NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
369383 |
1bbl   |
2546 | cing | 4-filtered-FRED | STAR | entry | full | 571 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1bbl
# This FRED archive file contains, for PDB entry <1bbl>:
#
# - 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_1bbl
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1bbl
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 3977.51
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 $DIHYDROLIPOAMIDE_SUCCINYLTRANSFERASE A . 1 1
stop_
save_
save_DIHYDROLIPOAMIDE_SUCCINYLTRANSFERASE
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "DIHYDROLIPOAMIDE SUCCINYLTRANSFERASE"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code YASLEEQNNDALSPAIRRLLAEHNLDASAIKGTGVGGRLTREDVEKHLAKA
_Entity.Number_of_monomers 51
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 TYR . 1 1
2 ALA . 1 1
3 SER . 1 1
4 LEU . 1 1
5 GLU . 1 1
6 GLU . 1 1
7 GLN . 1 1
8 ASN . 1 1
9 ASN . 1 1
10 ASP . 1 1
11 ALA . 1 1
12 LEU . 1 1
13 SER . 1 1
14 PRO . 1 1
15 ALA . 1 1
16 ILE . 1 1
17 ARG . 1 1
18 ARG . 1 1
19 LEU . 1 1
20 LEU . 1 1
21 ALA . 1 1
22 GLU . 1 1
23 HIS . 1 1
24 ASN . 1 1
25 LEU . 1 1
26 ASP . 1 1
27 ALA . 1 1
28 SER . 1 1
29 ALA . 1 1
30 ILE . 1 1
31 LYS . 1 1
32 GLY . 1 1
33 THR . 1 1
34 GLY . 1 1
35 VAL . 1 1
36 GLY . 1 1
37 GLY . 1 1
38 ARG . 1 1
39 LEU . 1 1
40 THR . 1 1
41 ARG . 1 1
42 GLU . 1 1
43 ASP . 1 1
44 VAL . 1 1
45 GLU . 1 1
46 LYS . 1 1
47 HIS . 1 1
48 LEU . 1 1
49 ALA . 1 1
50 LYS . 1 1
51 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
TYR 1 1 1 1
ALA 2 2 1 1
SER 3 3 1 1
LEU 4 4 1 1
GLU 5 5 1 1
GLU 6 6 1 1
GLN 7 7 1 1
ASN 8 8 1 1
ASN 9 9 1 1
ASP 10 10 1 1
ALA 11 11 1 1
LEU 12 12 1 1
SER 13 13 1 1
PRO 14 14 1 1
ALA 15 15 1 1
ILE 16 16 1 1
ARG 17 17 1 1
ARG 18 18 1 1
LEU 19 19 1 1
LEU 20 20 1 1
ALA 21 21 1 1
GLU 22 22 1 1
HIS 23 23 1 1
ASN 24 24 1 1
LEU 25 25 1 1
ASP 26 26 1 1
ALA 27 27 1 1
SER 28 28 1 1
ALA 29 29 1 1
ILE 30 30 1 1
LYS 31 31 1 1
GLY 32 32 1 1
THR 33 33 1 1
GLY 34 34 1 1
VAL 35 35 1 1
GLY 36 36 1 1
GLY 37 37 1 1
ARG 38 38 1 1
LEU 39 39 1 1
THR 40 40 1 1
ARG 41 41 1 1
GLU 42 42 1 1
ASP 43 43 1 1
VAL 44 44 1 1
GLU 45 45 1 1
LYS 46 46 1 1
HIS 47 47 1 1
LEU 48 48 1 1
ALA 49 49 1 1
LYS 50 50 1 1
ALA 51 51 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
175 1 . . . 1 1
176 1 . . . 1 1
177 1 . . . 1 1
178 1 . . . 1 1
179 1 . . . 1 1
180 1 . . . 1 1
181 1 . . . 1 1
182 1 . . . 1 1
183 1 . . . 1 1
184 1 . . . 1 1
185 1 . . . 1 1
186 1 . . . 1 1
187 1 . . . 1 1
188 1 . . . 1 1
189 1 . . . 1 1
190 1 . . . 1 1
191 1 . . . 1 1
192 1 . . . 1 1
193 1 . . . 1 1
194 1 . . . 1 1
195 1 . . . 1 1
196 1 . . . 1 1
197 1 . . . 1 1
198 1 . . . 1 1
199 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 12 LEU H . 12 . HN 1 1
1 1 2 1 1 12 LEU HB3 . 12 . HB1 1 1
2 1 1 1 1 12 LEU H . 12 . HN 1 1
2 1 2 1 1 12 LEU HB2 . 12 . HB2 1 1
3 1 1 1 1 12 LEU H . 12 . HN 1 1
3 1 2 1 1 12 LEU HG . 12 . HG 1 1
4 1 1 1 1 12 LEU H . 12 . HN 1 1
4 1 2 1 1 12 LEU QD . 12 . HD* 1 1
5 1 1 1 1 12 LEU HA . 12 . HA 1 1
5 1 2 1 1 12 LEU HB3 . 12 . HB1 1 1
6 1 1 1 1 12 LEU HA . 12 . HA 1 1
6 1 2 1 1 12 LEU HB2 . 12 . HB2 1 1
7 1 1 1 1 12 LEU HA . 12 . HA 1 1
7 1 2 1 1 12 LEU HG . 12 . HG 1 1
8 1 1 1 1 12 LEU HA . 12 . HA 1 1
8 1 2 1 1 12 LEU QD . 12 . HD* 1 1
9 1 1 1 1 13 SER H . 13 . HN 1 1
9 1 2 1 1 13 SER QB . 13 . HB# 1 1
10 1 1 1 1 13 SER HA . 13 . HA 1 1
10 1 2 1 1 13 SER HB3 . 13 . HB1 1 1
11 1 1 1 1 13 SER HA . 13 . HA 1 1
11 1 2 1 1 13 SER HB2 . 13 . HB2 1 1
12 1 1 1 1 14 PRO HA . 14 . HA 1 1
12 1 2 1 1 14 PRO HB3 . 14 . HB1 1 1
13 1 1 1 1 15 ALA H . 15 . HN 1 1
13 1 2 1 1 15 ALA HA . 15 . HA 1 1
14 1 1 1 1 15 ALA H . 15 . HN 1 1
14 1 2 1 1 15 ALA MB . 15 . HB# 1 1
15 1 1 1 1 16 ILE H . 16 . HN 1 1
15 1 2 1 1 16 ILE HB . 16 . HB 1 1
16 1 1 1 1 16 ILE H . 16 . HN 1 1
16 1 2 1 1 16 ILE HG13 . 16 . HG11 1 1
17 1 1 1 1 16 ILE H . 16 . HN 1 1
17 1 2 1 1 16 ILE HG12 . 16 . HG12 1 1
18 1 1 1 1 16 ILE H . 16 . HN 1 1
18 1 2 1 1 16 ILE MG . 16 . HG2# 1 1
19 1 1 1 1 16 ILE H . 16 . HN 1 1
19 1 2 1 1 16 ILE MD . 16 . HD# 1 1
20 1 1 1 1 16 ILE HA . 16 . HA 1 1
20 1 2 1 1 16 ILE HB . 16 . HB 1 1
21 1 1 1 1 16 ILE HA . 16 . HA 1 1
21 1 2 1 1 16 ILE HG13 . 16 . HG11 1 1
22 1 1 1 1 16 ILE HA . 16 . HA 1 1
22 1 2 1 1 16 ILE HG12 . 16 . HG12 1 1
23 1 1 1 1 16 ILE HA . 16 . HA 1 1
23 1 2 1 1 16 ILE MG . 16 . HG2# 1 1
24 1 1 1 1 16 ILE HA . 16 . HA 1 1
24 1 2 1 1 16 ILE MD . 16 . HD# 1 1
25 1 1 1 1 16 ILE HB . 16 . HB 1 1
25 1 2 1 1 16 ILE MD . 16 . HD# 1 1
26 1 1 1 1 17 ARG H . 17 . HN 1 1
26 1 2 1 1 17 ARG HB3 . 17 . HB1 1 1
27 1 1 1 1 17 ARG H . 17 . HN 1 1
27 1 2 1 1 17 ARG HB2 . 17 . HB2 1 1
28 1 1 1 1 17 ARG H . 17 . HN 1 1
28 1 2 1 1 17 ARG QG . 17 . HG# 1 1
29 1 1 1 1 17 ARG HA . 17 . HA 1 1
29 1 2 1 1 17 ARG HB3 . 17 . HB1 1 1
30 1 1 1 1 17 ARG HA . 17 . HA 1 1
30 1 2 1 1 17 ARG HB2 . 17 . HB2 1 1
31 1 1 1 1 17 ARG HA . 17 . HA 1 1
31 1 2 1 1 17 ARG QG . 17 . HG# 1 1
32 1 1 1 1 17 ARG HA . 17 . HA 1 1
32 1 2 1 1 17 ARG HD3 . 17 . HD1 1 1
33 1 1 1 1 17 ARG HA . 17 . HA 1 1
33 1 2 1 1 17 ARG HD2 . 17 . HD2 1 1
34 1 1 1 1 17 ARG HB3 . 17 . HB1 1 1
34 1 2 1 1 17 ARG HD3 . 17 . HD1 1 1
35 1 1 1 1 17 ARG HB2 . 17 . HB2 1 1
35 1 2 1 1 17 ARG HD3 . 17 . HD1 1 1
36 1 1 1 1 17 ARG HB3 . 17 . HB1 1 1
36 1 2 1 1 17 ARG HD2 . 17 . HD2 1 1
37 1 1 1 1 17 ARG HB2 . 17 . HB2 1 1
37 1 2 1 1 17 ARG HD2 . 17 . HD2 1 1
38 1 1 1 1 17 ARG HB2 . 17 . HB2 1 1
38 1 2 1 1 17 ARG HE . 17 . HE 1 1
39 1 1 1 1 17 ARG HE . 17 . HE 1 1
39 1 2 1 1 17 ARG QG . 17 . HG# 1 1
40 1 1 1 1 18 ARG H . 18 . HN 1 1
40 1 2 1 1 18 ARG HB3 . 18 . HB1 1 1
41 1 1 1 1 18 ARG H . 18 . HN 1 1
41 1 2 1 1 18 ARG HB2 . 18 . HB2 1 1
42 1 1 1 1 18 ARG H . 18 . HN 1 1
42 1 2 1 1 18 ARG QG . 18 . HG# 1 1
43 1 1 1 1 18 ARG HA . 18 . HA 1 1
43 1 2 1 1 18 ARG HB3 . 18 . HB1 1 1
44 1 1 1 1 18 ARG HA . 18 . HA 1 1
44 1 2 1 1 18 ARG HB2 . 18 . HB2 1 1
45 1 1 1 1 18 ARG HA . 18 . HA 1 1
45 1 2 1 1 18 ARG QD . 18 . HD# 1 1
46 1 1 1 1 18 ARG HB2 . 18 . HB2 1 1
46 1 2 1 1 18 ARG QD . 18 . HD# 1 1
47 1 1 1 1 19 LEU H . 19 . HN 1 1
47 1 2 1 1 19 LEU HA . 19 . HA 1 1
48 1 1 1 1 19 LEU H . 19 . HN 1 1
48 1 2 1 1 19 LEU HB3 . 19 . HB1 1 1
49 1 1 1 1 19 LEU H . 19 . HN 1 1
49 1 2 1 1 19 LEU HB2 . 19 . HB2 1 1
50 1 1 1 1 19 LEU H . 19 . HN 1 1
50 1 2 1 1 19 LEU MD2 . 19 . HD2# 1 1
51 1 1 1 1 19 LEU HA . 19 . HA 1 1
51 1 2 1 1 19 LEU HB3 . 19 . HB1 1 1
52 1 1 1 1 19 LEU HA . 19 . HA 1 1
52 1 2 1 1 19 LEU HB2 . 19 . HB2 1 1
53 1 1 1 1 19 LEU HA . 19 . HA 1 1
53 1 2 1 1 19 LEU MD1 . 19 . HD1# 1 1
54 1 1 1 1 19 LEU HA . 19 . HA 1 1
54 1 2 1 1 19 LEU MD2 . 19 . HD2# 1 1
55 1 1 1 1 19 LEU HB3 . 19 . HB1 1 1
55 1 2 1 1 19 LEU MD1 . 19 . HD1# 1 1
56 1 1 1 1 19 LEU HB3 . 19 . HB1 1 1
56 1 2 1 1 19 LEU MD2 . 19 . HD2# 1 1
57 1 1 1 1 19 LEU HB2 . 19 . HB2 1 1
57 1 2 1 1 19 LEU MD1 . 19 . HD1# 1 1
58 1 1 1 1 19 LEU HB2 . 19 . HB2 1 1
58 1 2 1 1 19 LEU MD2 . 19 . HD2# 1 1
59 1 1 1 1 20 LEU H . 20 . HN 1 1
59 1 2 1 1 20 LEU QB . 20 . HB# 1 1
60 1 1 1 1 20 LEU H . 20 . HN 1 1
60 1 2 1 1 20 LEU HG . 20 . HG 1 1
61 1 1 1 1 20 LEU H . 20 . HN 1 1
61 1 2 1 1 20 LEU MD1 . 20 . HD1# 1 1
62 1 1 1 1 20 LEU H . 20 . HN 1 1
62 1 2 1 1 20 LEU MD2 . 20 . HD2# 1 1
63 1 1 1 1 20 LEU HA . 20 . HA 1 1
63 1 2 1 1 20 LEU HG . 20 . HG 1 1
64 1 1 1 1 20 LEU HA . 20 . HA 1 1
64 1 2 1 1 20 LEU MD1 . 20 . HD1# 1 1
65 1 1 1 1 20 LEU HA . 20 . HA 1 1
65 1 2 1 1 20 LEU MD2 . 20 . HD2# 1 1
66 1 1 1 1 21 ALA H . 21 . HN 1 1
66 1 2 1 1 21 ALA HA . 21 . HA 1 1
67 1 1 1 1 21 ALA H . 21 . HN 1 1
67 1 2 1 1 21 ALA MB . 21 . HB# 1 1
68 1 1 1 1 22 GLU H . 22 . HN 1 1
68 1 2 1 1 22 GLU HA . 22 . HA 1 1
69 1 1 1 1 22 GLU H . 22 . HN 1 1
69 1 2 1 1 22 GLU HB3 . 22 . HB1 1 1
70 1 1 1 1 22 GLU H . 22 . HN 1 1
70 1 2 1 1 22 GLU HB2 . 22 . HB2 1 1
71 1 1 1 1 22 GLU H . 22 . HN 1 1
71 1 2 1 1 22 GLU QG . 22 . HG# 1 1
72 1 1 1 1 22 GLU HA . 22 . HA 1 1
72 1 2 1 1 22 GLU HB3 . 22 . HB1 1 1
73 1 1 1 1 22 GLU HA . 22 . HA 1 1
73 1 2 1 1 22 GLU HB2 . 22 . HB2 1 1
74 1 1 1 1 22 GLU HA . 22 . HA 1 1
74 1 2 1 1 22 GLU QG . 22 . HG# 1 1
75 1 1 1 1 23 HIS H . 23 . HN 1 1
75 1 2 1 1 23 HIS HB3 . 23 . HB1 1 1
76 1 1 1 1 23 HIS H . 23 . HN 1 1
76 1 2 1 1 23 HIS HB2 . 23 . HB2 1 1
77 1 1 1 1 23 HIS H . 23 . HN 1 1
77 1 2 1 1 23 HIS HD2 . 23 . HD2 1 1
78 1 1 1 1 23 HIS HA . 23 . HA 1 1
78 1 2 1 1 23 HIS HB3 . 23 . HB1 1 1
79 1 1 1 1 23 HIS HA . 23 . HA 1 1
79 1 2 1 1 23 HIS HB2 . 23 . HB2 1 1
80 1 1 1 1 23 HIS HA . 23 . HA 1 1
80 1 2 1 1 23 HIS HD2 . 23 . HD2 1 1
81 1 1 1 1 23 HIS HB3 . 23 . HB1 1 1
81 1 2 1 1 23 HIS HD2 . 23 . HD2 1 1
82 1 1 1 1 23 HIS HB2 . 23 . HB2 1 1
82 1 2 1 1 23 HIS HD2 . 23 . HD2 1 1
83 1 1 1 1 23 HIS HA . 23 . HA 1 1
83 1 2 1 1 23 HIS HE1 . 23 . HE1 1 1
84 1 1 1 1 23 HIS HB3 . 23 . HB1 1 1
84 1 2 1 1 23 HIS HE1 . 23 . HE1 1 1
85 1 1 1 1 24 ASN H . 24 . HN 1 1
85 1 2 1 1 24 ASN HA . 24 . HA 1 1
86 1 1 1 1 24 ASN H . 24 . HN 1 1
86 1 2 1 1 24 ASN HB3 . 24 . HB1 1 1
87 1 1 1 1 24 ASN H . 24 . HN 1 1
87 1 2 1 1 24 ASN HB2 . 24 . HB2 1 1
88 1 1 1 1 24 ASN HA . 24 . HA 1 1
88 1 2 1 1 24 ASN HB3 . 24 . HB1 1 1
89 1 1 1 1 24 ASN HA . 24 . HA 1 1
89 1 2 1 1 24 ASN HB2 . 24 . HB2 1 1
90 1 1 1 1 25 LEU H . 25 . HN 1 1
90 1 2 1 1 25 LEU HB3 . 25 . HB1 1 1
91 1 1 1 1 25 LEU H . 25 . HN 1 1
91 1 2 1 1 25 LEU HB2 . 25 . HB2 1 1
92 1 1 1 1 25 LEU H . 25 . HN 1 1
92 1 2 1 1 25 LEU HG . 25 . HG 1 1
93 1 1 1 1 25 LEU H . 25 . HN 1 1
93 1 2 1 1 25 LEU MD1 . 25 . HD1# 1 1
94 1 1 1 1 25 LEU H . 25 . HN 1 1
94 1 2 1 1 25 LEU MD2 . 25 . HD2# 1 1
95 1 1 1 1 25 LEU HA . 25 . HA 1 1
95 1 2 1 1 25 LEU HB3 . 25 . HB1 1 1
96 1 1 1 1 25 LEU HA . 25 . HA 1 1
96 1 2 1 1 25 LEU HB2 . 25 . HB2 1 1
97 1 1 1 1 25 LEU HA . 25 . HA 1 1
97 1 2 1 1 25 LEU MD1 . 25 . HD1# 1 1
98 1 1 1 1 25 LEU HA . 25 . HA 1 1
98 1 2 1 1 25 LEU MD2 . 25 . HD2# 1 1
99 1 1 1 1 25 LEU HB2 . 25 . HB2 1 1
99 1 2 1 1 25 LEU MD1 . 25 . HD1# 1 1
100 1 1 1 1 25 LEU HB2 . 25 . HB2 1 1
100 1 2 1 1 25 LEU MD2 . 25 . HD2# 1 1
101 1 1 1 1 25 LEU HB3 . 25 . HB1 1 1
101 1 2 1 1 25 LEU MD1 . 25 . HD1# 1 1
102 1 1 1 1 25 LEU HB3 . 25 . HB1 1 1
102 1 2 1 1 25 LEU MD2 . 25 . HD2# 1 1
103 1 1 1 1 26 ASP H . 26 . HN 1 1
103 1 2 1 1 26 ASP HB3 . 26 . HB1 1 1
104 1 1 1 1 26 ASP H . 26 . HN 1 1
104 1 2 1 1 26 ASP HB2 . 26 . HB2 1 1
105 1 1 1 1 26 ASP HA . 26 . HA 1 1
105 1 2 1 1 26 ASP HB3 . 26 . HB1 1 1
106 1 1 1 1 26 ASP HA . 26 . HA 1 1
106 1 2 1 1 26 ASP HB2 . 26 . HB2 1 1
107 1 1 1 1 27 ALA H . 27 . HN 1 1
107 1 2 1 1 27 ALA MB . 27 . HB# 1 1
108 1 1 1 1 28 SER H . 28 . HN 1 1
108 1 2 1 1 28 SER QB . 28 . HB# 1 1
109 1 1 1 1 28 SER HA . 28 . HA 1 1
109 1 2 1 1 28 SER HB3 . 28 . HB1 1 1
110 1 1 1 1 28 SER HA . 28 . HA 1 1
110 1 2 1 1 28 SER HB2 . 28 . HB2 1 1
111 1 1 1 1 29 ALA H . 29 . HN 1 1
111 1 2 1 1 29 ALA MB . 29 . HB# 1 1
112 1 1 1 1 30 ILE H . 30 . HN 1 1
112 1 2 1 1 30 ILE HB . 30 . HB 1 1
113 1 1 1 1 30 ILE H . 30 . HN 1 1
113 1 2 1 1 30 ILE HG13 . 30 . HG11 1 1
114 1 1 1 1 30 ILE H . 30 . HN 1 1
114 1 2 1 1 30 ILE HG12 . 30 . HG12 1 1
115 1 1 1 1 30 ILE H . 30 . HN 1 1
115 1 2 1 1 30 ILE MG . 30 . HG2# 1 1
116 1 1 1 1 30 ILE HA . 30 . HA 1 1
116 1 2 1 1 30 ILE HG13 . 30 . HG11 1 1
117 1 1 1 1 30 ILE HA . 30 . HA 1 1
117 1 2 1 1 30 ILE HG12 . 30 . HG12 1 1
118 1 1 1 1 30 ILE HA . 30 . HA 1 1
118 1 2 1 1 30 ILE MG . 30 . HG2# 1 1
119 1 1 1 1 30 ILE HA . 30 . HA 1 1
119 1 2 1 1 30 ILE MD . 30 . HD# 1 1
120 1 1 1 1 31 LYS H . 31 . HN 1 1
120 1 2 1 1 31 LYS QB . 31 . HB# 1 1
121 1 1 1 1 32 GLY H . 32 . HN 1 1
121 1 2 1 1 32 GLY QA . 32 . HA# 1 1
122 1 1 1 1 33 THR H . 33 . HN 1 1
122 1 2 1 1 33 THR MG . 33 . HG2# 1 1
123 1 1 1 1 33 THR HA . 33 . HA 1 1
123 1 2 1 1 33 THR HB . 33 . HB 1 1
124 1 1 1 1 33 THR HA . 33 . HA 1 1
124 1 2 1 1 33 THR MG . 33 . HG2# 1 1
125 1 1 1 1 34 GLY H . 34 . HN 1 1
125 1 2 1 1 34 GLY QA . 34 . HA# 1 1
126 1 1 1 1 35 VAL H . 35 . HN 1 1
126 1 2 1 1 35 VAL HB . 35 . HB 1 1
127 1 1 1 1 35 VAL H . 35 . HN 1 1
127 1 2 1 1 35 VAL MG1 . 35 . HG1# 1 1
128 1 1 1 1 35 VAL H . 35 . HN 1 1
128 1 2 1 1 35 VAL MG2 . 35 . HG2# 1 1
129 1 1 1 1 35 VAL HA . 35 . HA 1 1
129 1 2 1 1 35 VAL HB . 35 . HB 1 1
130 1 1 1 1 35 VAL HA . 35 . HA 1 1
130 1 2 1 1 35 VAL MG1 . 35 . HG1# 1 1
131 1 1 1 1 35 VAL HA . 35 . HA 1 1
131 1 2 1 1 35 VAL MG2 . 35 . HG2# 1 1
132 1 1 1 1 36 GLY H . 36 . HN 1 1
132 1 2 1 1 36 GLY QA . 36 . HA# 1 1
133 1 1 1 1 37 GLY H . 37 . HN 1 1
133 1 2 1 1 37 GLY HA3 . 37 . HA1 1 1
134 1 1 1 1 37 GLY H . 37 . HN 1 1
134 1 2 1 1 37 GLY HA2 . 37 . HA2 1 1
135 1 1 1 1 38 ARG H . 38 . HN 1 1
135 1 2 1 1 38 ARG QG . 38 . HG# 1 1
136 1 1 1 1 38 ARG HA . 38 . HA 1 1
136 1 2 1 1 38 ARG QD . 38 . HD# 1 1
137 1 1 1 1 38 ARG QB . 38 . HB# 1 1
137 1 2 1 1 38 ARG HE . 38 . HE 1 1
138 1 1 1 1 39 LEU H . 39 . HN 1 1
138 1 2 1 1 39 LEU HB3 . 39 . HB1 1 1
139 1 1 1 1 39 LEU H . 39 . HN 1 1
139 1 2 1 1 39 LEU HB2 . 39 . HB2 1 1
140 1 1 1 1 39 LEU H . 39 . HN 1 1
140 1 2 1 1 39 LEU MD1 . 39 . HD1# 1 1
141 1 1 1 1 39 LEU H . 39 . HN 1 1
141 1 2 1 1 39 LEU MD2 . 39 . HD2# 1 1
142 1 1 1 1 39 LEU HA . 39 . HA 1 1
142 1 2 1 1 39 LEU HB3 . 39 . HB1 1 1
143 1 1 1 1 39 LEU HA . 39 . HA 1 1
143 1 2 1 1 39 LEU HB2 . 39 . HB2 1 1
144 1 1 1 1 39 LEU HA . 39 . HA 1 1
144 1 2 1 1 39 LEU HG . 39 . HG 1 1
145 1 1 1 1 39 LEU HA . 39 . HA 1 1
145 1 2 1 1 39 LEU MD1 . 39 . HD1# 1 1
146 1 1 1 1 39 LEU HA . 39 . HA 1 1
146 1 2 1 1 39 LEU MD2 . 39 . HD2# 1 1
147 1 1 1 1 40 THR H . 40 . HN 1 1
147 1 2 1 1 40 THR MG . 40 . HG2# 1 1
148 1 1 1 1 40 THR HA . 40 . HA 1 1
148 1 2 1 1 40 THR HB . 40 . HB 1 1
149 1 1 1 1 40 THR HA . 40 . HA 1 1
