NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | program | type | subtype | item_count |
|
|
373449 |
1du1   |
4631 | cing | recoord | dress | 4-filtered-FRED | STAR | entry | full | 203 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1du1
# This FRED archive file contains, for PDB entry <1du1>:
#
# - 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_1du1
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1du1
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 2337.75
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 $SKELETAL_DIHYDROPYRIDINE_RECEPTOR A . 1 1
stop_
save_
save_SKELETAL_DIHYDROPYRIDINE_RECEPTOR
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "SKELETAL DIHYDROPYRIDINE RECEPTOR"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code TSAQKAKAEERKRRKMSRGL
_Entity.Number_of_monomers 20
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 THR . 1 1
2 SER . 1 1
3 ALA . 1 1
4 GLN . 1 1
5 LYS . 1 1
6 ALA . 1 1
7 LYS . 1 1
8 ALA . 1 1
9 GLU . 1 1
10 GLU . 1 1
11 ARG . 1 1
12 LYS . 1 1
13 ARG . 1 1
14 ARG . 1 1
15 LYS . 1 1
16 MET . 1 1
17 SER . 1 1
18 ARG . 1 1
19 GLY . 1 1
20 LEU . 1 1
stop_
loop_
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
THR 1 1 1 1
SER 2 2 1 1
ALA 3 3 1 1
GLN 4 4 1 1
LYS 5 5 1 1
ALA 6 6 1 1
LYS 7 7 1 1
ALA 8 8 1 1
GLU 9 9 1 1
GLU 10 10 1 1
ARG 11 11 1 1
LYS 12 12 1 1
ARG 13 13 1 1
ARG 14 14 1 1
LYS 15 15 1 1
MET 16 16 1 1
SER 17 17 1 1
ARG 18 18 1 1
GLY 19 19 1 1
LEU 20 20 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
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182 1 . . . 1 1
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185 1 . . . 1 1
186 1 . . . 1 1
187 1 . . . 1 1
188 1 . . . 1 1
189 1 . . . 1 1
190 1 . . . 1 1
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192 1 . . . 1 1
193 1 . . . 1 1
194 1 . . . 1 1
195 1 . . . 1 1
196 1 . . . 1 1
197 1 . . . 1 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 1 THR H1 . 1 . HT# 1 1
1 1 2 1 1 2 SER H . 2 . HN 1 1
2 1 1 1 1 1 THR H1 . 1 . HT# 1 1
2 1 2 1 1 1 THR HA . 1 . HA 1 1
3 1 1 1 1 1 THR H1 . 1 . HT# 1 1
3 1 2 1 1 1 THR MG . 1 . HG2# 1 1
4 1 1 1 1 1 THR H1 . 1 . HT# 1 1
4 1 2 1 1 1 THR HB . 1 . HB 1 1
5 1 1 1 1 1 THR H1 . 1 . HT# 1 1
5 1 2 1 1 4 GLN QB . 4 . HB# 1 1
6 1 1 1 1 1 THR H1 . 1 . HT# 1 1
6 1 2 1 1 4 GLN QG . 4 . HG# 1 1
7 1 1 1 1 1 THR HA . 1 . HA 1 1
7 1 2 1 1 1 THR HB . 1 . HB 1 1
8 1 1 1 1 1 THR HA . 1 . HA 1 1
8 1 2 1 1 1 THR MG . 1 . HG2# 1 1
9 1 1 1 1 1 THR HA . 1 . HA 1 1
9 1 2 1 1 4 GLN QB . 4 . HB# 1 1
10 1 1 1 1 1 THR HB . 1 . HB 1 1
10 1 2 1 1 1 THR MG . 1 . HG2# 1 1
11 1 1 1 1 1 THR MG . 1 . HG2# 1 1
11 1 2 1 1 4 GLN QE . 4 . HE2# 1 1
12 1 1 1 1 2 SER H . 2 . HN 1 1
12 1 2 1 1 3 ALA H . 3 . HN 1 1
13 1 1 1 1 2 SER H . 2 . HN 1 1
13 1 2 1 1 4 GLN H . 4 . HN 1 1
14 1 1 1 1 2 SER H . 2 . HN 1 1
14 1 2 1 1 2 SER HA . 2 . HA 1 1
15 1 1 1 1 2 SER H . 2 . HN 1 1
15 1 2 1 1 2 SER QB . 2 . HB# 1 1
16 1 1 1 1 1 THR HB . 1 . HB 1 1
16 1 2 1 1 2 SER H . 2 . HN 1 1
17 1 1 1 1 1 THR HA . 1 . HA 1 1
