476 1.486 2.720 1.00 . A A . 16 ILE HB 1 1
1 244 1 1 18 ILE HD11 H 7.905 1.145 5.971 1.00 . A A . 16 ILE HD11 1 1
1 245 1 1 18 ILE HD12 H 8.863 0.298 4.756 1.00 . A A . 16 ILE HD12 1 1
1 246 1 1 18 ILE HD13 H 7.298 0.986 4.323 1.00 . A A . 16 ILE HD13 1 1
1 247 1 1 18 ILE HG12 H 9.376 2.838 5.413 1.00 . A A . 16 ILE HG12 1 1
1 248 1 1 18 ILE HG13 H 8.119 3.142 4.218 1.00 . A A . 16 ILE HG13 1 1
1 249 1 1 18 ILE HG21 H 11.559 2.286 4.766 1.00 . A A . 16 ILE HG21 1 1
1 250 1 1 18 ILE HG22 H 11.891 1.455 3.246 1.00 . A A . 16 ILE HG22 1 1
1 251 1 1 18 ILE HG23 H 10.936 0.658 4.495 1.00 . A A . 16 ILE HG23 1 1
1 252 1 1 18 ILE N N 8.945 3.851 1.937 1.00 . A A . 16 ILE N 1 1
1 253 1 1 18 ILE O O 12.463 3.812 1.993 1.00 . A A . 16 ILE O 1 1
1 254 1 1 19 ALA C C 12.614 3.807 -1.048 1.00 . A A . 17 ALA C 1 1
1 255 1 1 19 ALA CA C 12.253 2.477 -0.370 1.00 . A A . 17 ALA CA 1 1
1 256 1 1 19 ALA CB C 11.694 1.482 -1.392 1.00 . A A . 17 ALA CB 1 1
1 257 1 1 19 ALA H H 10.258 2.315 0.442 1.00 . A A . 17 ALA H 1 1
1 258 1 1 19 ALA HA H 13.120 2.056 0.115 1.00 . A A . 17 ALA HA 1 1
1 259 1 1 19 ALA HB1 H 10.768 1.864 -1.798 1.00 . A A . 17 ALA HB1 1 1
1 260 1 1 19 ALA HB2 H 11.512 0.534 -0.909 1.00 . A A . 17 ALA HB2 1 1
1 261 1 1 19 ALA HB3 H 12.409 1.347 -2.191 1.00 . A A . 17 ALA HB3 1 1
1 262 1 1 19 ALA N N 11.151 2.679 0.624 1.00 . A A . 17 ALA N 1 1
1 263 1 1 19 ALA O O 11.708 4.492 -1.499 1.00 . A A . 17 ALA O 1 1
1 264 1 1 19 ALA OXT O 13.792 4.119 -1.101 1.00 . A A . 17 ALA OXT 1 1
stop_
save_