149 1 2 1 1 40 THR MG . 40 . HG2# 1 1
150 1 1 1 1 41 ARG H . 41 . HN 1 1
150 1 2 1 1 41 ARG HB3 . 41 . HB1 1 1
151 1 1 1 1 41 ARG H . 41 . HN 1 1
151 1 2 1 1 41 ARG HB2 . 41 . HB2 1 1
152 1 1 1 1 41 ARG H . 41 . HN 1 1
152 1 2 1 1 41 ARG QG . 41 . HG# 1 1
153 1 1 1 1 41 ARG H . 41 . HN 1 1
153 1 2 1 1 41 ARG QD . 41 . HD# 1 1
154 1 1 1 1 41 ARG HA . 41 . HA 1 1
154 1 2 1 1 41 ARG HB2 . 41 . HB2 1 1
155 1 1 1 1 41 ARG HA . 41 . HA 1 1
155 1 2 1 1 41 ARG QG . 41 . HG# 1 1
156 1 1 1 1 41 ARG HA . 41 . HA 1 1
156 1 2 1 1 41 ARG QD . 41 . HD# 1 1
157 1 1 1 1 41 ARG HB2 . 41 . HB2 1 1
157 1 2 1 1 41 ARG QD . 41 . HD# 1 1
158 1 1 1 1 41 ARG HB2 . 41 . HB2 1 1
158 1 2 1 1 41 ARG HE . 41 . HE 1 1
159 1 1 1 1 42 GLU H . 42 . HN 1 1
159 1 2 1 1 42 GLU HA . 42 . HA 1 1
160 1 1 1 1 42 GLU H . 42 . HN 1 1
160 1 2 1 1 42 GLU HB3 . 42 . HB1 1 1
161 1 1 1 1 42 GLU H . 42 . HN 1 1
161 1 2 1 1 42 GLU HB2 . 42 . HB2 1 1
162 1 1 1 1 42 GLU H . 42 . HN 1 1
162 1 2 1 1 42 GLU QG . 42 . HG# 1 1
163 1 1 1 1 42 GLU HA . 42 . HA 1 1
163 1 2 1 1 42 GLU HB3 . 42 . HB1 1 1
164 1 1 1 1 42 GLU HA . 42 . HA 1 1
164 1 2 1 1 42 GLU HB2 . 42 . HB2 1 1
165 1 1 1 1 42 GLU HA . 42 . HA 1 1
165 1 2 1 1 42 GLU QG . 42 . HG# 1 1
166 1 1 1 1 43 ASP H . 43 . HN 1 1
166 1 2 1 1 43 ASP QB . 43 . HB# 1 1
167 1 1 1 1 43 ASP HA . 43 . HA 1 1
167 1 2 1 1 43 ASP HB3 . 43 . HB1 1 1
168 1 1 1 1 43 ASP HA . 43 . HA 1 1
168 1 2 1 1 43 ASP HB2 . 43 . HB2 1 1
169 1 1 1 1 44 VAL H . 44 . HN 1 1
169 1 2 1 1 44 VAL HB . 44 . HB 1 1
170 1 1 1 1 44 VAL H . 44 . HN 1 1
170 1 2 1 1 44 VAL MG1 . 44 . HG1# 1 1
171 1 1 1 1 44 VAL H . 44 . HN 1 1
171 1 2 1 1 44 VAL MG2 . 44 . HG2# 1 1
172 1 1 1 1 44 VAL HA . 44 . HA 1 1
172 1 2 1 1 44 VAL HB . 44 . HB 1 1
173 1 1 1 1 44 VAL HA . 44 . HA 1 1
173 1 2 1 1 44 VAL MG1 . 44 . HG1# 1 1
174 1 1 1 1 44 VAL HA . 44 . HA 1 1
174 1 2 1 1 44 VAL MG2 . 44 . HG2# 1 1
175 1 1 1 1 45 GLU H . 45 . HN 1 1
175 1 2 1 1 45 GLU HB3 . 45 . HB1 1 1
176 1 1 1 1 45 GLU H . 45 . HN 1 1
176 1 2 1 1 45 GLU HB2 . 45 . HB2 1 1
177 1 1 1 1 45 GLU H . 45 . HN 1 1
177 1 2 1 1 45 GLU QG . 45 . HG# 1 1
178 1 1 1 1 45 GLU HA . 45 . HA 1 1
178 1 2 1 1 45 GLU QG . 45 . HG# 1 1
179 1 1 1 1 46 LYS H . 46 . HN 1 1
179 1 2 1 1 46 LYS QB . 46 . HB# 1 1
180 1 1 1 1 47 HIS H . 47 . HN 1 1
180 1 2 1 1 47 HIS HA . 47 . HA 1 1
181 1 1 1 1 47 HIS H . 47 . HN 1 1
181 1 2 1 1 47 HIS HB3 . 47 . HB1 1 1
182 1 1 1 1 47 HIS H . 47 . HN 1 1
182 1 2 1 1 47 HIS HB2 . 47 . HB2 1 1
183 1 1 1 1 47 HIS HA . 47 . HA 1 1
183 1 2 1 1 47 HIS HB3 . 47 . HB1 1 1
184 1 1 1 1 47 HIS HA . 47 . HA 1 1
184 1 2 1 1 47 HIS HB2 . 47 . HB2 1 1
185 1 1 1 1 47 HIS HA . 47 . HA 1 1
185 1 2 1 1 47 HIS HD2 . 47 . HD2 1 1
186 1 1 1 1 47 HIS HB3 . 47 . HB1 1 1
186 1 2 1 1 47 HIS HD2 . 47 . HD2 1 1
187 1 1 1 1 47 HIS HB2 . 47 . HB2 1 1
187 1 2 1 1 47 HIS HD2 . 47 . HD2 1 1
188 1 1 1 1 48 LEU H . 48 . HN 1 1
188 1 2 1 1 48 LEU HA . 48 . HA 1 1
189 1 1 1 1 48 LEU H . 48 . HN 1 1
189 1 2 1 1 48 LEU HB3 . 48 . HB1 1 1
190 1 1 1 1 48 LEU H . 48 . HN 1 1
190 1 2 1 1 48 LEU HB2 . 48 . HB2 1 1
191 1 1 1 1 48 LEU H . 48 . HN 1 1
191 1 2 1 1 48 LEU HG . 48 . HG 1 1
192 1 1 1 1 48 LEU H . 48 . HN 1 1
192 1 2 1 1 48 LEU MD1 . 48 . HD1# 1 1
193 1 1 1 1 48 LEU H . 48 . HN 1 1
193 1 2 1 1 48 LEU MD2 . 48 . HD2# 1 1
194 1 1 1 1 48 LEU HA . 48 . HA 1 1
194 1 2 1 1 48 LEU HG . 48 . HG 1 1
195 1 1 1 1 48 LEU HA . 48 . HA 1 1
195 1 2 1 1 48 LEU MD1 . 48 . HD1# 1 1
196 1 1 1 1 48 LEU HA . 48 . HA 1 1
196 1 2 1 1 48 LEU MD2 . 48 . HD2# 1 1
197 1 1 1 1 48 LEU HB3 . 48 . HB1 1 1
197 1 2 1 1 48 LEU MD1 . 48 . HD1# 1 1
198 1 1 1 1 48 LEU HB3 . 48 . HB1 1 1
198 1 2 1 1 48 LEU MD2 . 48 . HD2# 1 1
199 1 1 1 1 48 LEU HB2 . 48 . HB2 1 1
199 1 2 1 1 48 LEU MD1 . 48 . HD1# 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 . . . . . 4.0 1.8 5.0 1 1
2 1 . . . . . 3.0 1.8 3.3 1 1
3 1 . . . . . 4.0 1.8 5.0 1 1
4 1 . . . . . 4.0 1.8 7.4 1 1
5 1 . . . . . 3.0 1.8 3.3 1 1
6 1 . . . . . 3.0 1.8 3.3 1 1
7 1 . . . . . 4.0 1.8 5.0 1 1
8 1 . . . . . 3.0 1.8 5.7 1 1
9 1 . . . . . 3.0 1.8 4.3 1 1
10 1 . . . . . 3.0 1.8 3.3 1 1
11 1 . . . . . 3.0 1.8 3.3 1 1
12 1 . . . . . 3.0 1.8 3.3 1 1
13 1 . . . . . 3.0 1.8 3.3 1 1
14 1 . . . . . 3.0 1.8 4.8 1 1
15 1 . . . . . 2.5 1.8 2.8 1 1
16 1 . . . . . 4.0 1.8 5.0 1 1
17 1 . . . . . 4.0 1.8 5.0 1 1
18 1 . . . . . 4.0 1.8 6.5 1 1
19 1 . . . . . 4.0 1.8 6.5 1 1
20 1 . . . . . 3.0 1.8 3.3 1 1
21 1 . . . . . 3.0 1.8 3.3 1 1
22 1 . . . . . 4.0 1.8 5.0 1 1
23 1 . . . . . 3.0 1.8 4.8 1 1
24 1 . . . . . 3.0 1.8 4.8 1 1
25 1 . . . . . 3.0 1.8 4.8 1 1
26 1 . . . . . 4.0 1.8 5.0 1 1
27 1 . . . . . 3.0 1.8 3.3 1 1
28 1 . . . . . 4.0 1.8 6.0 1 1
29 1 . . . . . 3.0 1.8 3.3 1 1
30 1 . . . . . 3.0 1.8 3.3 1 1
31 1 . . . . . 3.0 1.8 4.3 1 1
32 1 . . . . . 5.0 2.5 6.0 1 1
33 1 . . . . . 5.0 2.5 6.0 1 1
34 1 . . . . . 4.0 1.8 5.0 1 1
35 1 . . . . . 4.0 1.8 5.0 1 1
36 1 . . . . . 4.0 1.8 5.0 1 1
37 1 . . . . . 4.0 1.8 5.0 1 1
38 1 . . . . . 4.0 1.8 5.0 1 1
39 1 . . . . . 5.0 2.5 7.0 1 1
40 1 . . . . . 4.0 1.8 5.0 1 1
41 1 . . . . . 3.0 1.8 3.3 1 1
42 1 . . . . . 4.0 1.8 6.0 1 1
43 1 . . . . . 3.0 1.8 3.3 1 1
44 1 . . . . . 3.0 1.8 3.3 1 1
45 1 . . . . . 4.0 1.8 6.0 1 1
46 1 . . . . . 3.0 1.8 4.3 1 1
47 1 . . . . . 3.0 1.8 3.3 1 1
48 1 . . . . . 3.0 1.8 3.3 1 1
49 1 . . . . . 3.0 1.8 3.3 1 1
50 1 . . . . . 4.0 1.8 6.5 1 1
51 1 . . . . . 3.0 1.8 3.3 1 1
52 1 . . . . . 3.0 1.8 3.3 1 1
53 1 . . . . . 3.0 1.8 4.8 1 1
54 1 . . . . . 4.0 1.8 6.5 1 1
55 1 . . . . . 3.0 1.8 4.8 1 1
56 1 . . . . . 3.0 1.8 4.8 1 1
57 1 . . . . . 3.0 1.8 4.8 1 1
58 1 . . . . . 3.0 1.8 4.8 1 1
59 1 . . . . . 3.0 1.8 4.3 1 1
60 1 . . . . . 4.0 1.8 5.0 1 1
61 1 . . . . . 4.0 1.8 6.5 1 1
62 1 . . . . . 4.0 1.8 6.5 1 1
63 1 . . . . . 4.0 1.8 5.0 1 1
64 1 . . . . . 4.0 1.8 6.5 1 1
65 1 . . . . . 3.0 1.8 4.8 1 1
66 1 . . . . . 3.0 1.8 3.3 1 1
67 1 . . . . . 3.0 1.8 4.8 1 1
68 1 . . . . . 3.0 1.8 3.3 1 1
69 1 . . . . . 3.0 1.8 3.3 1 1
70 1 . . . . . 4.0 1.8 5.0 1 1
71 1 . . . . . 4.0 1.8 6.0 1 1
72 1 . . . . . 3.0 1.8 3.3 1 1
73 1 . . . . . 3.0 1.8 3.3 1 1
74 1 . . . . . 3.0 1.8 4.3 1 1
75 1 . . . . . 4.0 1.8 5.0 1 1
76 1 . . . . . 3.0 1.8 3.3 1 1
77 1 . . . . . 4.0 1.8 5.0 1 1
78 1 . . . . . 2.5 1.8 2.8 1 1
79 1 . . . . . 3.0 1.8 3.3 1 1
80 1 . . . . . 4.0 1.8 5.0 1 1
81 1 . . . . . 4.0 1.8 5.0 1 1
82 1 . . . . . 4.0 1.8 5.0 1 1
83 1 . . . . . 5.0 2.5 6.0 1 1
84 1 . . . . . 5.0 2.5 6.0 1 1
85 1 . . . . . 2.5 1.8 2.8 1 1
86 1 . . . . . 4.0 1.8 5.0 1 1
87 1 . . . . . 4.0 1.8 5.0 1 1
88 1 . . . . . 3.0 1.8 3.3 1 1
89 1 . . . . . 3.0 1.8 3.3 1 1
90 1 . . . . . 4.0 1.8 5.0 1 1
91 1 . . . . . 3.0 1.8 3.3 1 1
92 1 . . . . . 4.0 1.8 5.0 1 1
93 1 . . . . . 4.0 1.8 6.5 1 1
94 1 . . . . . 4.0 1.8 6.5 1 1
95 1 . . . . . 3.0 1.8 4.3 1 1
96 1 . . . . . 3.0 1.8 4.3 1 1
97 1 . . . . . 4.0 1.8 6.5 1 1
98 1 . . . . . 3.0 1.8 4.8 1 1
99 1 . . . . . 3.0 1.8 4.8 1 1
100 1 . . . . . 3.0 1.8 4.8 1 1
101 1 . . . . . 3.0 1.8 4.8 1 1
102 1 . . . . . 3.0 1.8 4.8 1 1
103 1 . . . . . 4.0 1.8 5.0 1 1
104 1 . . . . . 4.0 1.8 5.0 1 1
105 1 . . . . . 3.0 1.8 3.3 1 1
106 1 . . . . . 3.0 1.8 3.3 1 1
107 1 . . . . . 3.0 1.8 4.8 1 1
108 1 . . . . . 3.0 1.8 4.3 1 1
109 1 . . . . . 3.0 1.8 3.3 1 1
110 1 . . . . . 3.0 1.8 3.3 1 1
111 1 . . . . . 3.0 1.8 4.8 1 1
112 1 . . . . . 3.0 1.8 3.3 1 1
113 1 . . . . . 4.0 1.8 5.0 1 1
114 1 . . . . . 4.0 1.8 5.0 1 1
115 1 . . . . . 4.0 1.8 6.5 1 1
116 1 . . . . . 4.0 1.8 5.0 1 1
117 1 . . . . . 3.0 1.8 3.3 1 1
118 1 . . . . . 3.0 1.8 4.8 1 1
119 1 . . . . . 4.0 1.8 6.5 1 1
120 1 . . . . . 3.0 1.8 4.3 1 1
121 1 . . . . . 2.5 1.8 3.8 1 1
122 1 . . . . . 4.0 1.8 6.5 1 1
123 1 . . . . . 3.0 1.8 3.3 1 1
124 1 . . . . . 3.0 1.8 4.8 1 1
125 1 . . . . . 2.5 1.8 3.8 1 1
126 1 . . . . . 3.0 1.8 3.3 1 1
127 1 . . . . . 4.0 1.8 6.5 1 1
128 1 . . . . . 3.0 1.8 4.8 1 1
129 1 . . . . . 3.0 1.8 3.3 1 1
130 1 . . . . . 3.0 1.8 4.8 1 1
131 1 . . . . . 3.0 1.8 4.8 1 1
132 1 . . . . . 2.5 1.8 3.8 1 1
133 1 . . . . . 3.0 1.8 3.3 1 1
134 1 . . . . . 2.5 1.8 2.8 1 1
135 1 . . . . . 4.0 1.8 6.0 1 1
136 1 . . . . . 4.0 1.8 6.0 1 1
137 1 . . . . . 4.0 1.8 6.0 1 1
138 1 . . . . . 3.0 1.8 3.3 1 1
139 1 . . . . . 3.0 1.8 3.3 1 1
140 1 . . . . . 4.0 1.8 6.5 1 1
141 1 . . . . . 4.0 1.8 6.5 1 1
142 1 . . . . . 3.0 1.8 3.3 1 1
143 1 . . . . . 2.5 1.8 2.8 1 1
144 1 . . . . . 4.0 1.8 5.0 1 1
145 1 . . . . . 3.0 1.8 4.8 1 1
146 1 . . . . . 3.0 1.8 4.8 1 1
147 1 . . . . . 4.0 1.8 6.5 1 1
148 1 . . . . . 3.0 1.8 3.3 1 1
149 1 . . . . . 3.0 1.8 4.8 1 1
150 1 . . . . . 3.0 1.8 3.3 1 1
151 1 . . . . . 3.0 1.8 3.3 1 1
152 1 . . . . . 4.0 1.8 6.0 1 1
153 1 . . . . . 5.0 2.5 7.0 1 1
154 1 . . . . . 2.5 1.8 2.8 1 1
155 1 . . . . . 3.0 1.8 4.3 1 1
156 1 . . . . . 4.0 1.8 6.0 1 1
157 1 . . . . . 3.0 1.8 4.3 1 1
158 1 . . . . . 5.0 2.5 6.0 1 1
159 1 . . . . . 3.0 1.8 3.3 1 1
160 1 . . . . . 4.0 1.8 5.0 1 1
161 1 . . . . . 3.0 1.8 3.3 1 1
162 1 . . . . . 5.0 2.5 7.0 1 1
163 1 . . . . . 3.0 1.8 3.3 1 1
164 1 . . . . . 3.0 1.8 3.3 1 1
165 1 . . . . . 3.0 1.8 4.3 1 1
166 1 . . . . . 3.0 1.8 4.3 1 1
167 1 . . . . . 3.0 1.8 3.3 1 1
168 1 . . . . . 3.0 1.8 3.3 1 1
169 1 . . . . . 2.5 1.8 2.8 1 1
170 1 . . . . . 4.0 1.8 6.5 1 1
171 1 . . . . . 3.0 1.8 4.8 1 1
172 1 . . . . . 3.0 1.8 3.3 1 1
173 1 . . . . . 3.0 1.8 4.8 1 1
174 1 . . . . . 3.0 1.8 4.8 1 1
175 1 . . . . . 4.0 1.8 5.0 1 1
176 1 . . . . . 3.0 1.8 3.3 1 1
177 1 . . . . . 4.0 1.8 6.0 1 1
178 1 . . . . . 3.0 1.8 4.3 1 1
179 1 . . . . . 3.0 1.8 4.3 1 1
180 1 . . . . . 3.0 1.8 3.3 1 1
181 1 . . . . . 3.0 1.8 3.3 1 1
182 1 . . . . . 4.0 1.8 5.0 1 1
183 1 . . . . . 3.0 1.8 3.3 1 1
184 1 . . . . . 3.0 1.8 3.3 1 1
185 1 . . . . . 5.0 2.5 6.0 1 1
186 1 . . . . . 4.0 1.8 5.0 1 1
187 1 . . . . . 4.0 1.8 5.0 1 1
188 1 . . . . . 3.0 1.8 3.3 1 1
189 1 . . . . . 4.0 1.8 5.0 1 1
190 1 . . . . . 3.0 1.8 3.3 1 1
191 1 . . . . . 4.0 1.8 5.0 1 1
192 1 . . . . . 4.0 1.8 6.5 1 1
193 1 . . . . . 4.0 1.8 6.5 1 1
194 1 . . . . . 4.0 1.8 5.0 1 1
195 1 . . . . . 4.0 1.8 6.5 1 1
196 1 . . . . . 2.5 1.8 4.3 1 1
197 1 . . . . . 3.0 1.8 4.8 1 1
198 1 . . . . . 3.0 1.8 4.8 1 1
199 1 . . . . . 2.5 1.8 4.3 1 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 2
2 1 . . . 1 2
3 1 . . . 1 2
4 1 . . . 1 2
5 1 . . . 1 2
6 1 . . . 1 2
7 1 . . . 1 2
8 1 . . . 1 2
9 1 . . . 1 2
10 1 . . . 1 2
11 1 . . . 1 2
12 1 . . . 1 2
13 1 . . . 1 2
14 1 . . . 1 2
15 1 . . . 1 2
16 1 . . . 1 2
17 1 . . . 1 2
18 1 . . . 1 2
19 1 . . . 1 2
20 1 . . . 1 2
21 1 . . . 1 2
22 1 . . . 1 2
23 1 . . . 1 2
24 1 . . . 1 2
25 1 . . . 1 2
26 1 . . . 1 2
27 1 . . . 1 2
28 1 . . . 1 2
29 1 . . . 1 2
30 1 . . . 1 2
31 1 . . . 1 2
32 1 . . . 1 2
33 1 . . . 1 2
34 1 . . . 1 2
35 1 . . . 1 2
36 1 . . . 1 2
37 1 . . . 1 2
38 1 . . . 1 2
39 1 . . . 1 2
40 1 . . . 1 2
41 1 . . . 1 2
42 1 . . . 1 2
43 1 . . . 1 2
44 1 . . . 1 2
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 16 ILE MD . 16 . HD# 1 2
1 1 2 1 1 40 THR HA . 40 . HA 1 2
2 1 1 1 1 16 ILE MD . 16 . HD# 1 2
2 1 2 1 1 41 ARG H . 41 . HN 1 2
3 1 1 1 1 16 ILE HG13 . 16 . HG11 1 2
3 1 2 1 1 41 ARG HA . 41 . HA 1 2
4 1 1 1 1 16 ILE MD . 16 . HD# 1 2
4 1 2 1 1 41 ARG HA . 41 . HA 1 2
5 1 1 1 1 19 LEU MD1 . 19 . HD1# 1 2
5 1 2 1 1 48 LEU MD1 . 48 . HD1# 1 2
6 1 1 1 1 19 LEU MD2 . 19 . HD2# 1 2
6 1 2 1 1 44 VAL MG1 . 44 . HG1# 1 2
7 1 1 1 1 19 LEU MD2 . 19 . HD2# 1 2
7 1 2 1 1 44 VAL MG2 . 44 . HG2# 1 2
8 1 1 1 1 20 LEU MD2 . 20 . HD2# 1 2
8 1 2 1 1 44 VAL MG2 . 44 . HG2# 1 2
9 1 1 1 1 23 HIS HB3 . 23 . HB1 1 2
9 1 2 1 1 48 LEU MD2 . 48 . HD2# 1 2
10 1 1 1 1 23 HIS HB2 . 23 . HB2 1 2
10 1 2 1 1 48 LEU MD2 . 48 . HD2# 1 2
11 1 1 1 1 23 HIS HD2 . 23 . HD2 1 2
11 1 2 1 1 48 LEU MD1 . 48 . HD1# 1 2
12 1 1 1 1 23 HIS HD2 . 23 . HD2 1 2
12 1 2 1 1 48 LEU MD2 . 48 . HD2# 1 2
13 1 1 1 1 23 HIS HE1 . 23 . HE1 1 2
13 1 2 1 1 48 LEU MD1 . 48 . HD1# 1 2
14 1 1 1 1 23 HIS HE1 . 23 . HE1 1 2
14 1 2 1 1 48 LEU MD2 . 48 . HD2# 1 2
15 1 1 1 1 25 LEU MD1 . 25 . HD1# 1 2
15 1 2 1 1 47 HIS HD2 . 47 . HD2 1 2
16 1 1 1 1 25 LEU MD2 . 25 . HD2# 1 2
16 1 2 1 1 47 HIS HD2 . 47 . HD2 1 2
17 1 1 1 1 25 LEU MD1 . 25 . HD1# 1 2
17 1 2 1 1 47 HIS HB3 . 47 . HB1 1 2
18 1 1 1 1 27 ALA H . 27 . HN 1 2
18 1 2 1 1 39 LEU MD2 . 39 . HD2# 1 2
19 1 1 1 1 29 ALA MB . 29 . HB# 1 2
19 1 2 1 1 47 HIS HE1 . 47 . HE1 1 2
20 1 1 1 1 30 ILE MG . 30 . HG2# 1 2
20 1 2 1 1 43 ASP HB3 . 43 . HB1 1 2
21 1 1 1 1 30 ILE MG . 30 . HG2# 1 2
21 1 2 1 1 43 ASP HB2 . 43 . HB2 1 2
22 1 1 1 1 30 ILE HG13 . 30 . HG11 1 2
22 1 2 1 1 43 ASP HB3 . 43 . HB1 1 2
23 1 1 1 1 30 ILE HG12 . 30 . HG12 1 2
23 1 2 1 1 44 VAL HA . 44 . HA 1 2
24 1 1 1 1 30 ILE HG13 . 30 . HG11 1 2
24 1 2 1 1 44 VAL HA . 44 . HA 1 2
25 1 1 1 1 30 ILE HG13 . 30 . HG11 1 2
25 1 2 1 1 44 VAL MG2 . 44 . HG2# 1 2
26 1 1 1 1 30 ILE MG . 30 . HG2# 1 2
26 1 2 1 1 44 VAL HA . 44 . HA 1 2
27 1 1 1 1 30 ILE HG13 . 30 . HG11 1 2
27 1 2 1 1 47 HIS HB3 . 47 . HB1 1 2
28 1 1 1 1 30 ILE HG13 . 30 . HG11 1 2
28 1 2 1 1 47 HIS HB2 . 47 . HB2 1 2
29 1 1 1 1 30 ILE HG13 . 30 . HG11 1 2
29 1 2 1 1 47 HIS HD2 . 47 . HD2 1 2
30 1 1 1 1 30 ILE HG13 . 30 . HG11 1 2
30 1 2 1 1 47 HIS HE1 . 47 . HE1 1 2
31 1 1 1 1 30 ILE MG . 30 . HG2# 1 2
31 1 2 1 1 47 HIS HB3 . 47 . HB1 1 2
32 1 1 1 1 30 ILE MG . 30 . HG2# 1 2
32 1 2 1 1 47 HIS HB2 . 47 . HB2 1 2
33 1 1 1 1 30 ILE MG . 30 . HG2# 1 2
33 1 2 1 1 47 HIS HE1 . 47 . HE1 1 2
34 1 1 1 1 30 ILE MD . 30 . HD# 1 2
34 1 2 1 1 47 HIS HB3 . 47 . HB1 1 2
35 1 1 1 1 30 ILE MD . 30 . HD# 1 2
35 1 2 1 1 47 HIS HE1 . 47 . HE1 1 2
36 1 1 1 1 32 GLY HA3 . 32 . HA1 1 2
36 1 2 1 1 39 LEU HA . 39 . HA 1 2
37 1 1 1 1 32 GLY HA2 . 32 . HA2 1 2