17 1 2 1 1 2 SER H . 2 . HN 1 1
18 1 1 1 1 2 SER H . 2 . HN 1 1
18 1 2 1 1 3 ALA MB . 3 . HB# 1 1
19 1 1 1 1 1 THR MG . 1 . HG2# 1 1
19 1 2 1 1 2 SER H . 2 . HN 1 1
20 1 1 1 1 2 SER H . 2 . HN 1 1
20 1 2 1 1 5 LYS QB . 5 . HB# 1 1
21 1 1 1 1 2 SER HA . 2 . HA 1 1
21 1 2 1 1 2 SER QB . 2 . HB# 1 1
22 1 1 1 1 2 SER HA . 2 . HA 1 1
22 1 2 1 1 5 LYS QB . 5 . HB# 1 1
23 1 1 1 1 2 SER QB . 2 . HB# 1 1
23 1 2 1 1 3 ALA H . 3 . HN 1 1
24 1 1 1 1 3 ALA H . 3 . HN 1 1
24 1 2 1 1 4 GLN H . 4 . HN 1 1
25 1 1 1 1 3 ALA H . 3 . HN 1 1
25 1 2 1 1 5 LYS H . 5 . HN 1 1
26 1 1 1 1 3 ALA H . 3 . HN 1 1
26 1 2 1 1 3 ALA HA . 3 . HA 1 1
27 1 1 1 1 3 ALA H . 3 . HN 1 1
27 1 2 1 1 3 ALA MB . 3 . HB# 1 1
28 1 1 1 1 1 THR MG . 1 . HG2# 1 1
28 1 2 1 1 3 ALA H . 3 . HN 1 1
29 1 1 1 1 3 ALA HA . 3 . HA 1 1
29 1 2 1 1 4 GLN H . 4 . HN 1 1
30 1 1 1 1 3 ALA HA . 3 . HA 1 1
30 1 2 1 1 6 ALA H . 6 . HN 1 1
31 1 1 1 1 3 ALA HA . 3 . HA 1 1
31 1 2 1 1 3 ALA MB . 3 . HB# 1 1
32 1 1 1 1 3 ALA HA . 3 . HA 1 1
32 1 2 1 1 6 ALA MB . 6 . HB# 1 1
33 1 1 1 1 4 GLN H . 4 . HN 1 1
33 1 2 1 1 5 LYS H . 5 . HN 1 1
34 1 1 1 1 4 GLN H . 4 . HN 1 1
34 1 2 1 1 6 ALA H . 6 . HN 1 1
35 1 1 1 1 4 GLN H . 4 . HN 1 1
35 1 2 1 1 4 GLN HA . 4 . HA 1 1
36 1 1 1 1 4 GLN H . 4 . HN 1 1
36 1 2 1 1 4 GLN QB . 4 . HB# 1 1
37 1 1 1 1 4 GLN H . 4 . HN 1 1
37 1 2 1 1 4 GLN QG . 4 . HG# 1 1
38 1 1 1 1 2 SER QB . 2 . HB# 1 1
38 1 2 1 1 4 GLN H . 4 . HN 1 1
39 1 1 1 1 1 THR HB . 1 . HB 1 1
39 1 2 1 1 4 GLN H . 4 . HN 1 1
40 1 1 1 1 1 THR HA . 1 . HA 1 1
40 1 2 1 1 4 GLN H . 4 . HN 1 1
41 1 1 1 1 3 ALA MB . 3 . HB# 1 1
41 1 2 1 1 4 GLN H . 4 . HN 1 1
42 1 1 1 1 1 THR MG . 1 . HG2# 1 1
42 1 2 1 1 4 GLN H . 4 . HN 1 1
43 1 1 1 1 4 GLN HA . 4 . HA 1 1
43 1 2 1 1 5 LYS H . 5 . HN 1 1
44 1 1 1 1 4 GLN HA . 4 . HA 1 1
44 1 2 1 1 4 GLN QG . 4 . HG# 1 1
45 1 1 1 1 4 GLN QG . 4 . HG# 1 1
45 1 2 1 1 5 LYS H . 5 . HN 1 1
46 1 1 1 1 1 THR MG . 1 . HG2# 1 1
46 1 2 1 1 4 GLN QG . 4 . HG# 1 1
47 1 1 1 1 4 GLN QB . 4 . HB# 1 1
47 1 2 1 1 4 GLN QE . 4 . HE2# 1 1
48 1 1 1 1 3 ALA MB . 3 . HB# 1 1
48 1 2 1 1 4 GLN QG . 4 . HG# 1 1
49 1 1 1 1 4 GLN QG . 4 . HG# 1 1
49 1 2 1 1 7 LYS QB . 7 . HB# 1 1
50 1 1 1 1 4 GLN QG . 4 . HG# 1 1
50 1 2 1 1 7 LYS QG . 7 . HG# 1 1
51 1 1 1 1 4 GLN HA . 4 . HA 1 1
51 1 2 1 1 7 LYS QB . 7 . HB# 1 1
52 1 1 1 1 5 LYS H . 5 . HN 1 1
52 1 2 1 1 6 ALA H . 6 . HN 1 1
53 1 1 1 1 5 LYS H . 5 . HN 1 1
53 1 2 1 1 7 LYS H . 7 . HN 1 1
54 1 1 1 1 5 LYS H . 5 . HN 1 1
54 1 2 1 1 5 LYS HA . 5 . HA 1 1
55 1 1 1 1 4 GLN QB . 4 . HB# 1 1
55 1 2 1 1 5 LYS H . 5 . HN 1 1
56 1 1 1 1 5 LYS H . 5 . HN 1 1
56 1 2 1 1 5 LYS QB . 5 . HB# 1 1
57 1 1 1 1 5 LYS H . 5 . HN 1 1
57 1 2 1 1 5 LYS QD . 5 . HD# 1 1
58 1 1 1 1 2 SER HA . 2 . HA 1 1
58 1 2 1 1 5 LYS H . 5 . HN 1 1
59 1 1 1 1 5 LYS HA . 5 . HA 1 1
59 1 2 1 1 6 ALA H . 6 . HN 1 1
60 1 1 1 1 5 LYS HA . 5 . HA 1 1
60 1 2 1 1 5 LYS QE . 5 . HE# 1 1
61 1 1 1 1 5 LYS HA . 5 . HA 1 1
61 1 2 1 1 8 ALA MB . 8 . HB# 1 1
62 1 1 1 1 5 LYS H . 5 . HN 1 1
62 1 2 1 1 5 LYS QG . 5 . HG# 1 1
63 1 1 1 1 5 LYS HA . 5 . HA 1 1