37 1 2 1 1 39 LEU HA . 39 . HA 1 2
38 1 1 1 1 32 GLY HA3 . 32 . HA1 1 2
38 1 2 1 1 39 LEU QD . 39 . HD* 1 2
39 1 1 1 1 32 GLY HA2 . 32 . HA2 1 2
39 1 2 1 1 39 LEU MD1 . 39 . HD1# 1 2
40 1 1 1 1 32 GLY HA2 . 32 . HA2 1 2
40 1 2 1 1 39 LEU MD2 . 39 . HD2# 1 2
41 1 1 1 1 32 GLY HA2 . 32 . HA2 1 2
41 1 2 1 1 40 THR MG . 40 . HG2# 1 2
42 1 1 1 1 34 GLY H . 34 . HN 1 2
42 1 2 1 1 40 THR MG . 40 . HG2# 1 2
43 1 1 1 1 34 GLY HA3 . 34 . HA1 1 2
43 1 2 1 1 40 THR MG . 40 . HG2# 1 2
44 1 1 1 1 34 GLY HA2 . 34 . HA2 1 2
44 1 2 1 1 40 THR MG . 40 . HG2# 1 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 3.0 1.8 4.8 1 2
2 1 . . . . . 4.0 1.8 6.5 1 2
3 1 . . . . . 4.0 1.8 5.0 1 2
4 1 . . . . . 4.0 1.8 6.5 1 2
5 1 . . . . . 3.0 1.8 6.3 1 2
6 1 . . . . . 4.0 1.8 8.0 1 2
7 1 . . . . . 4.0 1.8 8.0 1 2
8 1 . . . . . 3.0 1.8 6.3 1 2
9 1 . . . . . 3.0 1.8 4.8 1 2
10 1 . . . . . 4.0 1.8 6.5 1 2
11 1 . . . . . 4.0 1.8 6.5 1 2
12 1 . . . . . 4.0 1.8 6.5 1 2
13 1 . . . . . 5.0 2.5 7.5 1 2
14 1 . . . . . 4.0 1.8 6.5 1 2
15 1 . . . . . 4.0 1.8 6.5 1 2
16 1 . . . . . 3.0 1.8 4.8 1 2
17 1 . . . . . 5.0 2.5 7.5 1 2
18 1 . . . . . 4.0 1.8 6.5 1 2
19 1 . . . . . 5.0 2.5 7.0 1 2
20 1 . . . . . 3.0 1.8 4.8 1 2
21 1 . . . . . 4.0 1.8 6.5 1 2
22 1 . . . . . 5.0 2.5 6.0 1 2
23 1 . . . . . 4.0 1.8 5.0 1 2
24 1 . . . . . 3.0 1.8 3.3 1 2
25 1 . . . . . 3.0 1.8 4.8 1 2
26 1 . . . . . 3.0 1.8 4.8 1 2
27 1 . . . . . 4.0 1.8 5.0 1 2
28 1 . . . . . 4.0 1.8 5.0 1 2
29 1 . . . . . 4.0 1.8 5.0 1 2
30 1 . . . . . 5.0 2.5 6.0 1 2
31 1 . . . . . 4.0 1.8 6.5 1 2
32 1 . . . . . 4.0 1.8 6.5 1 2
33 1 . . . . . 5.0 2.5 7.5 1 2
34 1 . . . . . 4.0 1.8 6.5 1 2
35 1 . . . . . 5.0 2.5 7.5 1 2
36 1 . . . . . 3.0 1.8 3.3 1 2
37 1 . . . . . 3.0 1.8 3.3 1 2
38 1 . . . . . 4.0 1.8 7.7 1 2
39 1 . . . . . 4.0 1.8 6.5 1 2
40 1 . . . . . 4.0 1.8 6.5 1 2
41 1 . . . . . 4.0 1.8 6.5 1 2
42 1 . . . . . 3.0 1.8 4.8 1 2
43 1 . . . . . 3.0 1.8 4.8 1 2
44 1 . . . . . 3.0 1.8 4.8 1 2
stop_
save_
save_CNS/XPLOR_distance_constraints_6_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 3
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 3
2 1 . . . 1 3
3 1 . . . 1 3
4 1 . . . 1 3
5 1 . . . 1 3
6 1 . . . 1 3
7 1 . . . 1 3
8 1 . . . 1 3
9 1 . . . 1 3
10 1 . . . 1 3
11 1 . . . 1 3
12 1 . . . 1 3
13 1 . . . 1 3
14 1 . . . 1 3
15 1 . . . 1 3
16 1 . . . 1 3
17 1 . . . 1 3
18 1 . . . 1 3
19 1 . . . 1 3
20 1 . . . 1 3
21 1 . . . 1 3
22 1 . . . 1 3
23 1 . . . 1 3
24 1 . . . 1 3
25 1 . . . 1 3
26 1 . . . 1 3
27 1 . . . 1 3
28 1 . . . 1 3
29 1 . . . 1 3
30 1 . . . 1 3
31 1 . . . 1 3
32 1 . . . 1 3
33 1 . . . 1 3
34 1 . . . 1 3
35 1 . . . 1 3
36 1 . . . 1 3
37 1 . . . 1 3
38 1 . . . 1 3
39 1 . . . 1 3
40 1 . . . 1 3
41 1 . . . 1 3
42 1 . . . 1 3
43 1 . . . 1 3
44 1 . . . 1 3
45 1 . . . 1 3
46 1 . . . 1 3
47 1 . . . 1 3
48 1 . . . 1 3
49 1 . . . 1 3
50 1 . . . 1 3
51 1 . . . 1 3
52 1 . . . 1 3
53 1 . . . 1 3
54 1 . . . 1 3
55 1 . . . 1 3
56 1 . . . 1 3
57 1 . . . 1 3
58 1 . . . 1 3
59 1 . . . 1 3
60 1 . . . 1 3
61 1 . . . 1 3
62 1 . . . 1 3
63 1 . . . 1 3
64 1 . . . 1 3
65 1 . . . 1 3
66 1 . . . 1 3
67 1 . . . 1 3
68 1 . . . 1 3
69 1 . . . 1 3
70 1 . . . 1 3
71 1 . . . 1 3
72 1 . . . 1 3
73 1 . . . 1 3
74 1 . . . 1 3
75 1 . . . 1 3
76 1 . . . 1 3
77 1 . . . 1 3
78 1 . . . 1 3
79 1 . . . 1 3
80 1 . . . 1 3
81 1 . . . 1 3
82 1 . . . 1 3
83 1 . . . 1 3
84 1 . . . 1 3
85 1 . . . 1 3
86 1 . . . 1 3
87 1 . . . 1 3
88 1 . . . 1 3
89 1 . . . 1 3
90 1 . . . 1 3
91 1 . . . 1 3
92 1 . . . 1 3
93 1 . . . 1 3
94 1 . . . 1 3
95 1 . . . 1 3
96 1 . . . 1 3
97 1 . . . 1 3
98 1 . . . 1 3
99 1 . . . 1 3
100 1 . . . 1 3
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 12 LEU HA . 12 . HA 1 3
1 1 2 1 1 16 ILE HB . 16 . HB 1 3
2 1 1 1 1 12 LEU HB3 . 12 . HB1 1 3
2 1 2 1 1 16 ILE HB . 16 . HB 1 3
3 1 1 1 1 13 SER HA . 13 . HA 1 3
3 1 2 1 1 15 ALA H . 15 . HN 1 3
4 1 1 1 1 13 SER H . 13 . HN 1 3
4 1 2 1 1 16 ILE HB . 16 . HB 1 3
5 1 1 1 1 13 SER H . 13 . HN 1 3
5 1 2 1 1 16 ILE H . 16 . HN 1 3
6 1 1 1 1 13 SER HA . 13 . HA 1 3
6 1 2 1 1 16 ILE HB . 16 . HB 1 3
7 1 1 1 1 14 PRO HA . 14 . HA 1 3
7 1 2 1 1 17 ARG H . 17 . HN 1 3
8 1 1 1 1 15 ALA HA . 15 . HA 1 3
8 1 2 1 1 17 ARG H . 17 . HN 1 3
9 1 1 1 1 15 ALA HA . 15 . HA 1 3
9 1 2 1 1 18 ARG H . 18 . HN 1 3
10 1 1 1 1 16 ILE HA . 16 . HA 1 3
10 1 2 1 1 19 LEU H . 19 . HN 1 3
11 1 1 1 1 16 ILE HA . 16 . HA 1 3
11 1 2 1 1 19 LEU HB3 . 19 . HB1 1 3
12 1 1 1 1 16 ILE HA . 16 . HA 1 3
12 1 2 1 1 19 LEU HB2 . 19 . HB2 1 3
13 1 1 1 1 16 ILE HA . 16 . HA 1 3
13 1 2 1 1 19 LEU MD1 . 19 . HD1# 1 3
14 1 1 1 1 17 ARG HA . 17 . HA 1 3
14 1 2 1 1 20 LEU H . 20 . HN 1 3
15 1 1 1 1 17 ARG HA . 17 . HA 1 3
15 1 2 1 1 20 LEU QB . 20 . HB# 1 3
16 1 1 1 1 18 ARG HA . 18 . HA 1 3
16 1 2 1 1 21 ALA H . 21 . HN 1 3
17 1 1 1 1 18 ARG HA . 18 . HA 1 3
17 1 2 1 1 21 ALA MB . 21 . HB# 1 3
18 1 1 1 1 18 ARG HA . 18 . HA 1 3
18 1 2 1 1 22 GLU H . 22 . HN 1 3
19 1 1 1 1 19 LEU H . 19 . HN 1 3
19 1 2 1 1 21 ALA H . 21 . HN 1 3
20 1 1 1 1 19 LEU HA . 19 . HA 1 3
20 1 2 1 1 22 GLU H . 22 . HN 1 3
21 1 1 1 1 19 LEU HA . 19 . HA 1 3
21 1 2 1 1 22 GLU HB3 . 22 . HB1 1 3
22 1 1 1 1 19 LEU HA . 19 . HA 1 3
22 1 2 1 1 23 HIS HD2 . 23 . HD2 1 3
23 1 1 1 1 19 LEU HG . 19 . HG 1 3
23 1 2 1 1 23 HIS HD2 . 23 . HD2 1 3
24 1 1 1 1 19 LEU MD1 . 19 . HD1# 1 3
24 1 2 1 1 23 HIS HD2 . 23 . HD2 1 3
25 1 1 1 1 19 LEU MD2 . 19 . HD2# 1 3
25 1 2 1 1 23 HIS HD2 . 23 . HD2 1 3
26 1 1 1 1 19 LEU HA . 19 . HA 1 3
26 1 2 1 1 23 HIS HE1 . 23 . HE1 1 3
27 1 1 1 1 19 LEU HG . 19 . HG 1 3
27 1 2 1 1 23 HIS HE1 . 23 . HE1 1 3
28 1 1 1 1 19 LEU MD1 . 19 . HD1# 1 3
28 1 2 1 1 23 HIS HE1 . 23 . HE1 1 3
29 1 1 1 1 19 LEU MD2 . 19 . HD2# 1 3
29 1 2 1 1 23 HIS HE1 . 23 . HE1 1 3
30 1 1 1 1 20 LEU HA . 20 . HA 1 3
30 1 2 1 1 23 HIS HB3 . 23 . HB1 1 3
31 1 1 1 1 20 LEU HA . 20 . HA 1 3
31 1 2 1 1 23 HIS HB2 . 23 . HB2 1 3
32 1 1 1 1 20 LEU HA . 20 . HA 1 3
32 1 2 1 1 23 HIS HD2 . 23 . HD2 1 3
33 1 1 1 1 20 LEU HA . 20 . HA 1 3
33 1 2 1 1 25 LEU MD1 . 25 . HD1# 1 3
34 1 1 1 1 20 LEU HA . 20 . HA 1 3
34 1 2 1 1 25 LEU HB2 . 25 . HB2 1 3
35 1 1 1 1 20 LEU MD2 . 20 . HD2# 1 3
35 1 2 1 1 25 LEU HB3 . 25 . HB1 1 3
36 1 1 1 1 20 LEU MD2 . 20 . HD2# 1 3
36 1 2 1 1 25 LEU HB2 . 25 . HB2 1 3
37 1 1 1 1 21 ALA HA . 21 . HA 1 3
37 1 2 1 1 24 ASN H . 24 . HN 1 3
38 1 1 1 1 22 GLU HA . 22 . HA 1 3
38 1 2 1 1 24 ASN H . 24 . HN 1 3
39 1 1 1 1 23 HIS HB3 . 23 . HB1 1 3
39 1 2 1 1 25 LEU HG . 25 . HG 1 3
40 1 1 1 1 23 HIS HB2 . 23 . HB2 1 3
40 1 2 1 1 25 LEU HG . 25 . HG 1 3
41 1 1 1 1 23 HIS HB2 . 23 . HB2 1 3
41 1 2 1 1 25 LEU HB2 . 25 . HB2 1 3
42 1 1 1 1 23 HIS HB3 . 23 . HB1 1 3
42 1 2 1 1 25 LEU MD1 . 25 . HD1# 1 3
43 1 1 1 1 23 HIS HB2 . 23 . HB2 1 3
43 1 2 1 1 25 LEU MD1 . 25 . HD1# 1 3
44 1 1 1 1 25 LEU HB3 . 25 . HB1 1 3
44 1 2 1 1 30 ILE HG13 . 30 . HG11 1 3
45 1 1 1 1 25 LEU HB3 . 25 . HB1 1 3
45 1 2 1 1 30 ILE HG12 . 30 . HG12 1 3
46 1 1 1 1 25 LEU HB2 . 25 . HB2 1 3
46 1 2 1 1 30 ILE HG13 . 30 . HG11 1 3
47 1 1 1 1 25 LEU MD1 . 25 . HD1# 1 3
47 1 2 1 1 30 ILE HG13 . 30 . HG11 1 3
48 1 1 1 1 26 ASP HA . 26 . HA 1 3
48 1 2 1 1 28 SER H . 28 . HN 1 3
49 1 1 1 1 26 ASP QB . 26 . HB# 1 3
49 1 2 1 1 28 SER H . 28 . HN 1 3
50 1 1 1 1 26 ASP HB3 . 26 . HB1 1 3
50 1 2 1 1 29 ALA MB . 29 . HB# 1 3
51 1 1 1 1 26 ASP HB2 . 26 . HB2 1 3
51 1 2 1 1 29 ALA MB . 29 . HB# 1 3
52 1 1 1 1 27 ALA HA . 27 . HA 1 3
52 1 2 1 1 29 ALA H . 29 . HN 1 3
53 1 1 1 1 27 ALA HA . 27 . HA 1 3
53 1 2 1 1 30 ILE HB . 30 . HB 1 3
54 1 1 1 1 27 ALA HA . 27 . HA 1 3
54 1 2 1 1 30 ILE HG13 . 30 . HG11 1 3
55 1 1 1 1 27 ALA HA . 27 . HA 1 3
55 1 2 1 1 30 ILE HG12 . 30 . HG12 1 3
56 1 1 1 1 27 ALA HA . 27 . HA 1 3
56 1 2 1 1 30 ILE MD . 30 . HD# 1 3
57 1 1 1 1 27 ALA MB . 27 . HB# 1 3
57 1 2 1 1 30 ILE HG13 . 30 . HG11 1 3
58 1 1 1 1 28 SER H . 28 . HN 1 3
58 1 2 1 1 30 ILE H . 30 . HN 1 3
59 1 1 1 1 28 SER HA . 28 . HA 1 3
59 1 2 1 1 30 ILE H . 30 . HN 1 3
60 1 1 1 1 32 GLY HA2 . 32 . HA2 1 3
60 1 2 1 1 34 GLY H . 34 . HN 1 3
61 1 1 1 1 33 THR HA . 33 . HA 1 3
61 1 2 1 1 37 GLY HA3 . 37 . HA1 1 3
62 1 1 1 1 33 THR HA . 33 . HA 1 3
62 1 2 1 1 37 GLY HA2 . 37 . HA2 1 3
63 1 1 1 1 33 THR H . 33 . HN 1 3
63 1 2 1 1 38 ARG H . 38 . HN 1 3
64 1 1 1 1 34 GLY H . 34 . HN 1 3
64 1 2 1 1 38 ARG H . 38 . HN 1 3
65 1 1 1 1 34 GLY QA . 34 . HA# 1 3
65 1 2 1 1 38 ARG HB3 . 38 . HB1 1 3
66 1 1 1 1 34 GLY QA . 34 . HA# 1 3
66 1 2 1 1 38 ARG HB2 . 38 . HB2 1 3
67 1 1 1 1 35 VAL H . 35 . HN 1 3
67 1 2 1 1 40 THR MG . 40 . HG2# 1 3
68 1 1 1 1 35 VAL MG1 . 35 . HG1# 1 3
68 1 2 1 1 38 ARG QD . 38 . HD# 1 3
69 1 1 1 1 39 LEU HA . 39 . HA 1 3
69 1 2 1 1 43 ASP HB2 . 43 . HB2 1 3
70 1 1 1 1 39 LEU MD1 . 39 . HD1# 1 3
70 1 2 1 1 43 ASP HB3 . 43 . HB1 1 3
71 1 1 1 1 39 LEU MD1 . 39 . HD1# 1 3
71 1 2 1 1 43 ASP HB2 . 43 . HB2 1 3
72 1 1 1 1 39 LEU MD2 . 39 . HD2# 1 3
72 1 2 1 1 43 ASP HB3 . 43 . HB1 1 3
73 1 1 1 1 39 LEU MD2 . 39 . HD2# 1 3
73 1 2 1 1 43 ASP HB2 . 43 . HB2 1 3
74 1 1 1 1 39 LEU MD1 . 39 . HD1# 1 3
74 1 2 1 1 44 VAL HB . 44 . HB 1 3
75 1 1 1 1 40 THR HA . 40 . HA 1 3
75 1 2 1 1 42 GLU H . 42 . HN 1 3
76 1 1 1 1 40 THR HB . 40 . HB 1 3
76 1 2 1 1 42 GLU H . 42 . HN 1 3
77 1 1 1 1 40 THR H . 40 . HN 1 3
77 1 2 1 1 43 ASP H . 43 . HN 1 3
78 1 1 1 1 40 THR H . 40 . HN 1 3
78 1 2 1 1 43 ASP HB3 . 43 . HB1 1 3
79 1 1 1 1 40 THR H . 40 . HN 1 3
79 1 2 1 1 43 ASP HB2 . 43 . HB2 1 3
80 1 1 1 1 41 ARG H . 41 . HN 1 3
80 1 2 1 1 43 ASP H . 43 . HN 1 3
81 1 1 1 1 41 ARG HA . 41 . HA 1 3
81 1 2 1 1 44 VAL H . 44 . HN 1 3
82 1 1 1 1 41 ARG HA . 41 . HA 1 3
82 1 2 1 1 44 VAL HB . 44 . HB 1 3
83 1 1 1 1 41 ARG HA . 41 . HA 1 3
83 1 2 1 1 44 VAL MG2 . 44 . HG2# 1 3
84 1 1 1 1 42 GLU HA . 42 . HA 1 3
84 1 2 1 1 44 VAL H . 44 . HN 1 3
85 1 1 1 1 42 GLU HA . 42 . HA 1 3
85 1 2 1 1 45 GLU H . 45 . HN 1 3
86 1 1 1 1 43 ASP H . 43 . HN 1 3
86 1 2 1 1 45 GLU H . 45 . HN 1 3
87 1 1 1 1 43 ASP HA . 43 . HA 1 3
87 1 2 1 1 46 LYS H . 46 . HN 1 3
88 1 1 1 1 43 ASP HA . 43 . HA 1 3
88 1 2 1 1 46 LYS QB . 46 . HB# 1 3
89 1 1 1 1 44 VAL HA . 44 . HA 1 3
89 1 2 1 1 47 HIS H . 47 . HN 1 3
90 1 1 1 1 44 VAL HA . 44 . HA 1 3
90 1 2 1 1 47 HIS HA . 47 . HA 1 3
91 1 1 1 1 44 VAL HA . 44 . HA 1 3
91 1 2 1 1 47 HIS HB3 . 47 . HB1 1 3
92 1 1 1 1 44 VAL HA . 44 . HA 1 3
92 1 2 1 1 47 HIS HB2 . 47 . HB2 1 3
93 1 1 1 1 44 VAL HA . 44 . HA 1 3
93 1 2 1 1 47 HIS HD2 . 47 . HD2 1 3
94 1 1 1 1 44 VAL MG1 . 44 . HG1# 1 3
94 1 2 1 1 48 LEU MD1 . 48 . HD1# 1 3
95 1 1 1 1 45 GLU HA . 45 . HA 1 3
95 1 2 1 1 48 LEU H . 48 . HN 1 3
96 1 1 1 1 45 GLU HA . 45 . HA 1 3
96 1 2 1 1 48 LEU HB2 . 48 . HB2 1 3
97 1 1 1 1 45 GLU HA . 45 . HA 1 3
97 1 2 1 1 48 LEU HG . 48 . HG 1 3
98 1 1 1 1 45 GLU HA . 45 . HA 1 3
98 1 2 1 1 48 LEU MD1 . 48 . HD1# 1 3
99 1 1 1 1 45 GLU QG . 45 . HG# 1 3
99 1 2 1 1 48 LEU MD1 . 48 . HD1# 1 3
100 1 1 1 1 46 LYS H . 46 . HN 1 3
100 1 2 1 1 48 LEU H . 48 . HN 1 3
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 5.0 2.5 6.0 1 3
2 1 . . . . . 4.0 1.8 5.0 1 3
3 1 . . . . . 4.0 1.8 5.0 1 3
4 1 . . . . . 4.0 1.8 5.0 1 3
5 1 . . . . . 4.0 1.8 5.0 1 3
6 1 . . . . . 4.0 1.8 5.0 1 3
7 1 . . . . . 4.0 1.8 5.0 1 3
8 1 . . . . . 4.0 1.8 5.0 1 3
9 1 . . . . . 4.0 1.8 5.0 1 3
10 1 . . . . . 4.0 1.8 5.0 1 3
11 1 . . . . . 3.0 1.8 3.3 1 3
12 1 . . . . . 3.0 1.8 3.3 1 3
13 1 . . . . . 3.0 1.8 4.8 1 3
14 1 . . . . . 5.0 2.5 6.0 1 3
15 1 . . . . . 4.0 1.8 6.0 1 3
16 1 . . . . . 4.0 1.8 5.0 1 3
17 1 . . . . . 3.0 1.8 4.8 1 3
18 1 . . . . . 4.0 1.8 5.0 1 3
19 1 . . . . . 5.0 2.5 6.0 1 3
20 1 . . . . . 4.0 1.8 5.0 1 3
21 1 . . . . . 3.0 1.8 3.3 1 3
22 1 . . . . . 4.0 1.8 5.0 1 3
23 1 . . . . . 4.0 1.8 5.0 1 3
24 1 . . . . . 3.0 1.8 4.8 1 3
25 1 . . . . . 4.0 1.8 6.5 1 3
26 1 . . . . . 5.0 2.5 6.0 1 3
27 1 . . . . . 5.0 2.5 6.0 1 3
28 1 . . . . . 4.0 1.8 6.5 1 3
29 1 . . . . . 5.0 2.5 7.5 1 3
30 1 . . . . . 5.0 2.5 6.0 1 3
31 1 . . . . . 4.0 1.8 5.0 1 3
32 1 . . . . . 5.0 2.5 6.0 1 3
33 1 . . . . . 4.0 1.8 6.5 1 3
34 1 . . . . . 4.0 1.8 5.0 1 3
35 1 . . . . . 3.0 1.8 4.8 1 3
36 1 . . . . . 3.0 1.8 4.8 1 3
37 1 . . . . . 5.0 2.5 6.0 1 3
38 1 . . . . . 5.0 2.5 6.0 1 3
39 1 . . . . . 4.0 1.8 5.0 1 3
40 1 . . . . . 4.0 1.8 5.0 1 3
41 1 . . . . . 5.0 2.5 6.0 1 3
42 1 . . . . . 4.0 1.8 6.5 1 3
43 1 . . . . . 4.0 1.8 6.5 1 3
44 1 . . . . . 4.0 1.8 5.0 1 3
45 1 . . . . . 4.0 1.8 5.0 1 3
46 1 . . . . . 5.0 2.5 6.0 1 3
47 1 . . . . . 4.0 1.8 6.5 1 3
48 1 . . . . . 5.0 2.5 6.0 1 3
49 1 . . . . . 5.0 2.5 7.0 1 3
50 1 . . . . . 4.0 1.8 6.5 1 3
51 1 . . . . . 4.0 1.8 6.5 1 3
52 1 . . . . . 5.0 2.5 6.0 1 3
53 1 . . . . . 4.0 1.8 5.0 1 3
54 1 . . . . . 3.0 1.8 3.3 1 3
55 1 . . . . . 4.0 1.8 5.0 1 3
56 1 . . . . . 5.0 2.8 7.5 1 3
57 1 . . . . . 5.0 2.5 7.5 1 3
58 1 . . . . . 4.0 1.8 5.0 1 3
59 1 . . . . . 4.0 1.8 5.0 1 3
60 1 . . . . . 5.0 2.5 6.0 1 3
61 1 . . . . . 5.0 2.5 6.0 1 3
62 1 . . . . . 5.0 2.5 6.0 1 3
63 1 . . . . . 3.5 2.5 23.5 1 3
64 1 . . . . . 3.5 2.5 23.5 1 3
65 1 . . . . . 4.0 1.8 6.0 1 3
66 1 . . . . . 4.0 1.8 6.0 1 3
67 1 . . . . . 4.0 1.8 6.5 1 3
68 1 . . . . . 5.0 2.5 8.5 1 3
69 1 . . . . . 5.0 2.5 6.0 1 3
70 1 . . . . . 4.0 1.8 6.5 1 3
71 1 . . . . . 4.0 1.8 6.5 1 3
72 1 . . . . . 4.0 1.8 6.5 1 3
73 1 . . . . . 4.0 1.8 6.5 1 3
74 1 . . . . . 4.0 1.8 6.5 1 3
75 1 . . . . . 5.0 2.5 6.0 1 3
76 1 . . . . . 4.0 1.8 5.0 1 3
77 1 . . . . . 5.0 2.5 6.0 1 3
78 1 . . . . . 4.0 1.8 5.0 1 3
79 1 . . . . . 4.0 1.8 5.0 1 3
80 1 . . . . . 5.0 2.5 6.0 1 3
81 1 . . . . . 5.0 2.5 6.0 1 3
82 1 . . . . . 4.0 1.8 5.0 1 3
83 1 . . . . . 3.0 1.8 4.8 1 3
84 1 . . . . . 4.0 1.8 5.0 1 3
85 1 . . . . . 4.0 1.8 5.0 1 3
86 1 . . . . . 5.0 2.5 6.0 1 3
87 1 . . . . . 4.0 1.8 5.0 1 3
88 1 . . . . . 4.0 1.8 6.0 1 3
89 1 . . . . . 4.0 1.8 5.0 1 3
90 1 . . . . . 5.0 2.5 6.0 1 3
91 1 . . . . . 4.0 1.8 5.0 1 3
92 1 . . . . . 4.0 1.8 5.0 1 3
93 1 . . . . . 5.0 2.5 6.0 1 3
94 1 . . . . . 3.0 1.8 6.3 1 3
95 1 . . . . . 4.0 1.8 5.0 1 3
96 1 . . . . . 4.0 1.8 5.0 1 3
97 1 . . . . . 5.0 2.5 6.0 1 3
98 1 . . . . . 3.0 1.8 4.8 1 3
99 1 . . . . . 4.0 1.8 7.5 1 3
100 1 . . . . . 5.0 2.5 6.0 1 3
stop_
save_
save_CNS/XPLOR_distance_constraints_8_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 4
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 4
2 1 . . . 1 4
3 1 . . . 1 4
4 1 . . . 1 4
5 1 . . . 1 4
6 1 . . . 1 4
7 1 . . . 1 4
8 1 . . . 1 4
9 1 . . . 1 4
10 1 . . . 1 4
11 1 . . . 1 4
12 1 . . . 1 4
13 1 . . . 1 4
14 1 . . . 1 4
15 1 . . . 1 4
16 1 . . . 1 4
17 1 . . . 1 4
18 1 . . . 1 4
19 1 . . . 1 4
20 1 . . . 1 4
21 1 . . . 1 4
22 1 . . . 1 4
23 1 . . . 1 4
24 1 . . . 1 4
25 1 . . . 1 4
26 1 . . . 1 4
27 1 . . . 1 4
28 1 . . . 1 4
29 1 . . . 1 4
30 1 . . . 1 4
31 1 . . . 1 4
32 1 . . . 1 4
33 1 . . . 1 4
34 1 . . . 1 4
35 1 . . . 1 4
36 1 . . . 1 4
37 1 . . . 1 4
38 1 . . . 1 4
39 1 . . . 1 4
40 1 . . . 1 4
41 1 . . . 1 4
42 1 . . . 1 4
43 1 . . . 1 4
44 1 . . . 1 4
45 1 . . . 1 4
46 1 . . . 1 4
47 1 . . . 1 4
48 1 . . . 1 4
49 1 . . . 1 4
50 1 . . . 1 4
51 1 . . . 1 4
52 1 . . . 1 4
53 1 . . . 1 4
54 1 . . . 1 4
55 1 . . . 1 4
56 1 . . . 1 4
57 1 . . . 1 4
58 1 . . . 1 4
59 1 . . . 1 4
60 1 . . . 1 4
61 1 . . . 1 4
62 1 . . . 1 4
63 1 . . . 1 4
64 1 . . . 1 4
65 1 . . . 1 4
66 1 . . . 1 4
67 1 . . . 1 4
68 1 . . . 1 4
69 1 . . . 1 4
70 1 . . . 1 4
71 1 . . . 1 4
72 1 . . . 1 4
73 1 . . . 1 4
74 1 . . . 1 4
75 1 . . . 1 4
76 1 . . . 1 4
77 1 . . . 1 4
78 1 . . . 1 4
79 1 . . . 1 4
80 1 . . . 1 4
81 1 . . . 1 4
82 1 . . . 1 4
83 1 . . . 1 4
84 1 . . . 1 4
85 1 . . . 1 4
86 1 . . . 1 4
87 1 . . . 1 4
88 1 . . . 1 4
89 1 . . . 1 4
90 1 . . . 1 4
91 1 . . . 1 4
92 1 . . . 1 4
93 1 . . . 1 4
94 1 . . . 1 4
95 1 . . . 1 4
96 1 . . . 1 4
97 1 . . . 1 4
98 1 . . . 1 4
99 1 . . . 1 4
100 1 . . . 1 4
101 1 . . . 1 4
102 1 . . . 1 4
103 1 . . . 1 4
104 1 . . . 1 4
105 1 . . . 1 4
106 1 . . . 1 4
107 1 . . . 1 4
108 1 . . . 1 4
109 1 . . . 1 4
110 1 . . . 1 4
111 1 . . . 1 4
112 1 . . . 1 4
113 1 . . . 1 4
114 1 . . . 1 4
115 1 . . . 1 4
116 1 . . . 1 4
117 1 . . . 1 4
118 1 . . . 1 4
119 1 . . . 1 4
120 1 . . . 1 4
121 1 . . . 1 4
122 1 . . . 1 4
123 1 . . . 1 4
124 1 . . . 1 4
125 1 . . . 1 4
126 1 . . . 1 4
127 1 . . . 1 4
128 1 . . . 1 4
129 1 . . . 1 4
130 1 . . . 1 4
131 1 . . . 1 4
132 1 . . . 1 4
133 1 . . . 1 4
134 1 . . . 1 4
135 1 . . . 1 4
136 1 . . . 1 4
137 1 . . . 1 4
138 1 . . . 1 4
139 1 . . . 1 4
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 12 LEU HA . 12 . HA 1 4
1 1 2 1 1 13 SER H . 13 . HN 1 4
2 1 1 1 1 12 LEU QB . 12 . HB# 1 4
2 1 2 1 1 13 SER H . 13 . HN 1 4
3 1 1 1 1 12 LEU QD . 12 . HD* 1 4
3 1 2 1 1 13 SER H . 13 . HN 1 4
4 1 1 1 1 13 SER H . 13 . HN 1 4
4 1 2 1 1 14 PRO HD3 . 14 . HD1 1 4
5 1 1 1 1 13 SER H . 13 . HN 1 4
5 1 2 1 1 14 PRO HD2 . 14 . HD2 1 4
6 1 1 1 1 13 SER HA . 13 . HA 1 4
6 1 2 1 1 14 PRO HB3 . 14 . HB1 1 4
7 1 1 1 1 13 SER HA . 13 . HA 1 4
7 1 2 1 1 14 PRO QG . 14 . HG# 1 4
8 1 1 1 1 13 SER HA . 13 . HA 1 4
8 1 2 1 1 14 PRO QD . 14 . HD# 1 4
9 1 1 1 1 13 SER QB . 13 . HB# 1 4
9 1 2 1 1 14 PRO QD . 14 . HD# 1 4
10 1 1 1 1 14 PRO HA . 14 . HA 1 4
10 1 2 1 1 15 ALA H . 15 . HN 1 4
11 1 1 1 1 14 PRO HB3 . 14 . HB1 1 4
11 1 2 1 1 15 ALA H . 15 . HN 1 4
12 1 1 1 1 14 PRO HB2 . 14 . HB2 1 4
12 1 2 1 1 15 ALA H . 15 . HN 1 4
13 1 1 1 1 14 PRO QG . 14 . HG# 1 4
13 1 2 1 1 15 ALA H . 15 . HN 1 4
14 1 1 1 1 14 PRO QD . 14 . HD# 1 4
14 1 2 1 1 15 ALA H . 15 . HN 1 4
15 1 1 1 1 15 ALA H . 15 . HN 1 4
15 1 2 1 1 16 ILE H . 16 . HN 1 4
16 1 1 1 1 15 ALA HA . 15 . HA 1 4
16 1 2 1 1 16 ILE H . 16 . HN 1 4
17 1 1 1 1 15 ALA MB . 15 . HB# 1 4
17 1 2 1 1 16 ILE H . 16 . HN 1 4
18 1 1 1 1 16 ILE H . 16 . HN 1 4
18 1 2 1 1 17 ARG H . 17 . HN 1 4
19 1 1 1 1 16 ILE HA . 16 . HA 1 4
19 1 2 1 1 17 ARG H . 17 . HN 1 4
20 1 1 1 1 16 ILE HB . 16 . HB 1 4
20 1 2 1 1 17 ARG H . 17 . HN 1 4
21 1 1 1 1 16 ILE MG . 16 . HG2# 1 4
21 1 2 1 1 17 ARG H . 17 . HN 1 4
22 1 1 1 1 16 ILE MG . 16 . HG2# 1 4
22 1 2 1 1 17 ARG HA . 17 . HA 1 4
23 1 1 1 1 16 ILE MG . 16 . HG2# 1 4
23 1 2 1 1 17 ARG HE . 17 . HE 1 4
24 1 1 1 1 17 ARG H . 17 . HN 1 4
24 1 2 1 1 18 ARG H . 18 . HN 1 4
25 1 1 1 1 17 ARG HA . 17 . HA 1 4
25 1 2 1 1 18 ARG H . 18 . HN 1 4
26 1 1 1 1 18 ARG H . 18 . HN 1 4
26 1 2 1 1 19 LEU H . 19 . HN 1 4
27 1 1 1 1 18 ARG HA . 18 . HA 1 4
27 1 2 1 1 19 LEU H . 19 . HN 1 4
28 1 1 1 1 18 ARG HB2 . 18 . HB2 1 4
28 1 2 1 1 19 LEU H . 19 . HN 1 4
29 1 1 1 1 19 LEU H . 19 . HN 1 4
29 1 2 1 1 20 LEU H . 20 . HN 1 4
30 1 1 1 1 19 LEU HA . 19 . HA 1 4
30 1 2 1 1 20 LEU H . 20 . HN 1 4
31 1 1 1 1 19 LEU MD1 . 19 . HD1# 1 4
31 1 2 1 1 20 LEU H . 20 . HN 1 4
32 1 1 1 1 20 LEU H . 20 . HN 1 4
32 1 2 1 1 21 ALA H . 21 . HN 1 4
33 1 1 1 1 20 LEU QB . 20 . HB# 1 4
33 1 2 1 1 21 ALA H . 21 . HN 1 4
34 1 1 1 1 20 LEU HA . 20 . HA 1 4
34 1 2 1 1 21 ALA H . 21 . HN 1 4
35 1 1 1 1 21 ALA H . 21 . HN 1 4
35 1 2 1 1 22 GLU H . 22 . HN 1 4
36 1 1 1 1 21 ALA MB . 21 . HB# 1 4
36 1 2 1 1 22 GLU H . 22 . HN 1 4
37 1 1 1 1 21 ALA MB . 21 . HB# 1 4
37 1 2 1 1 22 GLU HA . 22 . HA 1 4
38 1 1 1 1 22 GLU H . 22 . HN 1 4
38 1 2 1 1 23 HIS H . 23 . HN 1 4
39 1 1 1 1 22 GLU H . 22 . HN 1 4
39 1 2 1 1 23 HIS HD2 . 23 . HD2 1 4
40 1 1 1 1 22 GLU HA . 22 . HA 1 4
40 1 2 1 1 23 HIS H . 23 . HN 1 4
41 1 1 1 1 22 GLU HB3 . 22 . HB1 1 4
41 1 2 1 1 23 HIS H . 23 . HN 1 4
42 1 1 1 1 22 GLU HB3 . 22 . HB1 1 4
42 1 2 1 1 23 HIS HD2 . 23 . HD2 1 4
43 1 1 1 1 22 GLU HB2 . 22 . HB2 1 4
43 1 2 1 1 23 HIS HD2 . 23 . HD2 1 4
44 1 1 1 1 22 GLU QG . 22 . HG# 1 4
44 1 2 1 1 23 HIS HD2 . 23 . HD2 1 4
45 1 1 1 1 22 GLU HB3 . 22 . HB1 1 4
45 1 2 1 1 23 HIS HE1 . 23 . HE1 1 4
46 1 1 1 1 22 GLU HB2 . 22 . HB2 1 4
46 1 2 1 1 23 HIS HE1 . 23 . HE1 1 4
47 1 1 1 1 23 HIS H . 23 . HN 1 4
47 1 2 1 1 24 ASN H . 24 . HN 1 4
48 1 1 1 1 23 HIS H . 23 . HN 1 4
48 1 2 1 1 24 ASN QD . 24 . HD2# 1 4
49 1 1 1 1 23 HIS HA . 23 . HA 1 4
49 1 2 1 1 24 ASN H . 24 . HN 1 4
50 1 1 1 1 23 HIS HD2 . 23 . HD2 1 4
50 1 2 1 1 24 ASN H . 24 . HN 1 4
51 1 1 1 1 24 ASN H . 24 . HN 1 4
51 1 2 1 1 25 LEU H . 25 . HN 1 4
52 1 1 1 1 24 ASN HA . 24 . HA 1 4
52 1 2 1 1 25 LEU H . 25 . HN 1 4
53 1 1 1 1 25 LEU HA . 25 . HA 1 4
53 1 2 1 1 26 ASP H . 26 . HN 1 4
54 1 1 1 1 25 LEU HB3 . 25 . HB1 1 4
54 1 2 1 1 26 ASP H . 26 . HN 1 4
55 1 1 1 1 25 LEU HB2 . 25 . HB2 1 4
55 1 2 1 1 26 ASP H . 26 . HN 1 4
56 1 1 1 1 25 LEU MD2 . 25 . HD2# 1 4
56 1 2 1 1 26 ASP H . 26 . HN 1 4
57 1 1 1 1 26 ASP H . 26 . HN 1 4
57 1 2 1 1 27 ALA H . 27 . HN 1 4
58 1 1 1 1 26 ASP HA . 26 . HA 1 4
58 1 2 1 1 27 ALA H . 27 . HN 1 4
59 1 1 1 1 26 ASP HB3 . 26 . HB1 1 4
59 1 2 1 1 27 ALA H . 27 . HN 1 4
60 1 1 1 1 26 ASP HB2 . 26 . HB2 1 4
60 1 2 1 1 27 ALA H . 27 . HN 1 4
61 1 1 1 1 27 ALA H . 27 . HN 1 4
61 1 2 1 1 28 SER H . 28 . HN 1 4
62 1 1 1 1 27 ALA HA . 27 . HA 1 4
62 1 2 1 1 28 SER H . 28 . HN 1 4
63 1 1 1 1 27 ALA MB . 27 . HB# 1 4
63 1 2 1 1 28 SER H . 28 . HN 1 4
64 1 1 1 1 28 SER H . 28 . HN 1 4
64 1 2 1 1 29 ALA H . 29 . HN 1 4
65 1 1 1 1 28 SER HA . 28 . HA 1 4
65 1 2 1 1 29 ALA H . 29 . HN 1 4
66 1 1 1 1 28 SER QB . 28 . HB# 1 4
66 1 2 1 1 29 ALA H . 29 . HN 1 4
67 1 1 1 1 29 ALA H . 29 . HN 1 4
67 1 2 1 1 30 ILE H . 30 . HN 1 4
68 1 1 1 1 29 ALA HA . 29 . HA 1 4
68 1 2 1 1 30 ILE H . 30 . HN 1 4
69 1 1 1 1 29 ALA MB . 29 . HB# 1 4
69 1 2 1 1 30 ILE H . 30 . HN 1 4
70 1 1 1 1 29 ALA MB . 29 . HB# 1 4
70 1 2 1 1 30 ILE HG13 . 30 . HG11 1 4
71 1 1 1 1 29 ALA MB . 29 . HB# 1 4
71 1 2 1 1 30 ILE HG12 . 30 . HG12 1 4
72 1 1 1 1 29 ALA MB . 29 . HB# 1 4
72 1 2 1 1 30 ILE MD . 30 . HD# 1 4
73 1 1 1 1 30 ILE H . 30 . HN 1 4
73 1 2 1 1 31 LYS H . 31 . HN 1 4
74 1 1 1 1 30 ILE HA . 30 . HA 1 4
74 1 2 1 1 31 LYS H . 31 . HN 1 4
75 1 1 1 1 30 ILE MG . 30 . HG2# 1 4
75 1 2 1 1 31 LYS H . 31 . HN 1 4
76 1 1 1 1 31 LYS HA . 31 . HA 1 4
76 1 2 1 1 32 GLY H . 32 . HN 1 4
77 1 1 1 1 32 GLY H . 32 . HN 1 4
77 1 2 1 1 33 THR H . 33 . HN 1 4
78 1 1 1 1 32 GLY HA3 . 32 . HA1 1 4
78 1 2 1 1 33 THR H . 33 . HN 1 4
79 1 1 1 1 32 GLY HA2 . 32 . HA2 1 4
79 1 2 1 1 33 THR H . 33 . HN 1 4
80 1 1 1 1 33 THR H . 33 . HN 1 4
80 1 2 1 1 34 GLY H . 34 . HN 1 4
81 1 1 1 1 33 THR HA . 33 . HA 1 4
81 1 2 1 1 34 GLY H . 34 . HN 1 4
82 1 1 1 1 33 THR HB . 33 . HB 1 4
82 1 2 1 1 34 GLY H . 34 . HN 1 4
83 1 1 1 1 33 THR MG . 33 . HG2# 1 4
83 1 2 1 1 34 GLY H . 34 . HN 1 4
84 1 1 1 1 34 GLY H . 34 . HN 1 4
84 1 2 1 1 35 VAL H . 35 . HN 1 4
85 1 1 1 1 34 GLY HA3 . 34 . HA1 1 4
85 1 2 1 1 35 VAL H . 35 . HN 1 4
86 1 1 1 1 34 GLY HA2 . 34 . HA2 1 4
86 1 2 1 1 35 VAL H . 35 . HN 1 4
87 1 1 1 1 35 VAL H . 35 . HN 1 4
87 1 2 1 1 36 GLY H . 36 . HN 1 4
88 1 1 1 1 35 VAL MG1 . 35 . HG1# 1 4
88 1 2 1 1 36 GLY H . 36 . HN 1 4
89 1 1 1 1 35 VAL MG2 . 35 . HG2# 1 4
89 1 2 1 1 36 GLY H . 36 . HN 1 4
90 1 1 1 1 36 GLY H . 36 . HN 1 4
90 1 2 1 1 37 GLY H . 37 . HN 1 4
91 1 1 1 1 36 GLY HA3 . 36 . HA1 1 4
91 1 2 1 1 37 GLY H . 37 . HN 1 4
92 1 1 1 1 36 GLY HA2 . 36 . HA2 1 4
92 1 2 1 1 37 GLY H . 37 . HN 1 4
93 1 1 1 1 37 GLY H . 37 . HN 1 4
93 1 2 1 1 38 ARG H . 38 . HN 1 4
94 1 1 1 1 38 ARG H . 38 . HN 1 4
94 1 2 1 1 39 LEU H . 39 . HN 1 4
95 1 1 1 1 38 ARG HA . 38 . HA 1 4
95 1 2 1 1 39 LEU H . 39 . HN 1 4
96 1 1 1 1 38 ARG HA . 38 . HA 1 4
96 1 2 1 1 39 LEU HA . 39 . HA 1 4
97 1 1 1 1 39 LEU H . 39 . HN 1 4
97 1 2 1 1 40 THR H . 40 . HN 1 4
98 1 1 1 1 39 LEU HA . 39 . HA 1 4
98 1 2 1 1 40 THR H . 40 . HN 1 4
99 1 1 1 1 39 LEU HA . 39 . HA 1 4
99 1 2 1 1 40 THR MG . 40 . HG2# 1 4
100 1 1 1 1 39 LEU QB . 39 . HB# 1 4
100 1 2 1 1 40 THR H . 40 . HN 1 4
101 1 1 1 1 39 LEU MD1 . 39 . HD1# 1 4
101 1 2 1 1 40 THR H . 40 . HN 1 4
102 1 1 1 1 39 LEU MD2 . 39 . HD2# 1 4
102 1 2 1 1 40 THR H . 40 . HN 1 4
103 1 1 1 1 40 THR HA . 40 . HA 1 4
103 1 2 1 1 41 ARG H . 41 . HN 1 4
104 1 1 1 1 40 THR HA . 40 . HA 1 4
104 1 2 1 1 41 ARG HA . 41 . HA 1 4
105 1 1 1 1 40 THR HB . 40 . HB 1 4
105 1 2 1 1 41 ARG H . 41 . HN 1 4
106 1 1 1 1 40 THR HB . 40 . HB 1 4
106 1 2 1 1 41 ARG HA . 41 . HA 1 4
107 1 1 1 1 40 THR MG . 40 . HG2# 1 4
107 1 2 1 1 41 ARG H . 41 . HN 1 4
108 1 1 1 1 41 ARG H . 41 . HN 1 4
108 1 2 1 1 42 GLU H . 42 . HN 1 4
109 1 1 1 1 41 ARG HA . 41 . HA 1 4
109 1 2 1 1 42 GLU H . 42 . HN 1 4
110 1 1 1 1 41 ARG HB3 . 41 . HB1 1 4
110 1 2 1 1 42 GLU H . 42 . HN 1 4
111 1 1 1 1 41 ARG QG . 41 . HG# 1 4
111 1 2 1 1 42 GLU H . 42 . HN 1 4
112 1 1 1 1 42 GLU H . 42 . HN 1 4
112 1 2 1 1 43 ASP H . 43 . HN 1 4
113 1 1 1 1 42 GLU HA . 42 . HA 1 4
113 1 2 1 1 43 ASP H . 43 . HN 1 4
114 1 1 1 1 42 GLU HB3 . 42 . HB1 1 4
114 1 2 1 1 43 ASP H . 43 . HN 1 4
115 1 1 1 1 42 GLU HB2 . 42 . HB2 1 4
115 1 2 1 1 43 ASP H . 43 . HN 1 4
116 1 1 1 1 43 ASP H . 43 . HN 1 4
116 1 2 1 1 44 VAL H . 44 . HN 1 4
117 1 1 1 1 43 ASP HA . 43 . HA 1 4
117 1 2 1 1 44 VAL H . 44 . HN 1 4
118 1 1 1 1 43 ASP HB2 . 43 . HB2 1 4
118 1 2 1 1 44 VAL H . 44 . HN 1 4
119 1 1 1 1 43 ASP HB3 . 43 . HB1 1 4
119 1 2 1 1 44 VAL H . 44 . HN 1 4
120 1 1 1 1 43 ASP HB3 . 43 . HB1 1 4
120 1 2 1 1 44 VAL HA . 44 . HA 1 4
121 1 1 1 1 43 ASP HB3 . 43 . HB1 1 4
121 1 2 1 1 44 VAL MG2 . 44 . HG2# 1 4
122 1 1 1 1 43 ASP HB2 . 43 . HB2 1 4
122 1 2 1 1 44 VAL MG2 . 44 . HG2# 1 4
123 1 1 1 1 44 VAL H . 44 . HN 1 4
123 1 2 1 1 45 GLU H . 45 . HN 1 4
124 1 1 1 1 44 VAL HA . 44 . HA 1 4
124 1 2 1 1 45 GLU H . 45 . HN 1 4
125 1 1 1 1 44 VAL HB . 44 . HB 1 4
125 1 2 1 1 45 GLU H . 45 . HN 1 4
126 1 1 1 1 44 VAL MG1 . 44 . HG1# 1 4
126 1 2 1 1 45 GLU H . 45 . HN 1 4
127 1 1 1 1 44 VAL MG2 . 44 . HG2# 1 4
127 1 2 1 1 45 GLU H . 45 . HN 1 4
128 1 1 1 1 45 GLU H . 45 . HN 1 4
128 1 2 1 1 46 LYS H . 46 . HN 1 4
129 1 1 1 1 45 GLU HA . 45 . HA 1 4
129 1 2 1 1 46 LYS H . 46 . HN 1 4
130 1 1 1 1 45 GLU HB3 . 45 . HB1 1 4
130 1 2 1 1 46 LYS H . 46 . HN 1 4
131 1 1 1 1 45 GLU HB2 . 45 . HB2 1 4
131 1 2 1 1 46 LYS H . 46 . HN 1 4
132 1 1 1 1 46 LYS H . 46 . HN 1 4
132 1 2 1 1 47 HIS H . 47 . HN 1 4
133 1 1 1 1 46 LYS HA . 46 . HA 1 4
133 1 2 1 1 47 HIS H . 47 . HN 1 4
134 1 1 1 1 46 LYS QB . 46 . HB# 1 4
134 1 2 1 1 47 HIS H . 47 . HN 1 4
135 1 1 1 1 47 HIS H . 47 . HN 1 4
135 1 2 1 1 48 LEU H . 48 . HN 1 4
136 1 1 1 1 47 HIS HA . 47 . HA 1 4
136 1 2 1 1 48 LEU H . 48 . HN 1 4
137 1 1 1 1 47 HIS HB3 . 47 . HB1 1 4
137 1 2 1 1 48 LEU H . 48 . HN 1 4
138 1 1 1 1 47 HIS HB2 . 47 . HB2 1 4
138 1 2 1 1 48 LEU H . 48 . HN 1 4
139 1 1 1 1 47 HIS HD2 . 47 . HD2 1 4
139 1 2 1 1 48 LEU HA . 48 . HA 1 4
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.5 1.8 2.8 1 4
2 1 . . . . . 4.0 1.8 6.0 1 4
3 1 . . . . . 3.0 1.8 5.7 1 4
4 1 . . . . . 3.5 2.5 23.5 1 4
5 1 . . . . . 3.5 2.5 23.5 1 4
6 1 . . . . . 5.0 2.5 6.0 1 4
7 1 . . . . . 4.0 1.8 6.0 1 4
8 1 . . . . . 3.0 1.8 4.3 1 4
9 1 . . . . . 3.0 1.8 5.3 1 4
10 1 . . . . . 4.0 1.8 5.0 1 4
11 1 . . . . . 4.0 1.8 5.0 1 4
12 1 . . . . . 4.0 1.8 5.0 1 4
13 1 . . . . . 5.0 2.5 7.0 1 4
14 1 . . . . . 4.0 1.8 6.0 1 4
15 1 . . . . . 2.5 1.8 2.8 1 4
16 1 . . . . . 4.0 1.8 5.0 1 4
17 1 . . . . . 4.0 1.8 6.5 1 4
18 1 . . . . . 2.5 1.8 2.8 1 4
19 1 . . . . . 4.0 1.8 5.0 1 4
20 1 . . . . . 4.0 1.8 5.0 1 4
21 1 . . . . . 4.0 1.8 6.5 1 4
22 1 . . . . . 4.0 1.8 6.5 1 4
23 1 . . . . . 5.0 2.5 7.5 1 4
24 1 . . . . . 2.5 1.8 2.8 1 4
25 1 . . . . . 4.0 1.8 5.0 1 4
26 1 . . . . . 2.5 1.8 2.8 1 4
27 1 . . . . . 4.0 1.8 5.0 1 4