63 1 2 1 1 5 LYS QG . 5 . HG# 1 1
64 1 1 1 1 5 LYS QB . 5 . HB# 1 1
64 1 2 1 1 5 LYS QG . 5 . HG# 1 1
65 1 1 1 1 5 LYS QD . 5 . HD# 1 1
65 1 2 1 1 5 LYS QG . 5 . HG# 1 1
66 1 1 1 1 6 ALA H . 6 . HN 1 1
66 1 2 1 1 7 LYS H . 7 . HN 1 1
67 1 1 1 1 6 ALA H . 6 . HN 1 1
67 1 2 1 1 8 ALA H . 8 . HN 1 1
68 1 1 1 1 6 ALA H . 6 . HN 1 1
68 1 2 1 1 6 ALA MB . 6 . HB# 1 1
69 1 1 1 1 6 ALA H . 6 . HN 1 1
69 1 2 1 1 6 ALA HA . 6 . HA 1 1
70 1 1 1 1 2 SER HA . 2 . HA 1 1
70 1 2 1 1 6 ALA H . 6 . HN 1 1
71 1 1 1 1 6 ALA HA . 6 . HA 1 1
71 1 2 1 1 9 GLU QB . 9 . HB# 1 1
72 1 1 1 1 7 LYS H . 7 . HN 1 1
72 1 2 1 1 8 ALA H . 8 . HN 1 1
73 1 1 1 1 7 LYS H . 7 . HN 1 1
73 1 2 1 1 9 GLU H . 9 . HN 1 1
74 1 1 1 1 7 LYS H . 7 . HN 1 1
74 1 2 1 1 7 LYS HA . 7 . HA 1 1
75 1 1 1 1 6 ALA HA . 6 . HA 1 1
75 1 2 1 1 7 LYS H . 7 . HN 1 1
76 1 1 1 1 7 LYS H . 7 . HN 1 1
76 1 2 1 1 7 LYS QB . 7 . HB# 1 1
77 1 1 1 1 4 GLN HA . 4 . HA 1 1
77 1 2 1 1 7 LYS H . 7 . HN 1 1
78 1 1 1 1 7 LYS H . 7 . HN 1 1
78 1 2 1 1 7 LYS QD . 7 . HD# 1 1
79 1 1 1 1 7 LYS H . 7 . HN 1 1
79 1 2 1 1 7 LYS QG . 7 . HG# 1 1
80 1 1 1 1 7 LYS HA . 7 . HA 1 1
80 1 2 1 1 10 GLU H . 10 . HN 1 1
81 1 1 1 1 7 LYS HA . 7 . HA 1 1
81 1 2 1 1 8 ALA H . 8 . HN 1 1
82 1 1 1 1 7 LYS HA . 7 . HA 1 1
82 1 2 1 1 7 LYS QE . 7 . HE# 1 1
83 1 1 1 1 7 LYS HA . 7 . HA 1 1
83 1 2 1 1 7 LYS QB . 7 . HB# 1 1
84 1 1 1 1 7 LYS HA . 7 . HA 1 1
84 1 2 1 1 7 LYS QD . 7 . HD# 1 1
85 1 1 1 1 7 LYS HA . 7 . HA 1 1
85 1 2 1 1 7 LYS QG . 7 . HG# 1 1
86 1 1 1 1 7 LYS HA . 7 . HA 1 1
86 1 2 1 1 10 GLU QB . 10 . HB# 1 1
87 1 1 1 1 8 ALA H . 8 . HN 1 1
87 1 2 1 1 9 GLU H . 9 . HN 1 1
88 1 1 1 1 8 ALA H . 8 . HN 1 1
88 1 2 1 1 10 GLU H . 10 . HN 1 1
89 1 1 1 1 8 ALA H . 8 . HN 1 1
89 1 2 1 1 8 ALA HA . 8 . HA 1 1
90 1 1 1 1 8 ALA H . 8 . HN 1 1
90 1 2 1 1 9 GLU QG . 9 . HG# 1 1
91 1 1 1 1 8 ALA HA . 8 . HA 1 1
91 1 2 1 1 9 GLU H . 9 . HN 1 1
92 1 1 1 1 8 ALA HA . 8 . HA 1 1
92 1 2 1 1 11 ARG QB . 11 . HB# 1 1
93 1 1 1 1 8 ALA HA . 8 . HA 1 1
93 1 2 1 1 8 ALA MB . 8 . HB# 1 1
94 1 1 1 1 8 ALA H . 8 . HN 1 1
94 1 2 1 1 8 ALA MB . 8 . HB# 1 1
95 1 1 1 1 9 GLU H . 9 . HN 1 1
95 1 2 1 1 10 GLU H . 10 . HN 1 1
96 1 1 1 1 9 GLU H . 9 . HN 1 1
96 1 2 1 1 11 ARG H . 11 . HN 1 1
97 1 1 1 1 9 GLU H . 9 . HN 1 1
97 1 2 1 1 9 GLU HA . 9 . HA 1 1
98 1 1 1 1 9 GLU H . 9 . HN 1 1
98 1 2 1 1 9 GLU QG . 9 . HG# 1 1
99 1 1 1 1 6 ALA HA . 6 . HA 1 1
99 1 2 1 1 9 GLU H . 9 . HN 1 1
100 1 1 1 1 9 GLU HA . 9 . HA 1 1
100 1 2 1 1 10 GLU H . 10 . HN 1 1
101 1 1 1 1 9 GLU HA . 9 . HA 1 1
101 1 2 1 1 9 GLU QG . 9 . HG# 1 1
102 1 1 1 1 9 GLU H . 9 . HN 1 1
102 1 2 1 1 9 GLU QB . 9 . HB# 1 1
103 1 1 1 1 9 GLU QB . 9 . HB# 1 1
103 1 2 1 1 10 GLU H . 10 . HN 1 1
104 1 1 1 1 5 LYS QD . 5 . HD# 1 1
104 1 2 1 1 9 GLU QB . 9 . HB# 1 1
105 1 1 1 1 5 LYS QB . 5 . HB# 1 1
105 1 2 1 1 9 GLU QG . 9 . HG# 1 1
106 1 1 1 1 5 LYS QG . 5 . HG# 1 1
106 1 2 1 1 9 GLU QG . 9 . HG# 1 1
107 1 1 1 1 9 GLU QG . 9 . HG# 1 1
107 1 2 1 1 10 GLU H . 10 . HN 1 1
108 1 1 1 1 9 GLU QG . 9 . HG# 1 1
108 1 2 1 1 12 LYS QB . 12 . HB# 1 1