28 1 . . . . . 4.0 1.8 5.0 1 4
29 1 . . . . . 2.5 1.8 2.8 1 4
30 1 . . . . . 4.0 1.8 5.0 1 4
31 1 . . . . . 5.0 2.5 7.5 1 4
32 1 . . . . . 3.0 1.8 3.3 1 4
33 1 . . . . . 3.0 1.8 4.8 1 4
34 1 . . . . . 4.0 1.8 5.0 1 4
35 1 . . . . . 2.5 1.8 2.8 1 4
36 1 . . . . . 3.0 1.8 4.8 1 4
37 1 . . . . . 4.0 1.8 6.5 1 4
38 1 . . . . . 3.0 1.8 3.3 1 4
39 1 . . . . . 5.0 2.5 6.0 1 4
40 1 . . . . . 4.0 1.8 5.0 1 4
41 1 . . . . . 5.0 2.5 6.0 1 4
42 1 . . . . . 4.0 1.8 5.0 1 4
43 1 . . . . . 5.0 2.5 6.0 1 4
44 1 . . . . . 5.0 2.5 7.0 1 4
45 1 . . . . . 5.0 2.5 6.0 1 4
46 1 . . . . . 5.0 2.5 6.0 1 4
47 1 . . . . . 3.0 1.8 3.3 1 4
48 1 . . . . . 5.0 2.5 7.0 1 4
49 1 . . . . . 4.0 1.8 5.0 1 4
50 1 . . . . . 5.0 2.5 6.0 1 4
51 1 . . . . . 4.0 1.8 5.0 1 4
52 1 . . . . . 2.5 1.8 2.8 1 4
53 1 . . . . . 2.5 1.8 2.8 1 4
54 1 . . . . . 4.0 1.8 5.0 1 4
55 1 . . . . . 4.0 1.8 5.0 1 4
56 1 . . . . . 4.0 1.8 6.5 1 4
57 1 . . . . . 5.0 2.5 6.0 1 4
58 1 . . . . . 2.5 1.8 2.8 1 4
59 1 . . . . . 5.0 2.5 6.0 1 4
60 1 . . . . . 5.0 2.5 6.0 1 4
61 1 . . . . . 3.0 1.8 3.3 1 4
62 1 . . . . . 4.0 1.8 5.0 1 4
63 1 . . . . . 3.0 1.8 4.8 1 4
64 1 . . . . . 2.5 1.8 2.8 1 4
65 1 . . . . . 4.0 1.8 5.0 1 4
66 1 . . . . . 5.0 2.5 7.0 1 4
67 1 . . . . . 3.0 1.8 3.3 1 4
68 1 . . . . . 4.0 1.8 5.0 1 4
69 1 . . . . . 4.0 1.8 6.5 1 4
70 1 . . . . . 4.0 1.8 6.5 1 4
71 1 . . . . . 4.0 1.8 6.5 1 4
72 1 . . . . . 5.0 2.5 9.0 1 4
73 1 . . . . . 4.0 1.8 5.0 1 4
74 1 . . . . . 2.5 1.8 2.8 1 4
75 1 . . . . . 3.0 1.8 4.8 1 4
76 1 . . . . . 2.5 1.8 2.8 1 4
77 1 . . . . . 3.5 2.5 23.5 1 4
78 1 . . . . . 4.0 1.8 5.0 1 4
79 1 . . . . . 4.0 1.8 5.0 1 4
80 1 . . . . . 4.0 1.8 5.0 1 4
81 1 . . . . . 4.0 1.8 5.0 1 4
82 1 . . . . . 5.0 2.5 6.0 1 4
83 1 . . . . . 4.0 1.8 6.5 1 4
84 1 . . . . . 5.0 2.5 6.0 1 4
85 1 . . . . . 2.5 1.8 2.8 1 4
86 1 . . . . . 2.5 1.8 2.8 1 4
87 1 . . . . . 5.0 2.5 6.0 1 4
88 1 . . . . . 3.0 1.8 4.8 1 4
89 1 . . . . . 4.0 1.8 6.5 1 4
90 1 . . . . . 3.0 1.8 3.3 1 4
91 1 . . . . . 4.0 1.8 5.0 1 4
92 1 . . . . . 4.0 1.8 5.0 1 4
93 1 . . . . . 3.0 1.8 3.3 1 4
94 1 . . . . . 5.0 2.5 6.0 1 4
95 1 . . . . . 2.5 1.8 2.8 1 4
96 1 . . . . . 5.0 2.5 6.0 1 4
97 1 . . . . . 5.0 2.5 6.0 1 4
98 1 . . . . . 2.5 1.8 2.8 1 4
99 1 . . . . . 4.0 1.8 6.5 1 4
100 1 . . . . . 5.0 2.5 7.0 1 4
101 1 . . . . . 5.0 2.5 7.5 1 4
102 1 . . . . . 5.0 2.5 7.5 1 4
103 1 . . . . . 3.0 1.8 3.3 1 4
104 1 . . . . . 5.0 2.5 6.0 1 4
105 1 . . . . . 3.0 1.8 3.3 1 4
106 1 . . . . . 5.0 2.5 6.0 1 4
107 1 . . . . . 4.0 1.8 6.5 1 4
108 1 . . . . . 3.0 1.8 3.3 1 4
109 1 . . . . . 4.0 1.8 5.0 1 4
110 1 . . . . . 4.0 1.8 5.0 1 4
111 1 . . . . . 5.0 2.5 7.0 1 4
112 1 . . . . . 3.0 1.8 3.3 1 4
113 1 . . . . . 4.0 1.8 5.0 1 4
114 1 . . . . . 4.0 1.8 5.0 1 4
115 1 . . . . . 4.0 1.8 5.0 1 4
116 1 . . . . . 3.0 1.8 3.3 1 4
117 1 . . . . . 4.0 1.8 5.0 1 4
118 1 . . . . . 3.0 1.8 3.3 1 4
119 1 . . . . . 4.0 1.8 5.0 1 4
120 1 . . . . . 5.0 2.5 6.0 1 4
121 1 . . . . . 4.0 1.8 6.5 1 4
122 1 . . . . . 4.0 1.8 6.5 1 4
123 1 . . . . . 2.5 1.8 2.8 1 4
124 1 . . . . . 4.0 1.8 5.0 1 4
125 1 . . . . . 3.0 1.8 3.3 1 4
126 1 . . . . . 4.0 1.8 6.5 1 4
127 1 . . . . . 4.0 1.8 6.5 1 4
128 1 . . . . . 3.0 1.8 3.3 1 4
129 1 . . . . . 4.0 1.8 5.0 1 4
130 1 . . . . . 4.0 1.8 5.0 1 4
131 1 . . . . . 4.0 1.8 5.0 1 4
132 1 . . . . . 3.0 1.8 3.3 1 4
133 1 . . . . . 4.0 1.8 5.0 1 4
134 1 . . . . . 4.0 1.8 6.0 1 4
135 1 . . . . . 3.0 1.8 3.3 1 4
136 1 . . . . . 4.0 1.8 5.0 1 4
137 1 . . . . . 4.0 1.8 5.0 1 4
138 1 . . . . . 4.0 1.8 5.0 1 4
139 1 . . . . . 5.0 2.5 6.0 1 4
stop_
save_
save_CNS/XPLOR_dihedral_10
_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 12 LEU C 1 1 13 SER N 1 1 13 SER CA 1 1 13 SER C -155.0 -65.0 . 12 . C . 13 . N . 13 . CA . 13 . C 1 1
2 . 1 1 13 SER C 1 1 14 PRO N 1 1 14 PRO CA 1 1 14 PRO C -80.0 -40.0 . 13 . C . 14 . N . 14 . CA . 14 . C 1 1
3 . 1 1 14 PRO C 1 1 15 ALA N 1 1 15 ALA CA 1 1 15 ALA C -115.00001 -44.999996 . 14 . C . 15 . N . 15 . CA . 15 . C 1 1
4 . 1 1 15 ALA C 1 1 16 ILE N 1 1 16 ILE CA 1 1 16 ILE C -95.0 -35.0 . 15 . C . 16 . N . 16 . CA . 16 . C 1 1
5 . 1 1 16 ILE C 1 1 17 ARG N 1 1 17 ARG CA 1 1 17 ARG C -110.0 -50.0 . 16 . C . 17 . N . 17 . CA . 17 . C 1 1
6 . 1 1 17 ARG C 1 1 18 ARG N 1 1 18 ARG CA 1 1 18 ARG C -110.0 -50.0 . 17 . C . 18 . N . 18 . CA . 18 . C 1 1
7 . 1 1 18 ARG C 1 1 19 LEU N 1 1 19 LEU CA 1 1 19 LEU C -105.0 -44.999996 . 18 . C . 19 . N . 19 . CA . 19 . C 1 1
8 . 1 1 19 LEU C 1 1 20 LEU N 1 1 20 LEU CA 1 1 20 LEU C -95.0 -35.0 . 19 . C . 20 . N . 20 . CA . 20 . C 1 1
9 . 1 1 20 LEU C 1 1 21 ALA N 1 1 21 ALA CA 1 1 21 ALA C -110.0 -50.0 . 20 . C . 21 . N . 21 . CA . 21 . C 1 1
10 . 1 1 21 ALA C 1 1 22 GLU N 1 1 22 GLU CA 1 1 22 GLU C -105.0 -44.999996 . 21 . C . 22 . N . 22 . CA . 22 . C 1 1
11 . 1 1 22 GLU C 1 1 23 HIS N 1 1 23 HIS CA 1 1 23 HIS C -135.0 -75.0 . 22 . C . 23 . N . 23 . CA . 23 . C 1 1
12 . 1 1 23 HIS C 1 1 24 ASN N 1 1 24 ASN CA 1 1 24 ASN C 25.0 85.0 . 23 . C . 24 . N . 24 . CA . 24 . C 1 1
13 . 1 1 24 ASN C 1 1 25 LEU N 1 1 25 LEU CA 1 1 25 LEU C -150.0 -89.99999 . 24 . C . 25 . N . 25 . CA . 25 . C 1 1
14 . 1 1 25 LEU C 1 1 26 ASP N 1 1 26 ASP CA 1 1 26 ASP C -115.00001 -55.0 . 25 . C . 26 . N . 26 . CA . 26 . C 1 1
15 . 1 1 26 ASP C 1 1 27 ALA N 1 1 27 ALA CA 1 1 27 ALA C -95.0 -35.0 . 26 . C . 27 . N . 27 . CA . 27 . C 1 1
16 . 1 1 27 ALA C 1 1 28 SER N 1 1 28 SER CA 1 1 28 SER C -85.0 -25.0 . 27 . C . 28 . N . 28 . CA . 28 . C 1 1
17 . 1 1 28 SER C 1 1 29 ALA N 1 1 29 ALA CA 1 1 29 ALA C -115.00001 -55.0 . 28 . C . 29 . N . 29 . CA . 29 . C 1 1
18 . 1 1 29 ALA C 1 1 30 ILE N 1 1 30 ILE CA 1 1 30 ILE C -115.00001 -55.0 . 29 . C . 30 . N . 30 . CA . 30 . C 1 1
19 . 1 1 30 ILE C 1 1 31 LYS N 1 1 31 LYS CA 1 1 31 LYS C -145.0 -65.0 . 30 . C . 31 . N . 31 . CA . 31 . C 1 1
20 . 1 1 31 LYS C 1 1 32 GLY N 1 1 32 GLY CA 1 1 32 GLY C -155.0 -15.0 . 31 . C . 32 . N . 32 . CA . 32 . C 1 1
21 . 1 1 32 GLY C 1 1 33 THR N 1 1 33 THR CA 1 1 33 THR C -160.0 -50.0 . 32 . C . 33 . N . 33 . CA . 33 . C 1 1
22 . 1 1 34 GLY C 1 1 35 VAL N 1 1 35 VAL CA 1 1 35 VAL C -120.0 -30.0 . 34 . C . 35 . N . 35 . CA . 35 . C 1 1
23 . 1 1 36 GLY C 1 1 37 GLY N 1 1 37 GLY CA 1 1 37 GLY C 5.0 174.99998 . 36 . C . 37 . N . 37 . CA . 37 . C 1 1
24 . 1 1 37 GLY C 1 1 38 ARG N 1 1 38 ARG CA 1 1 38 ARG C -145.0 -35.0 . 37 . C . 38 . N . 38 . CA . 38 . C 1 1
25 . 1 1 38 ARG C 1 1 39 LEU N 1 1 39 LEU CA 1 1 39 LEU C -110.0 -50.0 . 38 . C . 39 . N . 39 . CA . 39 . C 1 1
26 . 1 1 39 LEU C 1 1 40 THR N 1 1 40 THR CA 1 1 40 THR C -150.0 -70.0 . 39 . C . 40 . N . 40 . CA . 40 . C 1 1
27 . 1 1 40 THR C 1 1 41 ARG N 1 1 41 ARG CA 1 1 41 ARG C -125.0 -65.0 . 40 . C . 41 . N . 41 . CA . 41 . C 1 1
28 . 1 1 41 ARG C 1 1 42 GLU N 1 1 42 GLU CA 1 1 42 GLU C -110.0 -50.0 . 41 . C . 42 . N . 42 . CA . 42 . C 1 1
29 . 1 1 42 GLU C 1 1 43 ASP N 1 1 43 ASP CA 1 1 43 ASP C -130.0 -70.0 . 42 . C . 43 . N . 43 . CA . 43 . C 1 1
30 . 1 1 43 ASP C 1 1 44 VAL N 1 1 44 VAL CA 1 1 44 VAL C -105.0 -44.999996 . 43 . C . 44 . N . 44 . CA . 44 . C 1 1
31 . 1 1 44 VAL C 1 1 45 GLU N 1 1 45 GLU CA 1 1 45 GLU C -89.99999 -30.0 . 44 . C . 45 . N . 45 . CA . 45 . C 1 1
32 . 1 1 45 GLU C 1 1 46 LYS N 1 1 46 LYS CA 1 1 46 LYS C -95.0 -35.0 . 45 . C . 46 . N . 46 . CA . 46 . C 1 1
33 . 1 1 46 LYS C 1 1 47 HIS N 1 1 47 HIS CA 1 1 47 HIS C -155.0 -65.0 . 46 . C . 47 . N . 47 . CA . 47 . C 1 1
34 . 1 1 47 HIS C 1 1 48 LEU N 1 1 48 LEU CA 1 1 48 LEU C -100.0 -40.0 . 47 . C . 48 . N . 48 . CA . 48 . C 1 1
35 . 1 1 12 LEU N 1 1 12 LEU CA 1 1 12 LEU C 1 1 13 SER N -220.0 -120.0 . 12 . N . 12 . CA . 12 . C . 13 . N 1 1
36 . 1 1 13 SER N 1 1 13 SER CA 1 1 13 SER C 1 1 14 PRO N 89.99999 190.0 . 13 . N . 13 . CA . 13 . C . 14 . N 1 1
37 . 1 1 14 PRO N 1 1 14 PRO CA 1 1 14 PRO C 1 1 15 ALA N -55.0 44.999996 . 14 . N . 14 . CA . 14 . C . 15 . N 1 1
38 . 1 1 15 ALA N 1 1 15 ALA CA 1 1 15 ALA C 1 1 16 ILE N -65.0 35.0 . 15 . N . 15 . CA . 15 . C . 16 . N 1 1
39 . 1 1 16 ILE N 1 1 16 ILE CA 1 1 16 ILE C 1 1 17 ARG N -70.0 30.0 . 16 . N . 16 . CA . 16 . C . 17 . N 1 1
40 . 1 1 17 ARG N 1 1 17 ARG CA 1 1 17 ARG C 1 1 18 ARG N -89.99999 10.0 . 17 . N . 17 . CA . 17 . C . 18 . N 1 1
41 . 1 1 18 ARG N 1 1 18 ARG CA 1 1 18 ARG C 1 1 19 LEU N -55.0 44.999996 . 18 . N . 18 . CA . 18 . C . 19 . N 1 1
42 . 1 1 19 LEU N 1 1 19 LEU CA 1 1 19 LEU C 1 1 20 LEU N -85.0 15.0 . 19 . N . 19 . CA . 19 . C . 20 . N 1 1
43 . 1 1 20 LEU N 1 1 20 LEU CA 1 1 20 LEU C 1 1 21 ALA N -80.0 20.0 . 20 . N . 20 . CA . 20 . C . 21 . N 1 1
44 . 1 1 21 ALA N 1 1 21 ALA CA 1 1 21 ALA C 1 1 22 GLU N -80.0 20.0 . 21 . N . 21 . CA . 21 . C . 22 . N 1 1
45 . 1 1 22 GLU N 1 1 22 GLU CA 1 1 22 GLU C 1 1 23 HIS N -80.0 20.0 . 22 . N . 22 . CA . 22 . C . 23 . N 1 1
46 . 1 1 23 HIS N 1 1 23 HIS CA 1 1 23 HIS C 1 1 24 ASN N -60.0 40.0 . 23 . N . 23 . CA . 23 . C . 24 . N 1 1
47 . 1 1 24 ASN N 1 1 24 ASN CA 1 1 24 ASN C 1 1 25 LEU N 20.0 120.0 . 24 . N . 24 . CA . 24 . C . 25 . N 1 1
48 . 1 1 25 LEU N 1 1 25 LEU CA 1 1 25 LEU C 1 1 26 ASP N 80.0 179.99998 . 25 . N . 25 . CA . 25 . C . 26 . N 1 1
49 . 1 1 26 ASP N 1 1 26 ASP CA 1 1 26 ASP C 1 1 27 ALA N 70.0 170.0 . 26 . N . 26 . CA . 26 . C . 27 . N 1 1
50 . 1 1 27 ALA N 1 1 27 ALA CA 1 1 27 ALA C 1 1 28 SER N -60.0 40.0 . 27 . N . 27 . CA . 27 . C . 28 . N 1 1
51 . 1 1 28 SER N 1 1 28 SER CA 1 1 28 SER C 1 1 29 ALA N -80.0 20.0 . 28 . N . 28 . CA . 28 . C . 29 . N 1 1
52 . 1 1 29 ALA N 1 1 29 ALA CA 1 1 29 ALA C 1 1 30 ILE N -75.0 25.0 . 29 . N . 29 . CA . 29 . C . 30 . N 1 1
53 . 1 1 30 ILE N 1 1 30 ILE CA 1 1 30 ILE C 1 1 31 LYS N 85.0 185.0 . 30 . N . 30 . CA . 30 . C . 31 . N 1 1
54 . 1 1 31 LYS N 1 1 31 LYS CA 1 1 31 LYS C 1 1 32 GLY N -35.0 255.0 . 31 . N . 31 . CA . 31 . C . 32 . N 1 1
55 . 1 1 32 GLY N 1 1 32 GLY CA 1 1 32 GLY C 1 1 33 THR N 5.0 174.99998 . 32 . N . 32 . CA . 32 . C . 33 . N 1 1
56 . 1 1 33 THR N 1 1 33 THR CA 1 1 33 THR C 1 1 34 GLY N -95.0 85.0 . 33 . N . 33 . CA . 33 . C . 34 . N 1 1
57 . 1 1 34 GLY N 1 1 34 GLY CA 1 1 34 GLY C 1 1 35 VAL N 130.0 230.00002 . 34 . N . 34 . CA . 34 . C . 35 . N 1 1
58 . 1 1 35 VAL N 1 1 35 VAL CA 1 1 35 VAL C 1 1 36 GLY N -35.0 155.0 . 35 . N . 35 . CA . 35 . C . 36 . N 1 1
59 . 1 1 37 GLY N 1 1 37 GLY CA 1 1 37 GLY C 1 1 38 ARG N -65.0 65.0 . 37 . N . 37 . CA . 37 . C . 38 . N 1 1
60 . 1 1 38 ARG N 1 1 38 ARG CA 1 1 38 ARG C 1 1 39 LEU N 85.0 195.0 . 38 . N . 38 . CA . 38 . C . 39 . N 1 1
61 . 1 1 39 LEU N 1 1 39 LEU CA 1 1 39 LEU C 1 1 40 THR N 75.0 174.99998 . 39 . N . 39 . CA . 39 . C . 40 . N 1 1
62 . 1 1 40 THR N 1 1 40 THR CA 1 1 40 THR C 1 1 41 ARG N -210.0 -110.0 . 40 . N . 40 . CA . 40 . C . 41 . N 1 1
63 . 1 1 41 ARG N 1 1 41 ARG CA 1 1 41 ARG C 1 1 42 GLU N -80.0 20.0 . 41 . N . 41 . CA . 41 . C . 42 . N 1 1
64 . 1 1 42 GLU N 1 1 42 GLU CA 1 1 42 GLU C 1 1 43 ASP N -55.0 44.999996 . 42 . N . 42 . CA . 42 . C . 43 . N 1 1
65 . 1 1 43 ASP N 1 1 43 ASP CA 1 1 43 ASP C 1 1 44 VAL N -89.99999 10.0 . 43 . N . 43 . CA . 43 . C . 44 . N 1 1
66 . 1 1 44 VAL N 1 1 44 VAL CA 1 1 44 VAL C 1 1 45 GLU N -80.0 20.0 . 44 . N . 44 . CA . 44 . C . 45 . N 1 1
67 . 1 1 45 GLU N 1 1 45 GLU CA 1 1 45 GLU C 1 1 46 LYS N -95.0 5.0 . 45 . N . 45 . CA . 45 . C . 46 . N 1 1
68 . 1 1 46 LYS N 1 1 46 LYS CA 1 1 46 LYS C 1 1 47 HIS N -50.0 50.0 . 46 . N . 46 . CA . 46 . C . 47 . N 1 1
69 . 1 1 47 HIS N 1 1 47 HIS CA 1 1 47 HIS C 1 1 48 LEU N -80.0 20.0 . 47 . N . 47 . CA . 47 . C . 48 . N 1 1
70 . 1 1 12 LEU N 1 1 12 LEU CA 1 1 12 LEU CB 1 1 12 LEU CG -105.0 -15.0 . 12 . N . 12 . CA . 12 . CB . 12 . CG 1 1
71 . 1 1 14 PRO N 1 1 14 PRO CA 1 1 14 PRO CB 1 1 14 PRO CG -25.0 25.0 . 14 . N . 14 . CA . 14 . CB . 14 . CG 1 1
72 . 1 1 16 ILE N 1 1 16 ILE CA 1 1 16 ILE CB 1 1 16 ILE CG1 150.0 210.0 . 16 . N . 16 . CA . 16 . CB . 16 . CG1 1 1
73 . 1 1 17 ARG N 1 1 17 ARG CA 1 1 17 ARG CB 1 1 17 ARG CG -89.99999 -30.0 . 17 . N . 17 . CA . 17 . CB . 17 . CG 1 1
74 . 1 1 18 ARG N 1 1 18 ARG CA 1 1 18 ARG CB 1 1 18 ARG CG -89.99999 -30.0 . 18 . N . 18 . CA . 18 . CB . 18 . CG 1 1
75 . 1 1 19 LEU N 1 1 19 LEU CA 1 1 19 LEU CB 1 1 19 LEU CG 150.0 210.0 . 19 . N . 19 . CA . 19 . CB . 19 . CG 1 1
76 . 1 1 20 LEU N 1 1 20 LEU CA 1 1 20 LEU CB 1 1 20 LEU CG -89.99999 -30.0 . 20 . N . 20 . CA . 20 . CB . 20 . CG 1 1
77 . 1 1 22 GLU N 1 1 22 GLU CA 1 1 22 GLU CB 1 1 22 GLU CG 150.0 210.0 . 22 . N . 22 . CA . 22 . CB . 22 . CG 1 1
78 . 1 1 23 HIS N 1 1 23 HIS CA 1 1 23 HIS CB 1 1 23 HIS CG -89.99999 -30.0 . 23 . N . 23 . CA . 23 . CB . 23 . CG 1 1
79 . 1 1 25 LEU N 1 1 25 LEU CA 1 1 25 LEU CB 1 1 25 LEU CG -89.99999 -30.0 . 25 . N . 25 . CA . 25 . CB . 25 . CG 1 1
80 . 1 1 30 ILE N 1 1 30 ILE CA 1 1 30 ILE CB 1 1 30 ILE CG1 -89.99999 -30.0 . 30 . N . 30 . CA . 30 . CB . 30 . CG1 1 1
81 . 1 1 33 THR N 1 1 33 THR CA 1 1 33 THR CB 1 1 33 THR OG1 30.0 89.99999 . 33 . N . 33 . CA . 33 . CB . 33 . OG1 1 1
82 . 1 1 35 VAL N 1 1 35 VAL CA 1 1 35 VAL CB 1 1 35 VAL CG1 150.0 210.0 . 35 . N . 35 . CA . 35 . CB . 35 . CG1 1 1
83 . 1 1 39 LEU N 1 1 39 LEU CA 1 1 39 LEU CB 1 1 39 LEU CG 150.0 210.0 . 39 . N . 39 . CA . 39 . CB . 39 . CG 1 1
84 . 1 1 40 THR N 1 1 40 THR CA 1 1 40 THR CB 1 1 40 THR OG1 30.0 89.99999 . 40 . N . 40 . CA . 40 . CB . 40 . OG1 1 1
85 . 1 1 41 ARG N 1 1 41 ARG CA 1 1 41 ARG CB 1 1 41 ARG CG 150.0 210.0 . 41 . N . 41 . CA . 41 . CB . 41 . CG 1 1
86 . 1 1 43 ASP N 1 1 43 ASP CA 1 1 43 ASP CB 1 1 43 ASP CG -89.99999 -30.0 . 43 . N . 43 . CA . 43 . CB . 43 . CG 1 1
87 . 1 1 44 VAL N 1 1 44 VAL CA 1 1 44 VAL CB 1 1 44 VAL CG1 150.0 210.0 . 44 . N . 44 . CA . 44 . CB . 44 . CG1 1 1
88 . 1 1 47 HIS N 1 1 47 HIS CA 1 1 47 HIS CB 1 1 47 HIS CG 150.0 210.0 . 47 . N . 47 . CA . 47 . CB . 47 . CG 1 1
89 . 1 1 48 LEU N 1 1 48 LEU CA 1 1 48 LEU CB 1 1 48 LEU CG -89.99999 -30.0 . 48 . N . 48 . CA . 48 . CB . 48 . CG 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 12 LEU C C 3.977 2.499 -1.641 1.00 . A A . 12 LEU C 1 1
1 2 1 1 12 LEU CA C 2.803 3.347 -1.147 1.00 . A A . 12 LEU CA 1 1
1 3 1 1 12 LEU CB C 2.128 4.025 -2.342 1.00 . A A . 12 LEU CB 1 1
1 4 1 1 12 LEU CD1 C 0.546 5.834 -3.016 1.00 . A A . 12 LEU CD1 1 1
1 5 1 1 12 LEU CD2 C 0.440 4.887 -0.712 1.00 . A A . 12 LEU CD2 1 1
1 6 1 1 12 LEU CG C 1.376 5.270 -1.861 1.00 . A A . 12 LEU CG 1 1
1 7 1 1 12 LEU H H 3.437 5.311 -0.512 1.00 . A A . 12 LEU H 1 1
1 8 1 1 12 LEU HA H 2.091 2.715 -0.647 1.00 . A A . 12 LEU HA 1 1
1 9 1 1 12 LEU HB2 H 2.878 4.313 -3.064 1.00 . A A . 12 LEU HB2 1 1
1 10 1 1 12 LEU HB3 H 1.437 3.340 -2.806 1.00 . A A . 12 LEU HB3 1 1
1 11 1 1 12 LEU HD11 H 1.097 5.742 -3.939 1.00 . A A . 12 LEU HD11 1 1
1 12 1 1 12 LEU HD12 H -0.382 5.288 -3.098 1.00 . A A . 12 LEU HD12 1 1
1 13 1 1 12 LEU HD13 H 0.329 6.876 -2.834 1.00 . A A . 12 LEU HD13 1 1
1 14 1 1 12 LEU HD21 H 0.076 3.881 -0.857 1.00 . A A . 12 LEU HD21 1 1
1 15 1 1 12 LEU HD22 H 0.972 4.942 0.226 1.00 . A A . 12 LEU HD22 1 1
1 16 1 1 12 LEU HD23 H -0.399 5.566 -0.684 1.00 . A A . 12 LEU HD23 1 1
1 17 1 1 12 LEU HG H 2.081 6.014 -1.522 1.00 . A A . 12 LEU HG 1 1
1 18 1 1 12 LEU N N 3.288 4.394 -0.201 1.00 . A A . 12 LEU N 1 1
1 19 1 1 12 LEU O O 5.112 2.731 -1.270 1.00 . A A . 12 LEU O 1 1
1 20 1 1 13 SER C C 4.464 0.267 -4.460 1.00 . A A . 13 SER C 1 1
1 21 1 1 13 SER CA C 4.771 0.662 -2.997 1.00 . A A . 13 SER CA 1 1
1 22 1 1 13 SER CB C 4.866 -0.597 -2.135 1.00 . A A . 13 SER CB 1 1
1 23 1 1 13 SER H H 2.751 1.377 -2.736 1.00 . A A . 13 SER H 1 1
1 24 1 1 13 SER HA H 5.694 1.200 -2.947 1.00 . A A . 13 SER HA 1 1
1 25 1 1 13 SER HB2 H 4.116 -0.586 -1.357 1.00 . A A . 13 SER HB2 1 1
1 26 1 1 13 SER HB3 H 4.768 -1.485 -2.740 1.00 . A A . 13 SER HB3 1 1
1 27 1 1 13 SER HG H 6.398 -1.410 -1.254 1.00 . A A . 13 SER HG 1 1
1 28 1 1 13 SER N N 3.681 1.531 -2.467 1.00 . A A . 13 SER N 1 1
1 29 1 1 13 SER O O 3.343 0.390 -4.910 1.00 . A A . 13 SER O 1 1
1 30 1 1 13 SER OG O 6.166 -0.531 -1.565 1.00 . A A . 13 SER OG 1 1
1 31 1 1 14 PRO C C 4.303 -1.772 -6.695 1.00 . A A . 14 PRO C 1 1
1 32 1 1 14 PRO CA C 5.303 -0.613 -6.578 1.00 . A A . 14 PRO CA 1 1
1 33 1 1 14 PRO CB C 6.690 -1.075 -7.036 1.00 . A A . 14 PRO CB 1 1
1 34 1 1 14 PRO CD C 6.847 -0.356 -4.653 1.00 . A A . 14 PRO CD 1 1
1 35 1 1 14 PRO CG C 7.633 -1.018 -5.796 1.00 . A A . 14 PRO CG 1 1
1 36 1 1 14 PRO HA H 4.984 0.220 -7.175 1.00 . A A . 14 PRO HA 1 1
1 37 1 1 14 PRO HB2 H 6.637 -2.086 -7.413 1.00 . A A . 14 PRO HB2 1 1
1 38 1 1 14 PRO HB3 H 7.061 -0.420 -7.811 1.00 . A A . 14 PRO HB3 1 1
1 39 1 1 14 PRO HD2 H 6.848 -0.983 -3.775 1.00 . A A . 14 PRO HD2 1 1
1 40 1 1 14 PRO HD3 H 7.275 0.609 -4.427 1.00 . A A . 14 PRO HD3 1 1
1 41 1 1 14 PRO HG2 H 7.928 -2.018 -5.511 1.00 . A A . 14 PRO HG2 1 1
1 42 1 1 14 PRO HG3 H 8.512 -0.434 -6.028 1.00 . A A . 14 PRO HG3 1 1
1 43 1 1 14 PRO N N 5.476 -0.202 -5.175 1.00 . A A . 14 PRO N 1 1
1 44 1 1 14 PRO O O 3.817 -2.066 -7.768 1.00 . A A . 14 PRO O 1 1
1 45 1 1 15 ALA C C 1.651 -3.116 -5.228 1.00 . A A . 15 ALA C 1 1
1 46 1 1 15 ALA CA C 3.065 -3.555 -5.626 1.00 . A A . 15 ALA CA 1 1
1 47 1 1 15 ALA CB C 3.550 -4.630 -4.653 1.00 . A A . 15 ALA CB 1 1
1 48 1 1 15 ALA H H 4.422 -2.123 -4.740 1.00 . A A . 15 ALA H 1 1
1 49 1 1 15 ALA HA H 3.044 -3.967 -6.619 1.00 . A A . 15 ALA HA 1 1
1 50 1 1 15 ALA HB1 H 4.620 -4.748 -4.744 1.00 . A A . 15 ALA HB1 1 1
1 51 1 1 15 ALA HB2 H 3.309 -4.343 -3.641 1.00 . A A . 15 ALA HB2 1 1
1 52 1 1 15 ALA HB3 H 3.068 -5.571 -4.879 1.00 . A A . 15 ALA HB3 1 1
1 53 1 1 15 ALA N N 4.017 -2.403 -5.588 1.00 . A A . 15 ALA N 1 1
1 54 1 1 15 ALA O O 0.727 -3.902 -5.271 1.00 . A A . 15 ALA O 1 1
1 55 1 1 16 ILE C C -0.804 -1.408 -5.653 1.00 . A A . 16 ILE C 1 1
1 56 1 1 16 ILE CA C 0.150 -1.392 -4.453 1.00 . A A . 16 ILE CA 1 1
1 57 1 1 16 ILE CB C 0.258 0.033 -3.905 1.00 . A A . 16 ILE CB 1 1
1 58 1 1 16 ILE CD1 C -0.913 1.768 -2.535 1.00 . A A . 16 ILE CD1 1 1
1 59 1 1 16 ILE CG1 C -1.056 0.395 -3.195 1.00 . A A . 16 ILE CG1 1 1
1 60 1 1 16 ILE CG2 C 0.504 1.004 -5.065 1.00 . A A . 16 ILE CG2 1 1
1 61 1 1 16 ILE H H 2.274 -1.266 -4.842 1.00 . A A . 16 ILE H 1 1
1 62 1 1 16 ILE HA H -0.240 -2.038 -3.683 1.00 . A A . 16 ILE HA 1 1
1 63 1 1 16 ILE HB H 1.076 0.092 -3.207 1.00 . A A . 16 ILE HB 1 1
1 64 1 1 16 ILE HD11 H -0.042 1.777 -1.898 1.00 . A A . 16 ILE HD11 1 1
1 65 1 1 16 ILE HD12 H -0.810 2.529 -3.292 1.00 . A A . 16 ILE HD12 1 1
1 66 1 1 16 ILE HD13 H -1.789 1.977 -1.939 1.00 . A A . 16 ILE HD13 1 1
1 67 1 1 16 ILE HG12 H -1.864 0.418 -3.911 1.00 . A A . 16 ILE HG12 1 1
1 68 1 1 16 ILE HG13 H -1.275 -0.346 -2.440 1.00 . A A . 16 ILE HG13 1 1
1 69 1 1 16 ILE HG21 H 1.165 0.549 -5.786 1.00 . A A . 16 ILE HG21 1 1
1 70 1 1 16 ILE HG22 H -0.431 1.250 -5.544 1.00 . A A . 16 ILE HG22 1 1
1 71 1 1 16 ILE HG23 H 0.959 1.910 -4.691 1.00 . A A . 16 ILE HG23 1 1
1 72 1 1 16 ILE N N 1.506 -1.874 -4.856 1.00 . A A . 16 ILE N 1 1
1 73 1 1 16 ILE O O -1.971 -1.715 -5.517 1.00 . A A . 16 ILE O 1 1
1 74 1 1 17 ARG C C -1.624 -2.489 -8.346 1.00 . A A . 17 ARG C 1 1
1 75 1 1 17 ARG CA C -1.151 -1.069 -8.021 1.00 . A A . 17 ARG CA 1 1
1 76 1 1 17 ARG CB C -0.352 -0.516 -9.199 1.00 . A A . 17 ARG CB 1 1
1 77 1 1 17 ARG CD C 0.713 1.534 -10.137 1.00 . A A . 17 ARG CD 1 1
1 78 1 1 17 ARG CG C 0.043 0.932 -8.900 1.00 . A A . 17 ARG CG 1 1
1 79 1 1 17 ARG CZ C 1.096 3.833 -10.773 1.00 . A A . 17 ARG CZ 1 1
1 80 1 1 17 ARG H H 0.662 -0.838 -6.870 1.00 . A A . 17 ARG H 1 1
1 81 1 1 17 ARG HA H -2.007 -0.439 -7.845 1.00 . A A . 17 ARG HA 1 1
1 82 1 1 17 ARG HB2 H 0.537 -1.112 -9.345 1.00 . A A . 17 ARG HB2 1 1
1 83 1 1 17 ARG HB3 H -0.954 -0.551 -10.095 1.00 . A A . 17 ARG HB3 1 1
1 84 1 1 17 ARG HD2 H 1.584 0.953 -10.403 1.00 . A A . 17 ARG HD2 1 1
1 85 1 1 17 ARG HD3 H 0.020 1.540 -10.965 1.00 . A A . 17 ARG HD3 1 1
1 86 1 1 17 ARG HE H 1.422 3.173 -8.926 1.00 . A A . 17 ARG HE 1 1
1 87 1 1 17 ARG HG2 H -0.838 1.504 -8.651 1.00 . A A . 17 ARG HG2 1 1
1 88 1 1 17 ARG HG3 H 0.729 0.956 -8.068 1.00 . A A . 17 ARG HG3 1 1
1 89 1 1 17 ARG HH11 H 1.489 2.502 -12.216 1.00 . A A . 17 ARG HH11 1 1
1 90 1 1 17 ARG HH12 H 1.285 4.138 -12.743 1.00 . A A . 17 ARG HH12 1 1
1 91 1 1 17 ARG HH21 H 0.698 5.323 -9.497 1.00 . A A . 17 ARG HH21 1 1
1 92 1 1 17 ARG HH22 H 0.826 5.778 -11.164 1.00 . A A . 17 ARG HH22 1 1
1 93 1 1 17 ARG N N -0.286 -1.078 -6.805 1.00 . A A . 17 ARG N 1 1
1 94 1 1 17 ARG NE N 1.128 2.932 -9.829 1.00 . A A . 17 ARG NE 1 1
1 95 1 1 17 ARG NH1 N 1.307 3.462 -12.007 1.00 . A A . 17 ARG NH1 1 1
1 96 1 1 17 ARG NH2 N 0.855 5.075 -10.453 1.00 . A A . 17 ARG NH2 1 1
1 97 1 1 17 ARG O O -2.793 -2.717 -8.584 1.00 . A A . 17 ARG O 1 1
1 98 1 1 18 ARG C C -1.854 -5.436 -7.482 1.00 . A A . 18 ARG C 1 1
1 99 1 1 18 ARG CA C -1.081 -4.823 -8.657 1.00 . A A . 18 ARG CA 1 1
1 100 1 1 18 ARG CB C 0.189 -5.636 -8.913 1.00 . A A . 18 ARG CB 1 1
1 101 1 1 18 ARG CD C 1.361 -5.989 -11.087 1.00 . A A . 18 ARG CD 1 1
1 102 1 1 18 ARG CG C 1.004 -4.956 -10.016 1.00 . A A . 18 ARG CG 1 1
1 103 1 1 18 ARG CZ C 3.209 -5.893 -12.642 1.00 . A A . 18 ARG CZ 1 1
1 104 1 1 18 ARG H H 0.228 -3.184 -8.148 1.00 . A A . 18 ARG H 1 1
1 105 1 1 18 ARG HA H -1.698 -4.842 -9.538 1.00 . A A . 18 ARG HA 1 1
1 106 1 1 18 ARG HB2 H 0.775 -5.687 -8.008 1.00 . A A . 18 ARG HB2 1 1
1 107 1 1 18 ARG HB3 H -0.077 -6.635 -9.221 1.00 . A A . 18 ARG HB3 1 1
1 108 1 1 18 ARG HD2 H 1.959 -6.776 -10.654 1.00 . A A . 18 ARG HD2 1 1
1 109 1 1 18 ARG HD3 H 0.460 -6.413 -11.504 1.00 . A A . 18 ARG HD3 1 1
1 110 1 1 18 ARG HE H 1.845 -4.451 -12.520 1.00 . A A . 18 ARG HE 1 1
1 111 1 1 18 ARG HG2 H 0.423 -4.160 -10.459 1.00 . A A . 18 ARG HG2 1 1
1 112 1 1 18 ARG HG3 H 1.908 -4.541 -9.596 1.00 . A A . 18 ARG HG3 1 1
1 113 1 1 18 ARG HH11 H 2.182 -7.429 -13.413 1.00 . A A . 18 ARG HH11 1 1
1 114 1 1 18 ARG HH12 H 3.896 -7.475 -13.657 1.00 . A A . 18 ARG HH12 1 1
1 115 1 1 18 ARG HH21 H 4.423 -4.457 -11.954 1.00 . A A . 18 ARG HH21 1 1
1 116 1 1 18 ARG HH22 H 5.198 -5.748 -12.808 1.00 . A A . 18 ARG HH22 1 1
1 117 1 1 18 ARG N N -0.703 -3.413 -8.348 1.00 . A A . 18 ARG N 1 1
1 118 1 1 18 ARG NE N 2.137 -5.318 -12.168 1.00 . A A . 18 ARG NE 1 1
1 119 1 1 18 ARG NH1 N 3.086 -7.021 -13.287 1.00 . A A . 18 ARG NH1 1 1
1 120 1 1 18 ARG NH2 N 4.367 -5.322 -12.453 1.00 . A A . 18 ARG NH2 1 1
1 121 1 1 18 ARG O O -2.450 -6.487 -7.611 1.00 . A A . 18 ARG O 1 1
1 122 1 1 19 LEU C C -4.072 -5.281 -5.435 1.00 . A A . 19 LEU C 1 1
1 123 1 1 19 LEU CA C -2.562 -5.298 -5.175 1.00 . A A . 19 LEU CA 1 1
1 124 1 1 19 LEU CB C -2.248 -4.429 -3.958 1.00 . A A . 19 LEU CB 1 1
1 125 1 1 19 LEU CD1 C -1.312 -5.954 -2.219 1.00 . A A . 19 LEU CD1 1 1
1 126 1 1 19 LEU CD2 C -3.012 -4.239 -1.591 1.00 . A A . 19 LEU CD2 1 1
1 127 1 1 19 LEU CG C -2.568 -5.213 -2.684 1.00 . A A . 19 LEU CG 1 1
1 128 1 1 19 LEU H H -1.336 -3.921 -6.302 1.00 . A A . 19 LEU H 1 1
1 129 1 1 19 LEU HA H -2.244 -6.308 -4.982 1.00 . A A . 19 LEU HA 1 1
1 130 1 1 19 LEU HB2 H -1.203 -4.160 -3.964 1.00 . A A . 19 LEU HB2 1 1
1 131 1 1 19 LEU HB3 H -2.844 -3.529 -3.990 1.00 . A A . 19 LEU HB3 1 1
1 132 1 1 19 LEU HD11 H -0.752 -6.296 -3.077 1.00 . A A . 19 LEU HD11 1 1
1 133 1 1 19 LEU HD12 H -0.694 -5.291 -1.632 1.00 . A A . 19 LEU HD12 1 1
1 134 1 1 19 LEU HD13 H -1.594 -6.805 -1.616 1.00 . A A . 19 LEU HD13 1 1
1 135 1 1 19 LEU HD21 H -2.243 -3.498 -1.429 1.00 . A A . 19 LEU HD21 1 1
1 136 1 1 19 LEU HD22 H -3.924 -3.746 -1.890 1.00 . A A . 19 LEU HD22 1 1
1 137 1 1 19 LEU HD23 H -3.185 -4.777 -0.670 1.00 . A A . 19 LEU HD23 1 1
1 138 1 1 19 LEU HG H -3.358 -5.923 -2.882 1.00 . A A . 19 LEU HG 1 1
1 139 1 1 19 LEU N N -1.830 -4.765 -6.362 1.00 . A A . 19 LEU N 1 1
1 140 1 1 19 LEU O O -4.798 -6.121 -4.944 1.00 . A A . 19 LEU O 1 1
1 141 1 1 20 LEU C C -6.335 -5.207 -7.630 1.00 . A A . 20 LEU C 1 1
1 142 1 1 20 LEU CA C -5.967 -4.234 -6.506 1.00 . A A . 20 LEU CA 1 1
1 143 1 1 20 LEU CB C -6.303 -2.807 -6.937 1.00 . A A . 20 LEU CB 1 1
1 144 1 1 20 LEU CD1 C -5.828 -0.485 -6.158 1.00 . A A . 20 LEU CD1 1 1
1 145 1 1 20 LEU CD2 C -7.634 -1.819 -5.071 1.00 . A A . 20 LEU CD2 1 1
1 146 1 1 20 LEU CG C -6.247 -1.887 -5.715 1.00 . A A . 20 LEU CG 1 1
1 147 1 1 20 LEU H H -3.886 -3.665 -6.579 1.00 . A A . 20 LEU H 1 1
1 148 1 1 20 LEU HA H -6.530 -4.479 -5.622 1.00 . A A . 20 LEU HA 1 1
1 149 1 1 20 LEU HB2 H -5.588 -2.473 -7.675 1.00 . A A . 20 LEU HB2 1 1
1 150 1 1 20 LEU HB3 H -7.293 -2.780 -7.366 1.00 . A A . 20 LEU HB3 1 1
1 151 1 1 20 LEU HD11 H -6.243 -0.270 -7.131 1.00 . A A . 20 LEU HD11 1 1
1 152 1 1 20 LEU HD12 H -6.190 0.244 -5.448 1.00 . A A . 20 LEU HD12 1 1
1 153 1 1 20 LEU HD13 H -4.751 -0.425 -6.210 1.00 . A A . 20 LEU HD13 1 1
1 154 1 1 20 LEU HD21 H -7.951 -2.810 -4.781 1.00 . A A . 20 LEU HD21 1 1
1 155 1 1 20 LEU HD22 H -7.599 -1.187 -4.196 1.00 . A A . 20 LEU HD22 1 1
1 156 1 1 20 LEU HD23 H -8.344 -1.411 -5.776 1.00 . A A . 20 LEU HD23 1 1
1 157 1 1 20 LEU HG H -5.533 -2.274 -5.001 1.00 . A A . 20 LEU HG 1 1
1 158 1 1 20 LEU N N -4.509 -4.322 -6.203 1.00 . A A . 20 LEU N 1 1
1 159 1 1 20 LEU O O -7.440 -5.712 -7.681 1.00 . A A . 20 LEU O 1 1
1 160 1 1 21 ALA C C -5.379 -7.832 -9.205 1.00 . A A . 21 ALA C 1 1
1 161 1 1 21 ALA CA C -5.680 -6.392 -9.632 1.00 . A A . 21 ALA CA 1 1
1 162 1 1 21 ALA CB C -4.801 -6.020 -10.825 1.00 . A A . 21 ALA CB 1 1
1 163 1 1 21 ALA H H -4.523 -5.022 -8.428 1.00 . A A . 21 ALA H 1 1
1 164 1 1 21 ALA HA H -6.715 -6.312 -9.916 1.00 . A A . 21 ALA HA 1 1
1 165 1 1 21 ALA HB1 H -4.866 -4.957 -11.009 1.00 . A A . 21 ALA HB1 1 1
1 166 1 1 21 ALA HB2 H -3.774 -6.281 -10.617 1.00 . A A . 21 ALA HB2 1 1
1 167 1 1 21 ALA HB3 H -5.133 -6.554 -11.704 1.00 . A A . 21 ALA HB3 1 1
1 168 1 1 21 ALA N N -5.400 -5.452 -8.508 1.00 . A A . 21 ALA N 1 1
1 169 1 1 21 ALA O O -5.678 -8.770 -9.918 1.00 . A A . 21 ALA O 1 1
1 170 1 1 22 GLU C C -5.657 -9.936 -6.797 1.00 . A A . 22 GLU C 1 1
1 171 1 1 22 GLU CA C -4.464 -9.347 -7.559 1.00 . A A . 22 GLU CA 1 1
1 172 1 1 22 GLU CB C -3.252 -9.271 -6.632 1.00 . A A . 22 GLU CB 1 1
1 173 1 1 22 GLU CD C -1.453 -10.800 -5.823 1.00 . A A . 22 GLU CD 1 1
1 174 1 1 22 GLU CG C -2.955 -10.665 -6.077 1.00 . A A . 22 GLU CG 1 1
1 175 1 1 22 GLU H H -4.568 -7.191 -7.506 1.00 . A A . 22 GLU H 1 1
1 176 1 1 22 GLU HA H -4.230 -9.979 -8.398 1.00 . A A . 22 GLU HA 1 1
1 177 1 1 22 GLU HB2 H -2.396 -8.911 -7.183 1.00 . A A . 22 GLU HB2 1 1
1 178 1 1 22 GLU HB3 H -3.460 -8.593 -5.817 1.00 . A A . 22 GLU HB3 1 1
1 179 1 1 22 GLU HG2 H -3.488 -10.812 -5.150 1.00 . A A . 22 GLU HG2 1 1
1 180 1 1 22 GLU HG3 H -3.265 -11.416 -6.790 1.00 . A A . 22 GLU HG3 1 1
1 181 1 1 22 GLU N N -4.792 -7.976 -8.048 1.00 . A A . 22 GLU N 1 1
1 182 1 1 22 GLU O O -6.016 -11.080 -6.991 1.00 . A A . 22 GLU O 1 1
1 183 1 1 22 GLU OE1 O -0.861 -9.776 -5.524 1.00 . A A . 22 GLU OE1 1 1
1 184 1 1 22 GLU OE2 O -0.981 -11.919 -5.942 1.00 . A A . 22 GLU OE2 1 1
1 185 1 1 23 HIS C C -8.721 -9.182 -5.822 1.00 . A A . 23 HIS C 1 1
1 186 1 1 23 HIS CA C -7.415 -9.634 -5.161 1.00 . A A . 23 HIS CA 1 1
1 187 1 1 23 HIS CB C -7.342 -9.073 -3.742 1.00 . A A . 23 HIS CB 1 1
1 188 1 1 23 HIS CD2 C -5.076 -8.187 -2.726 1.00 . A A . 23 HIS CD2 1 1
1 189 1 1 23 HIS CE1 C -4.064 -10.011 -2.723 1.00 . A A . 23 HIS CE1 1 1