109 1 1 1 1 10 GLU H . 10 . HN 1 1
109 1 2 1 1 11 ARG H . 11 . HN 1 1
110 1 1 1 1 10 GLU H . 10 . HN 1 1
110 1 2 1 1 10 GLU HA . 10 . HA 1 1
111 1 1 1 1 10 GLU H . 10 . HN 1 1
111 1 2 1 1 10 GLU QG . 10 . HG# 1 1
112 1 1 1 1 10 GLU HA . 10 . HA 1 1
112 1 2 1 1 11 ARG H . 11 . HN 1 1
113 1 1 1 1 10 GLU HA . 10 . HA 1 1
113 1 2 1 1 10 GLU QG . 10 . HG# 1 1
114 1 1 1 1 10 GLU HA . 10 . HA 1 1
114 1 2 1 1 13 ARG QB . 13 . HB# 1 1
115 1 1 1 1 10 GLU QB . 10 . HB# 1 1
115 1 2 1 1 14 ARG QB . 14 . HB# 1 1
116 1 1 1 1 11 ARG H . 11 . HN 1 1
116 1 2 1 1 12 LYS H . 12 . HN 1 1
117 1 1 1 1 11 ARG H . 11 . HN 1 1
117 1 2 1 1 11 ARG HA . 11 . HA 1 1
118 1 1 1 1 11 ARG H . 11 . HN 1 1
118 1 2 1 1 11 ARG QB . 11 . HB# 1 1
119 1 1 1 1 11 ARG H . 11 . HN 1 1
119 1 2 1 1 11 ARG QG . 11 . HG# 1 1
120 1 1 1 1 11 ARG H . 11 . HN 1 1
120 1 2 1 1 12 LYS QD . 12 . HD# 1 1
121 1 1 1 1 11 ARG H . 11 . HN 1 1
121 1 2 1 1 12 LYS QG . 12 . HG# 1 1
122 1 1 1 1 11 ARG H . 11 . HN 1 1
122 1 2 1 1 11 ARG QD . 11 . HD# 1 1
123 1 1 1 1 11 ARG HA . 11 . HA 1 1
123 1 2 1 1 12 LYS H . 12 . HN 1 1
124 1 1 1 1 11 ARG HA . 11 . HA 1 1
124 1 2 1 1 11 ARG QD . 11 . HD# 1 1
125 1 1 1 1 11 ARG HA . 11 . HA 1 1
125 1 2 1 1 11 ARG QB . 11 . HB# 1 1
126 1 1 1 1 11 ARG HA . 11 . HA 1 1
126 1 2 1 1 12 LYS QD . 12 . HD# 1 1
127 1 1 1 1 7 LYS HA . 7 . HA 1 1
127 1 1 1 1 8 ALA HA . 8 . HA 1 1
127 1 2 1 1 11 ARG HE . 11 . HE 1 1
128 1 1 1 1 12 LYS H . 12 . HN 1 1
128 1 2 1 1 13 ARG H . 13 . HN 1 1
129 1 1 1 1 12 LYS H . 12 . HN 1 1
129 1 2 1 1 12 LYS HA . 12 . HA 1 1
130 1 1 1 1 10 GLU H . 10 . HN 1 1
130 1 2 1 1 12 LYS H . 12 . HN 1 1
131 1 1 1 1 12 LYS H . 12 . HN 1 1
131 1 2 1 1 12 LYS QB . 12 . HB# 1 1
132 1 1 1 1 12 LYS H . 12 . HN 1 1
132 1 2 1 1 12 LYS QD . 12 . HD# 1 1
133 1 1 1 1 11 ARG QD . 11 . HD# 1 1
133 1 2 1 1 12 LYS H . 12 . HN 1 1
134 1 1 1 1 12 LYS H . 12 . HN 1 1
134 1 2 1 1 12 LYS QG . 12 . HG# 1 1
135 1 1 1 1 12 LYS HA . 12 . HA 1 1
135 1 2 1 1 13 ARG H . 13 . HN 1 1
136 1 1 1 1 11 ARG QD . 11 . HD# 1 1
136 1 2 1 1 12 LYS HA . 12 . HA 1 1
137 1 1 1 1 12 LYS HA . 12 . HA 1 1
137 1 2 1 1 12 LYS HB3 . 12 . HB1 1 1
138 1 1 1 1 12 LYS HA . 12 . HA 1 1
138 1 2 1 1 12 LYS QD . 12 . HD# 1 1
139 1 1 1 1 12 LYS HA . 12 . HA 1 1
139 1 2 1 1 12 LYS QG . 12 . HG# 1 1
140 1 1 1 1 13 ARG H . 13 . HN 1 1
140 1 2 1 1 14 ARG H . 14 . HN 1 1
141 1 1 1 1 12 LYS QB . 12 . HB# 1 1
141 1 2 1 1 13 ARG H . 13 . HN 1 1
142 1 1 1 1 13 ARG H . 13 . HN 1 1
142 1 2 1 1 13 ARG QD . 13 . HD# 1 1
143 1 1 1 1 9 GLU HA . 9 . HA 1 1
143 1 1 1 1 10 GLU HA . 10 . HA 1 1
143 1 2 1 1 13 ARG HE . 13 . HE 1 1
144 1 1 1 1 9 GLU QG . 9 . HG# 1 1
144 1 2 1 1 13 ARG HE . 13 . HE 1 1
145 1 1 1 1 13 ARG H . 13 . HN 1 1
145 1 2 1 1 13 ARG QG . 13 . HG# 1 1
146 1 1 1 1 13 ARG H . 13 . HN 1 1
146 1 2 1 1 13 ARG QB . 13 . HB# 1 1
147 1 1 1 1 13 ARG H . 13 . HN 1 1
147 1 2 1 1 13 ARG HA . 13 . HA 1 1
148 1 1 1 1 13 ARG HA . 13 . HA 1 1
148 1 2 1 1 14 ARG H . 14 . HN 1 1
149 1 1 1 1 13 ARG HA . 13 . HA 1 1
149 1 2 1 1 13 ARG HB2 . 13 . HB2 1 1