1 190 1 1 23 HIS CG C -5.903 -9.171 -3.232 1.00 . A A . 23 HIS CG 1 1
1 191 1 1 23 HIS H H -5.920 -8.222 -5.821 1.00 . A A . 23 HIS H 1 1
1 192 1 1 23 HIS HA H -7.390 -10.709 -5.120 1.00 . A A . 23 HIS HA 1 1
1 193 1 1 23 HIS HB2 H -7.651 -8.039 -3.741 1.00 . A A . 23 HIS HB2 1 1
1 194 1 1 23 HIS HB3 H -7.991 -9.641 -3.091 1.00 . A A . 23 HIS HB3 1 1
1 195 1 1 23 HIS HD1 H -5.548 -11.102 -3.493 1.00 . A A . 23 HIS HD1 1 1
1 196 1 1 23 HIS HD2 H -5.341 -7.146 -2.611 1.00 . A A . 23 HIS HD2 1 1
1 197 1 1 23 HIS HE1 H -3.313 -10.777 -2.602 1.00 . A A . 23 HIS HE1 1 1
1 198 1 1 23 HIS N N -6.244 -9.138 -5.944 1.00 . A A . 23 HIS N 1 1
1 199 1 1 23 HIS ND1 N -5.225 -10.225 -3.195 1.00 . A A . 23 HIS ND1 1 1
1 200 1 1 23 HIS NE2 N -3.880 -8.734 -2.396 1.00 . A A . 23 HIS NE2 1 1
1 201 1 1 23 HIS O O -9.797 -9.464 -5.334 1.00 . A A . 23 HIS O 1 1
1 202 1 1 24 ASN C C -10.751 -7.287 -6.644 1.00 . A A . 24 ASN C 1 1
1 203 1 1 24 ASN CA C -9.821 -8.007 -7.625 1.00 . A A . 24 ASN CA 1 1
1 204 1 1 24 ASN CB C -10.549 -9.206 -8.231 1.00 . A A . 24 ASN CB 1 1
1 205 1 1 24 ASN CG C -10.241 -9.282 -9.728 1.00 . A A . 24 ASN CG 1 1
1 206 1 1 24 ASN H H -7.707 -8.282 -7.277 1.00 . A A . 24 ASN H 1 1
1 207 1 1 24 ASN HA H -9.537 -7.330 -8.413 1.00 . A A . 24 ASN HA 1 1
1 208 1 1 24 ASN HB2 H -10.219 -10.116 -7.752 1.00 . A A . 24 ASN HB2 1 1
1 209 1 1 24 ASN HB3 H -11.615 -9.095 -8.091 1.00 . A A . 24 ASN HB3 1 1
1 210 1 1 24 ASN HD21 H -8.291 -9.006 -9.473 1.00 . A A . 24 ASN HD21 1 1
1 211 1 1 24 ASN HD22 H -8.792 -9.198 -11.083 1.00 . A A . 24 ASN HD22 1 1
1 212 1 1 24 ASN N N -8.597 -8.487 -6.920 1.00 . A A . 24 ASN N 1 1
1 213 1 1 24 ASN ND2 N -9.005 -9.151 -10.127 1.00 . A A . 24 ASN ND2 1 1
1 214 1 1 24 ASN O O -11.609 -7.896 -6.038 1.00 . A A . 24 ASN O 1 1
1 215 1 1 24 ASN OD1 O -11.122 -9.461 -10.546 1.00 . A A . 24 ASN OD1 1 1
1 216 1 1 25 LEU C C -11.711 -3.836 -6.152 1.00 . A A . 25 LEU C 1 1
1 217 1 1 25 LEU CA C -11.421 -5.225 -5.572 1.00 . A A . 25 LEU CA 1 1
1 218 1 1 25 LEU CB C -10.698 -5.076 -4.231 1.00 . A A . 25 LEU CB 1 1
1 219 1 1 25 LEU CD1 C -9.961 -6.299 -2.182 1.00 . A A . 25 LEU CD1 1 1
1 220 1 1 25 LEU CD2 C -12.335 -6.490 -2.933 1.00 . A A . 25 LEU CD2 1 1
1 221 1 1 25 LEU CG C -10.877 -6.361 -3.405 1.00 . A A . 25 LEU CG 1 1
1 222 1 1 25 LEU H H -9.852 -5.552 -7.020 1.00 . A A . 25 LEU H 1 1
1 223 1 1 25 LEU HA H -12.349 -5.748 -5.424 1.00 . A A . 25 LEU HA 1 1
1 224 1 1 25 LEU HB2 H -9.646 -4.908 -4.408 1.00 . A A . 25 LEU HB2 1 1
1 225 1 1 25 LEU HB3 H -11.100 -4.232 -3.690 1.00 . A A . 25 LEU HB3 1 1
1 226 1 1 25 LEU HD11 H -8.935 -6.178 -2.499 1.00 . A A . 25 LEU HD11 1 1
1 227 1 1 25 LEU HD12 H -10.241 -5.462 -1.558 1.00 . A A . 25 LEU HD12 1 1
1 228 1 1 25 LEU HD13 H -10.051 -7.212 -1.611 1.00 . A A . 25 LEU HD13 1 1
1 229 1 1 25 LEU HD21 H -12.879 -5.584 -3.153 1.00 . A A . 25 LEU HD21 1 1
1 230 1 1 25 LEU HD22 H -12.808 -7.317 -3.439 1.00 . A A . 25 LEU HD22 1 1
1 231 1 1 25 LEU HD23 H -12.357 -6.666 -1.869 1.00 . A A . 25 LEU HD23 1 1
1 232 1 1 25 LEU HG H -10.615 -7.218 -4.008 1.00 . A A . 25 LEU HG 1 1
1 233 1 1 25 LEU N N -10.557 -6.002 -6.509 1.00 . A A . 25 LEU N 1 1
1 234 1 1 25 LEU O O -10.839 -3.202 -6.715 1.00 . A A . 25 LEU O 1 1
1 235 1 1 26 ASP C C -12.994 -0.965 -5.497 1.00 . A A . 26 ASP C 1 1
1 236 1 1 26 ASP CA C -13.293 -2.049 -6.539 1.00 . A A . 26 ASP CA 1 1
1 237 1 1 26 ASP CB C -14.782 -2.033 -6.880 1.00 . A A . 26 ASP CB 1 1
1 238 1 1 26 ASP CG C -15.018 -2.851 -8.151 1.00 . A A . 26 ASP CG 1 1
1 239 1 1 26 ASP H H -13.599 -3.939 -5.541 1.00 . A A . 26 ASP H 1 1
1 240 1 1 26 ASP HA H -12.722 -1.854 -7.430 1.00 . A A . 26 ASP HA 1 1
1 241 1 1 26 ASP HB2 H -15.347 -2.465 -6.068 1.00 . A A . 26 ASP HB2 1 1
1 242 1 1 26 ASP HB3 H -15.109 -1.016 -7.042 1.00 . A A . 26 ASP HB3 1 1
1 243 1 1 26 ASP N N -12.929 -3.393 -6.002 1.00 . A A . 26 ASP N 1 1
1 244 1 1 26 ASP O O -13.661 -0.872 -4.486 1.00 . A A . 26 ASP O 1 1
1 245 1 1 26 ASP OD1 O -14.164 -3.674 -8.433 1.00 . A A . 26 ASP OD1 1 1
1 246 1 1 26 ASP OD2 O -16.041 -2.605 -8.771 1.00 . A A . 26 ASP OD2 1 1
1 247 1 1 27 ALA C C -12.808 1.900 -4.659 1.00 . A A . 27 ALA C 1 1
1 248 1 1 27 ALA CA C -11.642 0.916 -4.806 1.00 . A A . 27 ALA CA 1 1
1 249 1 1 27 ALA CB C -10.411 1.658 -5.323 1.00 . A A . 27 ALA CB 1 1
1 250 1 1 27 ALA H H -11.488 -0.278 -6.598 1.00 . A A . 27 ALA H 1 1
1 251 1 1 27 ALA HA H -11.418 0.482 -3.847 1.00 . A A . 27 ALA HA 1 1
1 252 1 1 27 ALA HB1 H -9.957 1.097 -6.126 1.00 . A A . 27 ALA HB1 1 1
1 253 1 1 27 ALA HB2 H -10.700 2.633 -5.689 1.00 . A A . 27 ALA HB2 1 1
1 254 1 1 27 ALA HB3 H -9.695 1.777 -4.523 1.00 . A A . 27 ALA HB3 1 1
1 255 1 1 27 ALA N N -11.998 -0.167 -5.769 1.00 . A A . 27 ALA N 1 1
1 256 1 1 27 ALA O O -12.856 2.675 -3.725 1.00 . A A . 27 ALA O 1 1
1 257 1 1 28 SER C C -15.694 2.521 -4.239 1.00 . A A . 28 SER C 1 1
1 258 1 1 28 SER CA C -14.891 2.773 -5.520 1.00 . A A . 28 SER CA 1 1
1 259 1 1 28 SER CB C -15.786 2.539 -6.735 1.00 . A A . 28 SER CB 1 1
1 260 1 1 28 SER H H -13.643 1.205 -6.325 1.00 . A A . 28 SER H 1 1
1 261 1 1 28 SER HA H -14.541 3.792 -5.528 1.00 . A A . 28 SER HA 1 1
1 262 1 1 28 SER HB2 H -16.051 1.495 -6.820 1.00 . A A . 28 SER HB2 1 1
1 263 1 1 28 SER HB3 H -16.674 3.150 -6.681 1.00 . A A . 28 SER HB3 1 1
1 264 1 1 28 SER HG H -15.568 3.150 -8.568 1.00 . A A . 28 SER HG 1 1
1 265 1 1 28 SER N N -13.723 1.847 -5.588 1.00 . A A . 28 SER N 1 1
1 266 1 1 28 SER O O -16.335 3.413 -3.720 1.00 . A A . 28 SER O 1 1
1 267 1 1 28 SER OG O -14.984 2.933 -7.838 1.00 . A A . 28 SER OG 1 1
1 268 1 1 29 ALA C C -15.557 1.333 -1.278 1.00 . A A . 29 ALA C 1 1
1 269 1 1 29 ALA CA C -16.395 0.984 -2.512 1.00 . A A . 29 ALA CA 1 1
1 270 1 1 29 ALA CB C -16.719 -0.511 -2.503 1.00 . A A . 29 ALA CB 1 1
1 271 1 1 29 ALA H H -15.108 0.621 -4.208 1.00 . A A . 29 ALA H 1 1
1 272 1 1 29 ALA HA H -17.312 1.546 -2.492 1.00 . A A . 29 ALA HA 1 1
1 273 1 1 29 ALA HB1 H -16.979 -0.834 -3.499 1.00 . A A . 29 ALA HB1 1 1
1 274 1 1 29 ALA HB2 H -15.859 -1.067 -2.161 1.00 . A A . 29 ALA HB2 1 1
1 275 1 1 29 ALA HB3 H -17.551 -0.699 -1.839 1.00 . A A . 29 ALA HB3 1 1
1 276 1 1 29 ALA N N -15.640 1.310 -3.757 1.00 . A A . 29 ALA N 1 1
1 277 1 1 29 ALA O O -16.059 1.373 -0.173 1.00 . A A . 29 ALA O 1 1
1 278 1 1 30 ILE C C -13.248 3.449 -0.241 1.00 . A A . 30 ILE C 1 1
1 279 1 1 30 ILE CA C -13.402 1.927 -0.348 1.00 . A A . 30 ILE CA 1 1
1 280 1 1 30 ILE CB C -12.024 1.287 -0.579 1.00 . A A . 30 ILE CB 1 1
1 281 1 1 30 ILE CD1 C -13.037 -0.891 0.188 1.00 . A A . 30 ILE CD1 1 1
1 282 1 1 30 ILE CG1 C -12.204 -0.210 -0.905 1.00 . A A . 30 ILE CG1 1 1
1 283 1 1 30 ILE CG2 C -11.147 1.457 0.681 1.00 . A A . 30 ILE CG2 1 1
1 284 1 1 30 ILE H H -13.931 1.539 -2.407 1.00 . A A . 30 ILE H 1 1
1 285 1 1 30 ILE HA H -13.831 1.548 0.561 1.00 . A A . 30 ILE HA 1 1
1 286 1 1 30 ILE HB H -11.542 1.776 -1.412 1.00 . A A . 30 ILE HB 1 1
1 287 1 1 30 ILE HD11 H -12.768 -0.500 1.156 1.00 . A A . 30 ILE HD11 1 1
1 288 1 1 30 ILE HD12 H -14.087 -0.711 0.011 1.00 . A A . 30 ILE HD12 1 1
1 289 1 1 30 ILE HD13 H -12.854 -1.955 0.173 1.00 . A A . 30 ILE HD13 1 1
1 290 1 1 30 ILE HG12 H -12.710 -0.309 -1.854 1.00 . A A . 30 ILE HG12 1 1
1 291 1 1 30 ILE HG13 H -11.237 -0.687 -0.975 1.00 . A A . 30 ILE HG13 1 1
1 292 1 1 30 ILE HG21 H -11.767 1.632 1.545 1.00 . A A . 30 ILE HG21 1 1
1 293 1 1 30 ILE HG22 H -10.559 0.567 0.843 1.00 . A A . 30 ILE HG22 1 1
1 294 1 1 30 ILE HG23 H -10.482 2.299 0.548 1.00 . A A . 30 ILE HG23 1 1
1 295 1 1 30 ILE N N -14.293 1.581 -1.496 1.00 . A A . 30 ILE N 1 1
1 296 1 1 30 ILE O O -13.228 4.146 -1.236 1.00 . A A . 30 ILE O 1 1
1 297 1 1 31 LYS C C -11.506 5.767 1.286 1.00 . A A . 31 LYS C 1 1
1 298 1 1 31 LYS CA C -12.989 5.404 1.160 1.00 . A A . 31 LYS CA 1 1
1 299 1 1 31 LYS CB C -13.725 5.823 2.432 1.00 . A A . 31 LYS CB 1 1
1 300 1 1 31 LYS CD C -15.903 5.717 3.642 1.00 . A A . 31 LYS CD 1 1
1 301 1 1 31 LYS CE C -17.409 5.507 3.468 1.00 . A A . 31 LYS CE 1 1
1 302 1 1 31 LYS CG C -15.198 5.427 2.315 1.00 . A A . 31 LYS CG 1 1
1 303 1 1 31 LYS H H -13.168 3.331 1.743 1.00 . A A . 31 LYS H 1 1
1 304 1 1 31 LYS HA H -13.413 5.920 0.316 1.00 . A A . 31 LYS HA 1 1
1 305 1 1 31 LYS HB2 H -13.283 5.330 3.285 1.00 . A A . 31 LYS HB2 1 1
1 306 1 1 31 LYS HB3 H -13.646 6.893 2.561 1.00 . A A . 31 LYS HB3 1 1
1 307 1 1 31 LYS HD2 H -15.529 5.049 4.404 1.00 . A A . 31 LYS HD2 1 1
1 308 1 1 31 LYS HD3 H -15.711 6.737 3.939 1.00 . A A . 31 LYS HD3 1 1
1 309 1 1 31 LYS HE2 H -17.600 5.028 2.519 1.00 . A A . 31 LYS HE2 1 1
1 310 1 1 31 LYS HE3 H -17.780 4.877 4.262 1.00 . A A . 31 LYS HE3 1 1
1 311 1 1 31 LYS HG2 H -15.665 5.994 1.524 1.00 . A A . 31 LYS HG2 1 1
1 312 1 1 31 LYS HG3 H -15.274 4.373 2.086 1.00 . A A . 31 LYS HG3 1 1
1 313 1 1 31 LYS HZ1 H -17.500 7.562 3.148 1.00 . A A . 31 LYS HZ1 1 1
1 314 1 1 31 LYS HZ2 H -18.978 6.758 2.915 1.00 . A A . 31 LYS HZ2 1 1
1 315 1 1 31 LYS HZ3 H -18.398 7.028 4.488 1.00 . A A . 31 LYS HZ3 1 1
1 316 1 1 31 LYS N N -13.144 3.931 0.968 1.00 . A A . 31 LYS N 1 1
1 317 1 1 31 LYS NZ N -18.125 6.812 3.508 1.00 . A A . 31 LYS NZ 1 1
1 318 1 1 31 LYS O O -10.814 5.268 2.152 1.00 . A A . 31 LYS O 1 1
1 319 1 1 32 GLY C C -9.460 8.323 1.282 1.00 . A A . 32 GLY C 1 1
1 320 1 1 32 GLY CA C -9.617 7.034 0.474 1.00 . A A . 32 GLY CA 1 1
1 321 1 1 32 GLY H H -11.644 7.003 -0.264 1.00 . A A . 32 GLY H 1 1
1 322 1 1 32 GLY HA2 H -9.041 6.248 0.940 1.00 . A A . 32 GLY HA2 1 1
1 323 1 1 32 GLY HA3 H -9.253 7.196 -0.531 1.00 . A A . 32 GLY HA3 1 1
1 324 1 1 32 GLY N N -11.050 6.628 0.418 1.00 . A A . 32 GLY N 1 1
1 325 1 1 32 GLY O O -9.417 9.405 0.729 1.00 . A A . 32 GLY O 1 1
1 326 1 1 33 THR C C -7.769 9.880 3.407 1.00 . A A . 33 THR C 1 1
1 327 1 1 33 THR CA C -9.222 9.392 3.438 1.00 . A A . 33 THR CA 1 1
1 328 1 1 33 THR CB C -9.610 9.038 4.876 1.00 . A A . 33 THR CB 1 1
1 329 1 1 33 THR CG2 C -11.056 8.560 4.965 1.00 . A A . 33 THR CG2 1 1
1 330 1 1 33 THR H H -9.419 7.290 2.981 1.00 . A A . 33 THR H 1 1
1 331 1 1 33 THR HA H -9.868 10.173 3.077 1.00 . A A . 33 THR HA 1 1
1 332 1 1 33 THR HB H -9.424 9.849 5.557 1.00 . A A . 33 THR HB 1 1
1 333 1 1 33 THR HG1 H -8.279 7.687 4.430 1.00 . A A . 33 THR HG1 1 1
1 334 1 1 33 THR HG21 H -11.384 8.205 3.998 1.00 . A A . 33 THR HG21 1 1
1 335 1 1 33 THR HG22 H -11.132 7.757 5.682 1.00 . A A . 33 THR HG22 1 1
1 336 1 1 33 THR HG23 H -11.692 9.376 5.277 1.00 . A A . 33 THR HG23 1 1
1 337 1 1 33 THR N N -9.378 8.183 2.577 1.00 . A A . 33 THR N 1 1
1 338 1 1 33 THR O O -7.268 10.407 4.380 1.00 . A A . 33 THR O 1 1
1 339 1 1 33 THR OG1 O -8.817 7.899 5.196 1.00 . A A . 33 THR OG1 1 1
1 340 1 1 34 GLY C C -5.614 11.657 2.335 1.00 . A A . 34 GLY C 1 1
1 341 1 1 34 GLY CA C -5.708 10.138 2.176 1.00 . A A . 34 GLY CA 1 1
1 342 1 1 34 GLY H H -7.569 9.261 1.528 1.00 . A A . 34 GLY H 1 1
1 343 1 1 34 GLY HA2 H -5.121 9.662 2.947 1.00 . A A . 34 GLY HA2 1 1
1 344 1 1 34 GLY HA3 H -5.319 9.857 1.208 1.00 . A A . 34 GLY HA3 1 1
1 345 1 1 34 GLY N N -7.125 9.692 2.288 1.00 . A A . 34 GLY N 1 1
1 346 1 1 34 GLY O O -6.616 12.333 2.466 1.00 . A A . 34 GLY O 1 1
1 347 1 1 35 VAL C C -4.784 14.363 1.236 1.00 . A A . 35 VAL C 1 1
1 348 1 1 35 VAL CA C -4.237 13.639 2.470 1.00 . A A . 35 VAL CA 1 1
1 349 1 1 35 VAL CB C -2.751 13.953 2.629 1.00 . A A . 35 VAL CB 1 1
1 350 1 1 35 VAL CG1 C -2.573 15.457 2.848 1.00 . A A . 35 VAL CG1 1 1
1 351 1 1 35 VAL CG2 C -2.204 13.200 3.843 1.00 . A A . 35 VAL CG2 1 1
1 352 1 1 35 VAL H H -3.631 11.581 2.213 1.00 . A A . 35 VAL H 1 1
1 353 1 1 35 VAL HA H -4.767 13.974 3.345 1.00 . A A . 35 VAL HA 1 1
1 354 1 1 35 VAL HB H -2.216 13.649 1.741 1.00 . A A . 35 VAL HB 1 1
1 355 1 1 35 VAL HG11 H -3.310 15.811 3.554 1.00 . A A . 35 VAL HG11 1 1
1 356 1 1 35 VAL HG12 H -1.585 15.656 3.235 1.00 . A A . 35 VAL HG12 1 1
1 357 1 1 35 VAL HG13 H -2.699 15.979 1.911 1.00 . A A . 35 VAL HG13 1 1
1 358 1 1 35 VAL HG21 H -2.767 13.471 4.724 1.00 . A A . 35 VAL HG21 1 1
1 359 1 1 35 VAL HG22 H -2.289 12.136 3.681 1.00 . A A . 35 VAL HG22 1 1
1 360 1 1 35 VAL HG23 H -1.164 13.454 3.993 1.00 . A A . 35 VAL HG23 1 1
1 361 1 1 35 VAL N N -4.412 12.164 2.321 1.00 . A A . 35 VAL N 1 1
1 362 1 1 35 VAL O O -4.031 14.781 0.377 1.00 . A A . 35 VAL O 1 1
1 363 1 1 36 GLY C C -7.739 14.266 -0.660 1.00 . A A . 36 GLY C 1 1
1 364 1 1 36 GLY CA C -6.718 15.186 0.013 1.00 . A A . 36 GLY CA 1 1
1 365 1 1 36 GLY H H -6.647 14.139 1.901 1.00 . A A . 36 GLY H 1 1
1 366 1 1 36 GLY HA2 H -7.218 16.079 0.358 1.00 . A A . 36 GLY HA2 1 1
1 367 1 1 36 GLY HA3 H -5.959 15.458 -0.703 1.00 . A A . 36 GLY HA3 1 1
1 368 1 1 36 GLY N N -6.087 14.494 1.179 1.00 . A A . 36 GLY N 1 1
1 369 1 1 36 GLY O O -8.181 14.526 -1.762 1.00 . A A . 36 GLY O 1 1
1 370 1 1 37 GLY C C -8.374 11.236 -1.458 1.00 . A A . 37 GLY C 1 1
1 371 1 1 37 GLY CA C -9.081 12.260 -0.568 1.00 . A A . 37 GLY CA 1 1
1 372 1 1 37 GLY H H -7.709 13.039 0.904 1.00 . A A . 37 GLY H 1 1
1 373 1 1 37 GLY HA2 H -9.597 11.746 0.230 1.00 . A A . 37 GLY HA2 1 1
1 374 1 1 37 GLY HA3 H -9.797 12.812 -1.158 1.00 . A A . 37 GLY HA3 1 1
1 375 1 1 37 GLY N N -8.091 13.208 0.018 1.00 . A A . 37 GLY N 1 1
1 376 1 1 37 GLY O O -8.940 10.749 -2.418 1.00 . A A . 37 GLY O 1 1
1 377 1 1 38 ARG C C -6.547 8.533 -1.344 1.00 . A A . 38 ARG C 1 1
1 378 1 1 38 ARG CA C -6.393 9.937 -1.938 1.00 . A A . 38 ARG CA 1 1
1 379 1 1 38 ARG CB C -4.915 10.326 -1.949 1.00 . A A . 38 ARG CB 1 1
1 380 1 1 38 ARG CD C -3.453 12.267 -2.506 1.00 . A A . 38 ARG CD 1 1
1 381 1 1 38 ARG CG C -4.711 11.496 -2.911 1.00 . A A . 38 ARG CG 1 1