150 1 1 1 1 13 ARG HA . 13 . HA 1 1
150 1 2 1 1 13 ARG QG . 13 . HG# 1 1
151 1 1 1 1 13 ARG HA . 13 . HA 1 1
151 1 2 1 1 13 ARG QD . 13 . HD# 1 1
152 1 1 1 1 14 ARG H . 14 . HN 1 1
152 1 2 1 1 14 ARG HA . 14 . HA 1 1
153 1 1 1 1 14 ARG H . 14 . HN 1 1
153 1 2 1 1 14 ARG QB . 14 . HB# 1 1
154 1 1 1 1 11 ARG HA . 11 . HA 1 1
154 1 2 1 1 14 ARG H . 14 . HN 1 1
155 1 1 1 1 10 GLU HA . 10 . HA 1 1
155 1 1 1 1 11 ARG HA . 11 . HA 1 1
155 1 2 1 1 14 ARG HE . 14 . HE 1 1
156 1 1 1 1 10 GLU QG . 10 . HG# 1 1
156 1 2 1 1 14 ARG HE . 14 . HE 1 1
157 1 1 1 1 14 ARG HA . 14 . HA 1 1
157 1 2 1 1 14 ARG QB . 14 . HB# 1 1
158 1 1 1 1 14 ARG HA . 14 . HA 1 1
158 1 2 1 1 14 ARG QG . 14 . HG# 1 1
159 1 1 1 1 14 ARG H . 14 . HN 1 1
159 1 2 1 1 14 ARG QD . 14 . HD# 1 1
160 1 1 1 1 15 LYS H . 15 . HN 1 1
160 1 2 1 1 16 MET H . 16 . HN 1 1
161 1 1 1 1 15 LYS H . 15 . HN 1 1
161 1 2 1 1 15 LYS HA . 15 . HA 1 1
162 1 1 1 1 14 ARG HA . 14 . HA 1 1
162 1 2 1 1 15 LYS H . 15 . HN 1 1
163 1 1 1 1 15 LYS H . 15 . HN 1 1
163 1 2 1 1 15 LYS QG . 15 . HG# 1 1
164 1 1 1 1 15 LYS H . 15 . HN 1 1
164 1 2 1 1 15 LYS QD . 15 . HD# 1 1
165 1 1 1 1 15 LYS HA . 15 . HA 1 1
165 1 2 1 1 16 MET H . 16 . HN 1 1
166 1 1 1 1 15 LYS HA . 15 . HA 1 1
166 1 2 1 1 15 LYS QB . 15 . HB# 1 1
167 1 1 1 1 15 LYS HA . 15 . HA 1 1
167 1 2 1 1 15 LYS QD . 15 . HD# 1 1
168 1 1 1 1 15 LYS HA . 15 . HA 1 1
168 1 2 1 1 15 LYS QG . 15 . HG# 1 1
169 1 1 1 1 16 MET H . 16 . HN 1 1
169 1 2 1 1 16 MET HA . 16 . HA 1 1
170 1 1 1 1 16 MET H . 16 . HN 1 1
170 1 2 1 1 16 MET QG . 16 . HG# 1 1
171 1 1 1 1 16 MET H . 16 . HN 1 1
171 1 2 1 1 16 MET QB . 16 . HB# 1 1
172 1 1 1 1 15 LYS QG . 15 . HG# 1 1
172 1 2 1 1 16 MET H . 16 . HN 1 1
173 1 1 1 1 16 MET HA . 16 . HA 1 1
173 1 2 1 1 17 SER H . 17 . HN 1 1
174 1 1 1 1 16 MET HA . 16 . HA 1 1
174 1 2 1 1 16 MET QB . 16 . HB# 1 1
175 1 1 1 1 17 SER H . 17 . HN 1 1
175 1 2 1 1 18 ARG H . 18 . HN 1 1
176 1 1 1 1 17 SER H . 17 . HN 1 1
176 1 2 1 1 17 SER HA . 17 . HA 1 1
177 1 1 1 1 17 SER H . 17 . HN 1 1
177 1 2 1 1 17 SER QB . 17 . HB# 1 1
178 1 1 1 1 16 MET QB . 16 . HB# 1 1
178 1 2 1 1 17 SER H . 17 . HN 1 1
179 1 1 1 1 17 SER HA . 17 . HA 1 1
179 1 2 1 1 18 ARG H . 18 . HN 1 1
180 1 1 1 1 17 SER HA . 17 . HA 1 1
180 1 2 1 1 17 SER QB . 17 . HB# 1 1
181 1 1 1 1 17 SER QB . 17 . HB# 1 1
181 1 2 1 1 18 ARG H . 18 . HN 1 1
182 1 1 1 1 18 ARG H . 18 . HN 1 1
182 1 2 1 1 18 ARG HA . 18 . HA 1 1
183 1 1 1 1 18 ARG H . 18 . HN 1 1
183 1 2 1 1 20 LEU H . 20 . HN 1 1
184 1 1 1 1 15 LYS HA . 15 . HA 1 1
184 1 2 1 1 18 ARG H . 18 . HN 1 1
185 1 1 1 1 18 ARG H . 18 . HN 1 1
185 1 2 1 1 18 ARG QB . 18 . HB# 1 1
186 1 1 1 1 18 ARG H . 18 . HN 1 1
186 1 2 1 1 18 ARG QG . 18 . HG# 1 1
187 1 1 1 1 18 ARG HA . 18 . HA 1 1
187 1 2 1 1 19 GLY H . 19 . HN 1 1
188 1 1 1 1 18 ARG HA . 18 . HA 1 1
188 1 2 1 1 18 ARG QD . 18 . HD# 1 1
189 1 1 1 1 18 ARG HA . 18 . HA 1 1
189 1 2 1 1 18 ARG QB . 18 . HB# 1 1
190 1 1 1 1 18 ARG HA . 18 . HA 1 1
190 1 2 1 1 18 ARG QG . 18 . HG# 1 1
191 1 1 1 1 19 GLY H . 19 . HN 1 1
191 1 2 1 1 20 LEU H . 20 . HN 1 1
192 1 1 1 1 19 GLY H . 19 . HN 1 1
192 1 2 1 1 19 GLY QA . 19 . HA# 1 1
193 1 1 1 1 19 GLY QA . 19 . HA# 1 1
193 1 2 1 1 20 LEU H . 20 . HN 1 1
194 1 1 1 1 20 LEU H . 20 . HN 1 1
194 1 2 1 1 20 LEU QB . 20 . HB# 1 1
195 1 1 1 1 20 LEU HA . 20 . HA 1 1
195 1 2 1 1 20 LEU QB . 20 . HB# 1 1
196 1 1 1 1 20 LEU QB . 20 . HB# 1 1
196 1 2 1 1 20 LEU QD . 20 . HD# 1 1
197 1 1 1 1 20 LEU HA . 20 . HA 1 1
197 1 2 1 1 20 LEU HG . 20 . HG 1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 3.8 1.9 4.5 1 1
2 1 . . . . . 2.4 1.9 2.7 1 1
3 1 . . . . . 2.4 1.9 2.7 1 1
4 1 . . . . . 3.8 1.9 4.5 1 1
5 1 . . . . . 3.8 1.9 4.5 1 1
6 1 . . . . . 5.0 1.9 5.8 1 1
7 1 . . . . . 2.4 1.9 2.7 1 1
8 1 . . . . . 2.8 1.9 3.5 1 1
9 1 . . . . . 5.0 1.9 5.8 1 1
10 1 . . . . . 2.4 1.9 2.7 1 1
11 1 . . . . . 5.0 1.9 5.8 1 1
12 1 . . . . . 2.8 1.9 3.5 1 1
13 1 . . . . . 5.0 1.9 5.8 1 1
14 1 . . . . . 2.8 1.9 3.5 1 1
15 1 . . . . . 2.8 1.9 3.5 1 1
16 1 . . . . . 2.4 1.9 2.7 1 1
17 1 . . . . . 2.4 1.9 2.7 1 1
18 1 . . . . . 5.0 1.9 5.8 1 1
19 1 . . . . . 5.0 1.9 5.8 1 1
20 1 . . . . . 5.0 1.9 5.8 1 1
21 1 . . . . . 2.8 1.9 3.5 1 1
22 1 . . . . . 5.0 1.9 5.8 1 1
23 1 . . . . . 3.8 1.9 4.5 1 1
24 1 . . . . . 2.4 1.9 2.7 1 1
25 1 . . . . . 5.0 1.9 5.8 1 1
26 1 . . . . . 2.4 1.9 2.7 1 1
27 1 . . . . . 2.4 1.9 2.7 1 1
28 1 . . . . . 5.0 1.9 5.8 1 1
29 1 . . . . . 2.8 1.9 3.5 1 1
30 1 . . . . . 3.8 1.9 4.5 1 1
31 1 . . . . . 2.4 1.9 2.7 1 1
32 1 . . . . . 3.8 1.9 4.5 1 1
33 1 . . . . . 2.4 1.9 2.7 1 1
34 1 . . . . . 5.0 1.9 5.8 1 1
35 1 . . . . . 2.4 1.9 2.7 1 1
36 1 . . . . . 5.0 1.9 5.8 1 1
37 1 . . . . . 2.8 1.9 3.5 1 1
38 1 . . . . . 5.0 1.9 5.8 1 1
39 1 . . . . . 5.0 1.9 5.8 1 1
40 1 . . . . . 5.0 1.9 5.8 1 1
41 1 . . . . . 2.8 1.9 3.5 1 1
42 1 . . . . . 5.0 1.9 5.8 1 1
43 1 . . . . . 2.8 1.9 3.5 1 1
44 1 . . . . . 2.8 1.9 3.5 1 1
45 1 . . . . . 5.0 1.9 5.8 1 1
46 1 . . . . . 5.0 1.9 5.8 1 1
47 1 . . . . . 5.0 1.9 5.8 1 1
48 1 . . . . . 5.0 1.9 5.8 1 1
49 1 . . . . . 5.0 1.9 5.8 1 1
50 1 . . . . . 5.0 1.9 5.8 1 1
51 1 . . . . . 5.0 1.9 5.8 1 1
52 1 . . . . . 2.4 1.9 2.7 1 1
53 1 . . . . . 5.0 1.9 5.8 1 1
54 1 . . . . . 2.8 1.9 3.5 1 1
55 1 . . . . . 2.8 1.9 3.5 1 1
56 1 . . . . . 2.8 1.9 3.5 1 1
57 1 . . . . . 5.0 1.9 5.8 1 1
58 1 . . . . . 5.0 1.9 5.8 1 1
59 1 . . . . . 2.8 1.9 3.5 1 1
60 1 . . . . . 5.0 1.9 5.8 1 1
61 1 . . . . . 5.0 1.9 5.8 1 1
62 1 . . . . . 5.0 1.9 5.8 1 1
63 1 . . . . . 3.8 1.9 4.5 1 1
64 1 . . . . . 3.8 1.9 4.5 1 1
65 1 . . . . . 2.4 1.9 2.7 1 1
66 1 . . . . . 2.4 1.9 2.7 1 1
67 1 . . . . . 5.0 1.9 5.8 1 1
68 1 . . . . . 2.4 1.9 2.7 1 1
69 1 . . . . . 2.4 1.9 2.7 1 1
70 1 . . . . . 5.0 1.9 5.8 1 1
71 1 . . . . . 5.0 1.9 5.8 1 1
72 1 . . . . . 2.8 1.9 3.5 1 1
73 1 . . . . . 5.0 1.9 5.8 1 1
74 1 . . . . . 2.4 1.9 2.7 1 1
75 1 . . . . . 2.8 1.9 3.5 1 1
76 1 . . . . . 2.4 1.9 2.7 1 1
77 1 . . . . . 3.8 1.9 4.5 1 1
78 1 . . . . . 5.0 1.9 5.8 1 1
79 1 . . . . . 2.4 1.9 2.7 1 1
80 1 . . . . . 3.8 1.9 4.5 1 1
81 1 . . . . . 2.8 1.9 3.5 1 1
82 1 . . . . . 5.0 1.9 5.8 1 1