1 382 1 1 38 ARG CZ C -1.313 11.529 -3.348 1.00 . A A . 38 ARG CZ 1 1
1 383 1 1 38 ARG H H -6.735 11.347 -0.338 1.00 . A A . 38 ARG H 1 1
1 384 1 1 38 ARG HA H -6.769 9.942 -2.946 1.00 . A A . 38 ARG HA 1 1
1 385 1 1 38 ARG HB2 H -4.609 10.616 -0.955 1.00 . A A . 38 ARG HB2 1 1
1 386 1 1 38 ARG HB3 H -4.320 9.483 -2.271 1.00 . A A . 38 ARG HB3 1 1
1 387 1 1 38 ARG HD2 H -3.269 13.067 -3.209 1.00 . A A . 38 ARG HD2 1 1
1 388 1 1 38 ARG HD3 H -3.579 12.681 -1.517 1.00 . A A . 38 ARG HD3 1 1
1 389 1 1 38 ARG HE H -2.264 10.578 -1.882 1.00 . A A . 38 ARG HE 1 1
1 390 1 1 38 ARG HG2 H -4.599 11.124 -3.919 1.00 . A A . 38 ARG HG2 1 1
1 391 1 1 38 ARG HG3 H -5.568 12.154 -2.871 1.00 . A A . 38 ARG HG3 1 1
1 392 1 1 38 ARG HH11 H -1.171 13.476 -2.905 1.00 . A A . 38 ARG HH11 1 1
1 393 1 1 38 ARG HH12 H -0.056 12.895 -4.097 1.00 . A A . 38 ARG HH12 1 1
1 394 1 1 38 ARG HH21 H -1.284 9.615 -3.936 1.00 . A A . 38 ARG HH21 1 1
1 395 1 1 38 ARG HH22 H -0.122 10.651 -4.696 1.00 . A A . 38 ARG HH22 1 1
1 396 1 1 38 ARG N N -7.151 10.929 -1.121 1.00 . A A . 38 ARG N 1 1
1 397 1 1 38 ARG NE N -2.292 11.333 -2.507 1.00 . A A . 38 ARG NE 1 1
1 398 1 1 38 ARG NH1 N -0.807 12.726 -3.458 1.00 . A A . 38 ARG NH1 1 1
1 399 1 1 38 ARG NH2 N -0.872 10.519 -4.048 1.00 . A A . 38 ARG NH2 1 1
1 400 1 1 38 ARG O O -6.923 8.379 -0.198 1.00 . A A . 38 ARG O 1 1
1 401 1 1 39 LEU C C -5.019 5.625 -1.152 1.00 . A A . 39 LEU C 1 1
1 402 1 1 39 LEU CA C -6.380 6.138 -1.636 1.00 . A A . 39 LEU CA 1 1
1 403 1 1 39 LEU CB C -6.887 5.247 -2.769 1.00 . A A . 39 LEU CB 1 1
1 404 1 1 39 LEU CD1 C -8.852 3.997 -1.877 1.00 . A A . 39 LEU CD1 1 1
1 405 1 1 39 LEU CD2 C -7.115 2.802 -3.210 1.00 . A A . 39 LEU CD2 1 1
1 406 1 1 39 LEU CG C -7.356 3.913 -2.185 1.00 . A A . 39 LEU CG 1 1
1 407 1 1 39 LEU H H -5.954 7.711 -3.055 1.00 . A A . 39 LEU H 1 1
1 408 1 1 39 LEU HA H -7.082 6.112 -0.822 1.00 . A A . 39 LEU HA 1 1
1 409 1 1 39 LEU HB2 H -7.710 5.732 -3.272 1.00 . A A . 39 LEU HB2 1 1
1 410 1 1 39 LEU HB3 H -6.091 5.073 -3.477 1.00 . A A . 39 LEU HB3 1 1
1 411 1 1 39 LEU HD11 H -9.069 4.926 -1.373 1.00 . A A . 39 LEU HD11 1 1
1 412 1 1 39 LEU HD12 H -9.417 3.951 -2.797 1.00 . A A . 39 LEU HD12 1 1
1 413 1 1 39 LEU HD13 H -9.140 3.172 -1.242 1.00 . A A . 39 LEU HD13 1 1
1 414 1 1 39 LEU HD21 H -7.601 3.053 -4.142 1.00 . A A . 39 LEU HD21 1 1
1 415 1 1 39 LEU HD22 H -6.054 2.690 -3.383 1.00 . A A . 39 LEU HD22 1 1
1 416 1 1 39 LEU HD23 H -7.515 1.871 -2.840 1.00 . A A . 39 LEU HD23 1 1
1 417 1 1 39 LEU HG H -6.809 3.698 -1.280 1.00 . A A . 39 LEU HG 1 1
1 418 1 1 39 LEU N N -6.254 7.539 -2.137 1.00 . A A . 39 LEU N 1 1
1 419 1 1 39 LEU O O -4.111 5.434 -1.937 1.00 . A A . 39 LEU O 1 1
1 420 1 1 40 THR C C -3.670 3.389 0.854 1.00 . A A . 40 THR C 1 1
1 421 1 1 40 THR CA C -3.617 4.911 0.685 1.00 . A A . 40 THR CA 1 1
1 422 1 1 40 THR CB C -3.367 5.567 2.046 1.00 . A A . 40 THR CB 1 1
1 423 1 1 40 THR CG2 C -3.665 7.064 2.010 1.00 . A A . 40 THR CG2 1 1
1 424 1 1 40 THR H H -5.670 5.581 0.726 1.00 . A A . 40 THR H 1 1
1 425 1 1 40 THR HA H -2.816 5.169 0.013 1.00 . A A . 40 THR HA 1 1
1 426 1 1 40 THR HB H -2.375 5.375 2.412 1.00 . A A . 40 THR HB 1 1
1 427 1 1 40 THR HG1 H -5.106 4.747 2.365 1.00 . A A . 40 THR HG1 1 1
1 428 1 1 40 THR HG21 H -3.053 7.540 1.259 1.00 . A A . 40 THR HG21 1 1
1 429 1 1 40 THR HG22 H -4.708 7.222 1.770 1.00 . A A . 40 THR HG22 1 1
1 430 1 1 40 THR HG23 H -3.452 7.502 2.973 1.00 . A A . 40 THR HG23 1 1
1 431 1 1 40 THR N N -4.910 5.413 0.130 1.00 . A A . 40 THR N 1 1
1 432 1 1 40 THR O O -4.539 2.733 0.316 1.00 . A A . 40 THR O 1 1
1 433 1 1 40 THR OG1 O -4.355 5.007 2.905 1.00 . A A . 40 THR OG1 1 1
1 434 1 1 41 ARG C C -3.450 1.026 3.109 1.00 . A A . 41 ARG C 1 1
1 435 1 1 41 ARG CA C -2.718 1.384 1.811 1.00 . A A . 41 ARG CA 1 1
1 436 1 1 41 ARG CB C -1.268 0.911 1.899 1.00 . A A . 41 ARG CB 1 1
1 437 1 1 41 ARG CD C 0.234 -1.073 1.748 1.00 . A A . 41 ARG CD 1 1
1 438 1 1 41 ARG CG C -1.223 -0.608 1.718 1.00 . A A . 41 ARG CG 1 1
1 439 1 1 41 ARG CZ C 1.130 -2.913 3.029 1.00 . A A . 41 ARG CZ 1 1
1 440 1 1 41 ARG H H -2.055 3.430 2.013 1.00 . A A . 41 ARG H 1 1
1 441 1 1 41 ARG HA H -3.201 0.897 0.982 1.00 . A A . 41 ARG HA 1 1
1 442 1 1 41 ARG HB2 H -0.684 1.386 1.124 1.00 . A A . 41 ARG HB2 1 1
1 443 1 1 41 ARG HB3 H -0.858 1.174 2.863 1.00 . A A . 41 ARG HB3 1 1
1 444 1 1 41 ARG HD2 H 0.679 -0.948 0.771 1.00 . A A . 41 ARG HD2 1 1
1 445 1 1 41 ARG HD3 H 0.790 -0.496 2.471 1.00 . A A . 41 ARG HD3 1 1
1 446 1 1 41 ARG HE H -0.335 -3.154 1.706 1.00 . A A . 41 ARG HE 1 1
1 447 1 1 41 ARG HG2 H -1.772 -1.084 2.517 1.00 . A A . 41 ARG HG2 1 1
1 448 1 1 41 ARG HG3 H -1.670 -0.874 0.772 1.00 . A A . 41 ARG HG3 1 1
1 449 1 1 41 ARG HH11 H 2.505 -1.562 2.488 1.00 . A A . 41 ARG HH11 1 1
1 450 1 1 41 ARG HH12 H 2.955 -2.607 3.795 1.00 . A A . 41 ARG HH12 1 1
1 451 1 1 41 ARG HH21 H -0.096 -4.334 3.727 1.00 . A A . 41 ARG HH21 1 1
1 452 1 1 41 ARG HH22 H 1.443 -4.217 4.515 1.00 . A A . 41 ARG HH22 1 1
1 453 1 1 41 ARG N N -2.737 2.861 1.598 1.00 . A A . 41 ARG N 1 1
1 454 1 1 41 ARG NE N 0.274 -2.513 2.128 1.00 . A A . 41 ARG NE 1 1
1 455 1 1 41 ARG NH1 N 2.287 -2.313 3.110 1.00 . A A . 41 ARG NH1 1 1
1 456 1 1 41 ARG NH2 N 0.800 -3.898 3.819 1.00 . A A . 41 ARG NH2 1 1
1 457 1 1 41 ARG O O -3.966 -0.064 3.253 1.00 . A A . 41 ARG O 1 1
1 458 1 1 42 GLU C C -5.695 1.694 5.117 1.00 . A A . 42 GLU C 1 1
1 459 1 1 42 GLU CA C -4.176 1.685 5.319 1.00 . A A . 42 GLU CA 1 1
1 460 1 1 42 GLU CB C -3.791 2.765 6.327 1.00 . A A . 42 GLU CB 1 1
1 461 1 1 42 GLU CD C -2.054 3.484 7.971 1.00 . A A . 42 GLU CD 1 1
1 462 1 1 42 GLU CG C -2.470 2.379 6.996 1.00 . A A . 42 GLU CG 1 1
1 463 1 1 42 GLU H H -3.052 2.822 3.867 1.00 . A A . 42 GLU H 1 1
1 464 1 1 42 GLU HA H -3.871 0.724 5.694 1.00 . A A . 42 GLU HA 1 1
1 465 1 1 42 GLU HB2 H -3.679 3.712 5.820 1.00 . A A . 42 GLU HB2 1 1
1 466 1 1 42 GLU HB3 H -4.564 2.855 7.077 1.00 . A A . 42 GLU HB3 1 1
1 467 1 1 42 GLU HG2 H -2.590 1.453 7.536 1.00 . A A . 42 GLU HG2 1 1
1 468 1 1 42 GLU HG3 H -1.702 2.259 6.246 1.00 . A A . 42 GLU HG3 1 1
1 469 1 1 42 GLU N N -3.482 1.955 4.026 1.00 . A A . 42 GLU N 1 1
1 470 1 1 42 GLU O O -6.448 1.471 6.044 1.00 . A A . 42 GLU O 1 1
1 471 1 1 42 GLU OE1 O -2.930 4.259 8.315 1.00 . A A . 42 GLU OE1 1 1
1 472 1 1 42 GLU OE2 O -0.885 3.489 8.316 1.00 . A A . 42 GLU OE2 1 1
1 473 1 1 43 ASP C C -8.026 0.641 3.018 1.00 . A A . 43 ASP C 1 1
1 474 1 1 43 ASP CA C -7.577 1.977 3.622 1.00 . A A . 43 ASP CA 1 1
1 475 1 1 43 ASP CB C -7.872 3.106 2.636 1.00 . A A . 43 ASP CB 1 1
1 476 1 1 43 ASP CG C -7.773 4.449 3.361 1.00 . A A . 43 ASP CG 1 1
1 477 1 1 43 ASP H H -5.466 2.120 3.188 1.00 . A A . 43 ASP H 1 1
1 478 1 1 43 ASP HA H -8.116 2.154 4.537 1.00 . A A . 43 ASP HA 1 1
1 479 1 1 43 ASP HB2 H -7.156 3.084 1.828 1.00 . A A . 43 ASP HB2 1 1
1 480 1 1 43 ASP HB3 H -8.868 2.990 2.234 1.00 . A A . 43 ASP HB3 1 1
1 481 1 1 43 ASP N N -6.111 1.948 3.906 1.00 . A A . 43 ASP N 1 1
1 482 1 1 43 ASP O O -8.956 0.022 3.496 1.00 . A A . 43 ASP O 1 1
1 483 1 1 43 ASP OD1 O -8.781 4.830 3.935 1.00 . A A . 43 ASP OD1 1 1
1 484 1 1 43 ASP OD2 O -6.697 5.019 3.301 1.00 . A A . 43 ASP OD2 1 1
1 485 1 1 44 VAL C C -7.381 -2.242 2.249 1.00 . A A . 44 VAL C 1 1
1 486 1 1 44 VAL CA C -7.729 -1.065 1.331 1.00 . A A . 44 VAL CA 1 1
1 487 1 1 44 VAL CB C -6.965 -1.203 0.014 1.00 . A A . 44 VAL CB 1 1
1 488 1 1 44 VAL CG1 C -7.366 -2.512 -0.667 1.00 . A A . 44 VAL CG1 1 1
1 489 1 1 44 VAL CG2 C -7.320 -0.030 -0.899 1.00 . A A . 44 VAL CG2 1 1
1 490 1 1 44 VAL H H -6.611 0.759 1.627 1.00 . A A . 44 VAL H 1 1
1 491 1 1 44 VAL HA H -8.786 -1.070 1.129 1.00 . A A . 44 VAL HA 1 1
1 492 1 1 44 VAL HB H -5.902 -1.204 0.209 1.00 . A A . 44 VAL HB 1 1
1 493 1 1 44 VAL HG11 H -8.443 -2.572 -0.737 1.00 . A A . 44 VAL HG11 1 1
1 494 1 1 44 VAL HG12 H -6.943 -2.550 -1.661 1.00 . A A . 44 VAL HG12 1 1
1 495 1 1 44 VAL HG13 H -7.000 -3.350 -0.092 1.00 . A A . 44 VAL HG13 1 1
1 496 1 1 44 VAL HG21 H -8.394 0.069 -0.966 1.00 . A A . 44 VAL HG21 1 1
1 497 1 1 44 VAL HG22 H -6.904 0.884 -0.500 1.00 . A A . 44 VAL HG22 1 1
1 498 1 1 44 VAL HG23 H -6.917 -0.201 -1.887 1.00 . A A . 44 VAL HG23 1 1
1 499 1 1 44 VAL N N -7.355 0.227 1.978 1.00 . A A . 44 VAL N 1 1
1 500 1 1 44 VAL O O -8.061 -3.248 2.257 1.00 . A A . 44 VAL O 1 1
1 501 1 1 45 GLU C C -7.088 -3.574 4.841 1.00 . A A . 45 GLU C 1 1
1 502 1 1 45 GLU CA C -5.920 -3.191 3.926 1.00 . A A . 45 GLU CA 1 1
1 503 1 1 45 GLU CB C -4.739 -2.722 4.773 1.00 . A A . 45 GLU CB 1 1
1 504 1 1 45 GLU CD C -3.287 -3.448 6.670 1.00 . A A . 45 GLU CD 1 1
1 505 1 1 45 GLU CG C -4.113 -3.930 5.474 1.00 . A A . 45 GLU CG 1 1
1 506 1 1 45 GLU H H -5.808 -1.259 2.967 1.00 . A A . 45 GLU H 1 1
1 507 1 1 45 GLU HA H -5.624 -4.049 3.346 1.00 . A A . 45 GLU HA 1 1
1 508 1 1 45 GLU HB2 H -4.003 -2.250 4.140 1.00 . A A . 45 GLU HB2 1 1
1 509 1 1 45 GLU HB3 H -5.080 -2.012 5.511 1.00 . A A . 45 GLU HB3 1 1
1 510 1 1 45 GLU HG2 H -4.889 -4.594 5.822 1.00 . A A . 45 GLU HG2 1 1
1 511 1 1 45 GLU HG3 H -3.470 -4.460 4.787 1.00 . A A . 45 GLU HG3 1 1
1 512 1 1 45 GLU N N -6.327 -2.089 3.004 1.00 . A A . 45 GLU N 1 1
1 513 1 1 45 GLU O O -7.493 -4.718 4.889 1.00 . A A . 45 GLU O 1 1
1 514 1 1 45 GLU OE1 O -2.913 -2.287 6.635 1.00 . A A . 45 GLU OE1 1 1
1 515 1 1 45 GLU OE2 O -3.077 -4.267 7.549 1.00 . A A . 45 GLU OE2 1 1
1 516 1 1 46 LYS C C -9.813 -3.722 5.742 1.00 . A A . 46 LYS C 1 1
1 517 1 1 46 LYS CA C -8.745 -2.898 6.467 1.00 . A A . 46 LYS CA 1 1
1 518 1 1 46 LYS CB C -9.353 -1.580 6.942 1.00 . A A . 46 LYS CB 1 1
1 519 1 1 46 LYS CD C -9.361 0.099 8.784 1.00 . A A . 46 LYS CD 1 1
1 520 1 1 46 LYS CE C -10.190 -0.045 10.062 1.00 . A A . 46 LYS CE 1 1
1 521 1 1 46 LYS CG C -8.855 -1.280 8.357 1.00 . A A . 46 LYS CG 1 1
1 522 1 1 46 LYS H H -7.246 -1.697 5.478 1.00 . A A . 46 LYS H 1 1
1 523 1 1 46 LYS HA H -8.385 -3.450 7.318 1.00 . A A . 46 LYS HA 1 1
1 524 1 1 46 LYS HB2 H -9.057 -0.783 6.277 1.00 . A A . 46 LYS HB2 1 1
1 525 1 1 46 LYS HB3 H -10.429 -1.658 6.945 1.00 . A A . 46 LYS HB3 1 1
1 526 1 1 46 LYS HD2 H -8.520 0.752 8.969 1.00 . A A . 46 LYS HD2 1 1
1 527 1 1 46 LYS HD3 H -9.971 0.521 8.001 1.00 . A A . 46 LYS HD3 1 1
1 528 1 1 46 LYS HE2 H -10.609 0.914 10.330 1.00 . A A . 46 LYS HE2 1 1
1 529 1 1 46 LYS HE3 H -10.993 -0.747 9.896 1.00 . A A . 46 LYS HE3 1 1
1 530 1 1 46 LYS HG2 H -9.225 -2.031 9.039 1.00 . A A . 46 LYS HG2 1 1
1 531 1 1 46 LYS HG3 H -7.775 -1.291 8.371 1.00 . A A . 46 LYS HG3 1 1
1 532 1 1 46 LYS HZ1 H -8.823 -1.384 10.881 1.00 . A A . 46 LYS HZ1 1 1
1 533 1 1 46 LYS HZ2 H -8.661 0.207 11.453 1.00 . A A . 46 LYS HZ2 1 1
1 534 1 1 46 LYS HZ3 H -9.941 -0.765 11.999 1.00 . A A . 46 LYS HZ3 1 1
1 535 1 1 46 LYS N N -7.604 -2.606 5.549 1.00 . A A . 46 LYS N 1 1
1 536 1 1 46 LYS NZ N -9.339 -0.534 11.183 1.00 . A A . 46 LYS NZ 1 1
1 537 1 1 46 LYS O O -10.489 -4.533 6.343 1.00 . A A . 46 LYS O 1 1
1 538 1 1 47 HIS C C -10.502 -5.702 3.486 1.00 . A A . 47 HIS C 1 1
1 539 1 1 47 HIS CA C -10.964 -4.257 3.686 1.00 . A A . 47 HIS CA 1 1
1 540 1 1 47 HIS CB C -11.153 -3.592 2.325 1.00 . A A . 47 HIS CB 1 1
1 541 1 1 47 HIS CD2 C -12.793 -4.902 0.725 1.00 . A A . 47 HIS CD2 1 1
1 542 1 1 47 HIS CE1 C -14.569 -4.090 1.458 1.00 . A A . 47 HIS CE1 1 1
1 543 1 1 47 HIS CG C -12.505 -4.009 1.742 1.00 . A A . 47 HIS CG 1 1
1 544 1 1 47 HIS H H -9.376 -2.830 4.019 1.00 . A A . 47 HIS H 1 1
1 545 1 1 47 HIS HA H -11.899 -4.250 4.219 1.00 . A A . 47 HIS HA 1 1
1 546 1 1 47 HIS HB2 H -11.128 -2.518 2.435 1.00 . A A . 47 HIS HB2 1 1
1 547 1 1 47 HIS HB3 H -10.365 -3.900 1.653 1.00 . A A . 47 HIS HB3 1 1
1 548 1 1 47 HIS HD1 H -13.737 -2.915 2.839 1.00 . A A . 47 HIS HD1 1 1
1 549 1 1 47 HIS HD2 H -12.063 -5.468 0.166 1.00 . A A . 47 HIS HD2 1 1
1 550 1 1 47 HIS HE1 H -15.612 -3.857 1.617 1.00 . A A . 47 HIS HE1 1 1
1 551 1 1 47 HIS N N -9.943 -3.494 4.463 1.00 . A A . 47 HIS N 1 1
1 552 1 1 47 HIS ND1 N -13.617 -3.571 2.122 1.00 . A A . 47 HIS ND1 1 1
1 553 1 1 47 HIS NE2 N -14.136 -4.953 0.541 1.00 . A A . 47 HIS NE2 1 1
1 554 1 1 47 HIS O O -11.292 -6.624 3.550 1.00 . A A . 47 HIS O 1 1
1 555 1 1 48 LEU C C -8.801 -8.058 4.337 1.00 . A A . 48 LEU C 1 1
1 556 1 1 48 LEU CA C -8.699 -7.248 3.041 1.00 . A A . 48 LEU CA 1 1
1 557 1 1 48 LEU CB C -7.237 -7.161 2.609 1.00 . A A . 48 LEU CB 1 1
1 558 1 1 48 LEU CD1 C -5.885 -6.290 0.703 1.00 . A A . 48 LEU CD1 1 1
1 559 1 1 48 LEU CD2 C -7.171 -8.412 0.451 1.00 . A A . 48 LEU CD2 1 1
1 560 1 1 48 LEU CG C -7.172 -7.020 1.086 1.00 . A A . 48 LEU CG 1 1
1 561 1 1 48 LEU H H -8.629 -5.097 3.207 1.00 . A A . 48 LEU H 1 1
1 562 1 1 48 LEU HA H -9.269 -7.737 2.270 1.00 . A A . 48 LEU HA 1 1
1 563 1 1 48 LEU HB2 H -6.771 -6.305 3.074 1.00 . A A . 48 LEU HB2 1 1
1 564 1 1 48 LEU HB3 H -6.715 -8.056 2.912 1.00 . A A . 48 LEU HB3 1 1
1 565 1 1 48 LEU HD11 H -5.033 -6.823 1.098 1.00 . A A . 48 LEU HD11 1 1
1 566 1 1 48 LEU HD12 H -5.804 -6.236 -0.373 1.00 . A A . 48 LEU HD12 1 1
1 567 1 1 48 LEU HD13 H -5.898 -5.290 1.110 1.00 . A A . 48 LEU HD13 1 1
1 568 1 1 48 LEU HD21 H -7.795 -9.076 1.028 1.00 . A A . 48 LEU HD21 1 1
1 569 1 1 48 LEU HD22 H -7.553 -8.352 -0.558 1.00 . A A . 48 LEU HD22 1 1
1 570 1 1 48 LEU HD23 H -6.164 -8.800 0.426 1.00 . A A . 48 LEU HD23 1 1
1 571 1 1 48 LEU HG H -8.027 -6.460 0.736 1.00 . A A . 48 LEU HG 1 1
1 572 1 1 48 LEU N N -9.230 -5.870 3.249 1.00 . A A . 48 LEU N 1 1
1 573 1 1 48 LEU O O -8.327 -9.174 4.413 1.00 . A A . 48 LEU O 1 1
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