83 1 . . . . . 2.4 1.9 2.7 1 1
84 1 . . . . . 5.0 1.9 5.8 1 1
85 1 . . . . . 2.4 1.9 2.7 1 1
86 1 . . . . . 3.8 1.9 4.5 1 1
87 1 . . . . . 2.4 1.9 2.7 1 1
88 1 . . . . . 5.0 1.9 5.8 1 1
89 1 . . . . . 2.4 1.9 2.7 1 1
90 1 . . . . . 5.0 1.9 5.8 1 1
91 1 . . . . . 2.4 1.9 2.7 1 1
92 1 . . . . . 5.0 1.9 5.8 1 1
93 1 . . . . . 2.4 1.9 2.7 1 1
94 1 . . . . . 2.4 1.9 2.7 1 1
95 1 . . . . . 2.8 1.9 3.5 1 1
96 1 . . . . . 5.0 1.9 5.8 1 1
97 1 . . . . . 2.4 1.9 2.7 1 1
98 1 . . . . . 2.8 1.9 3.5 1 1
99 1 . . . . . 5.0 1.9 5.8 1 1
100 1 . . . . . 2.8 1.9 3.5 1 1
101 1 . . . . . 2.8 1.9 3.5 1 1
102 1 . . . . . 3.8 1.9 4.5 1 1
103 1 . . . . . 2.8 1.9 3.5 1 1
104 1 . . . . . 5.0 1.9 5.8 1 1
105 1 . . . . . 5.0 1.9 5.8 1 1
106 1 . . . . . 5.0 1.9 5.8 1 1
107 1 . . . . . 2.8 1.9 3.5 1 1
108 1 . . . . . 5.0 1.9 5.8 1 1
109 1 . . . . . 3.8 1.9 4.5 1 1
110 1 . . . . . 2.4 1.9 2.7 1 1
111 1 . . . . . 5.0 1.9 5.8 1 1
112 1 . . . . . 2.4 1.9 2.7 1 1
113 1 . . . . . 3.8 1.9 4.5 1 1
114 1 . . . . . 5.0 1.9 5.8 1 1
115 1 . . . . . 5.0 1.9 5.8 1 1
116 1 . . . . . 2.8 1.9 3.5 1 1
117 1 . . . . . 2.4 1.9 2.7 1 1
118 1 . . . . . 2.8 1.9 3.5 1 1
119 1 . . . . . 3.8 1.9 4.5 1 1
120 1 . . . . . 5.0 1.9 5.8 1 1
121 1 . . . . . 5.0 1.9 5.8 1 1
122 1 . . . . . 5.0 1.9 5.8 1 1
123 1 . . . . . 2.8 1.9 3.5 1 1
124 1 . . . . . 5.0 1.9 5.8 1 1
125 1 . . . . . 2.4 1.9 2.7 1 1
126 1 . . . . . 5.0 1.9 5.8 1 1
127 1 . . . . . 5.0 1.9 5.8 1 1
128 1 . . . . . 5.0 1.9 5.8 1 1
129 1 . . . . . 2.4 1.9 2.7 1 1
130 1 . . . . . 5.0 1.9 5.8 1 1
131 1 . . . . . 2.4 1.9 2.7 1 1
132 1 . . . . . 5.0 1.9 5.8 1 1
133 1 . . . . . 5.0 1.9 5.8 1 1
134 1 . . . . . 5.0 1.9 5.8 1 1
135 1 . . . . . 2.4 1.9 2.7 1 1
136 1 . . . . . 5.0 1.9 5.8 1 1
137 1 . . . . . 2.4 1.9 2.7 1 1
138 1 . . . . . 3.8 1.9 4.5 1 1
139 1 . . . . . 3.8 1.9 4.5 1 1
140 1 . . . . . 5.0 1.9 5.8 1 1
141 1 . . . . . 3.8 1.9 4.5 1 1
142 1 . . . . . 5.0 1.9 5.8 1 1
143 1 . . . . . 5.0 1.9 5.8 1 1
144 1 . . . . . 5.0 1.9 5.8 1 1
145 1 . . . . . 3.8 1.9 4.5 1 1
146 1 . . . . . 3.8 1.9 4.5 1 1
147 1 . . . . . 2.4 1.9 2.7 1 1
148 1 . . . . . 2.4 1.9 2.7 1 1
149 1 . . . . . 2.4 1.9 2.7 1 1
150 1 . . . . . 3.8 1.9 4.5 1 1
151 1 . . . . . 3.8 1.9 4.5 1 1
152 1 . . . . . 2.4 1.9 2.7 1 1
153 1 . . . . . 2.4 1.9 2.7 1 1
154 1 . . . . . 5.0 1.9 5.8 1 1
155 1 . . . . . 5.0 1.9 5.8 1 1
156 1 . . . . . 5.0 1.9 5.8 1 1
157 1 . . . . . 3.8 1.9 4.5 1 1
158 1 . . . . . 3.8 1.9 4.5 1 1
159 1 . . . . . 5.0 1.9 5.8 1 1
160 1 . . . . . 2.8 1.9 3.5 1 1
161 1 . . . . . 2.4 1.9 2.7 1 1
162 1 . . . . . 2.8 1.9 3.5 1 1
163 1 . . . . . 5.0 1.9 5.8 1 1
164 1 . . . . . 3.8 1.9 4.5 1 1
165 1 . . . . . 2.4 1.9 2.7 1 1
166 1 . . . . . 2.4 1.9 2.7 1 1
167 1 . . . . . 3.8 1.9 4.5 1 1
168 1 . . . . . 2.8 1.9 3.5 1 1
169 1 . . . . . 2.8 1.9 3.5 1 1
170 1 . . . . . 5.0 1.9 5.8 1 1
171 1 . . . . . 3.8 1.9 4.5 1 1
172 1 . . . . . 2.8 1.9 3.5 1 1
173 1 . . . . . 2.8 1.9 3.5 1 1
174 1 . . . . . 5.0 1.9 5.8 1 1
175 1 . . . . . 2.8 1.9 3.5 1 1
176 1 . . . . . 2.8 1.9 3.5 1 1
177 1 . . . . . 2.8 1.9 3.5 1 1
178 1 . . . . . 5.0 1.9 5.8 1 1
179 1 . . . . . 2.4 1.9 2.7 1 1
180 1 . . . . . 3.8 1.9 4.5 1 1
181 1 . . . . . 5.0 1.9 5.8 1 1
182 1 . . . . . 2.4 1.9 2.7 1 1
183 1 . . . . . 3.8 1.9 4.5 1 1
184 1 . . . . . 5.0 1.9 5.8 1 1
185 1 . . . . . 5.0 1.9 5.8 1 1
186 1 . . . . . 5.0 1.9 5.8 1 1
187 1 . . . . . 2.8 1.9 3.5 1 1
188 1 . . . . . 5.0 1.9 5.8 1 1
189 1 . . . . . 5.0 1.9 5.8 1 1
190 1 . . . . . 5.0 1.9 5.8 1 1
191 1 . . . . . 3.8 1.9 4.5 1 1
192 1 . . . . . 2.4 1.9 2.7 1 1
193 1 . . . . . 2.8 1.9 3.5 1 1
194 1 . . . . . 3.8 1.9 4.5 1 1
195 1 . . . . . 3.8 1.9 4.5 1 1
196 1 . . . . . 2.4 1.9 2.7 1 1
197 1 . . . . . 2.8 1.9 3.5 1 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 2
2 1 . . . 1 2
3 1 . . . 1 2
4 1 . . . 1 2
5 1 . . . 1 2
6 1 . . . 1 2
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 1 THR OG1 . 1 . OG1 1 2
1 1 2 1 1 4 GLN N . 4 . N 1 2
2 1 1 1 1 1 THR OG1 . 1 . OG1 1 2
2 1 2 1 1 4 GLN H . 4 . HN 1 2
3 1 1 1 1 4 GLN O . 4 . O 1 2
3 1 2 1 1 7 LYS N . 7 . N 1 2
4 1 1 1 1 4 GLN O . 4 . O 1 2
4 1 2 1 1 7 LYS H . 7 . HN 1 2
5 1 1 1 1 6 ALA O . 6 . O 1 2
5 1 2 1 1 10 GLU N . 10 . N 1 2
6 1 1 1 1 6 ALA O . 6 . O 1 2
6 1 2 1 1 10 GLU H . 10 . HN 1 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 3.3 2.5 3.5 1 2
2 1 . . . . . 2.3 1.8 2.5 1 2
3 1 . . . . . 3.3 2.5 3.5 1 2
4 1 . . . . . 2.3 1.8 2.5 1 2
5 1 . . . . . 3.3 2.5 3.5 1 2
6 1 . . . . . 2.3 1.8 2.5 1 2
stop_
save_
save_conformer_family_coord_set_1
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Entry_ID 1
_Conformer_family_coord_set.ID 1
loop_
_Atom_site.Model_ID
_Atom_site.ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Occupancy
_Atom_site.Uncertainty
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
1 1 1 1 1 THR C C 5.549 -9.342 -7.415 1.00 . A A . 1 THR C 1 1
1 2 1 1 1 THR CA C 6.418 -9.657 -8.635 1.00 . A A . 1 THR CA 1 1
1 3 1 1 1 THR CB C 7.681 -8.796 -8.632 1.00 . A A . 1 THR CB 1 1
1 4 1 1 1 THR CG2 C 8.516 -9.104 -9.876 1.00 . A A . 1 THR CG2 1 1
1 5 1 1 1 THR H1 H 5.914 -8.298 -10.131 1.00 . A A . 1 THR H1 1 1
1 6 1 1 1 THR H2 H 4.675 -9.395 -9.746 1.00 . A A . 1 THR H2 1 1
1 7 1 1 1 THR H3 H 6.011 -9.905 -10.663 1.00 . A A . 1 THR H3 1 1
1 8 1 1 1 THR HA H 6.685 -10.702 -8.649 1.00 . A A . 1 THR HA 1 1
1 9 1 1 1 THR HB H 8.264 -9.013 -7.750 1.00 . A A . 1 THR HB 1 1
1 10 1 1 1 THR HG1 H 8.100 -6.907 -8.835 1.00 . A A . 1 THR HG1 1 1
1 11 1 1 1 THR HG21 H 8.154 -8.517 -10.707 1.00 . A A . 1 THR HG21 1 1
1 12 1 1 1 THR HG22 H 8.432 -10.155 -10.113 1.00 . A A . 1 THR HG22 1 1
1 13 1 1 1 THR HG23 H 9.550 -8.859 -9.685 1.00 . A A . 1 THR HG23 1 1
1 14 1 1 1 THR N N 5.700 -9.286 -9.888 1.00 . A A . 1 THR N 1 1
1 15 1 1 1 THR O O 4.527 -8.693 -7.519 1.00 . A A . 1 THR O 1 1
1 16 1 1 1 THR OG1 O 7.316 -7.423 -8.632 1.00 . A A . 1 THR OG1 1 1
1 17 1 1 2 SER C C 5.053 -8.012 -4.786 1.00 . A A . 2 SER C 1 1
1 18 1 1 2 SER CA C 5.144 -9.520 -5.032 1.00 . A A . 2 SER CA 1 1
1 19 1 1 2 SER CB C 5.906 -10.203 -3.898 1.00 . A A . 2 SER CB 1 1
1 20 1 1 2 SER H H 6.775 -10.316 -6.194 1.00 . A A . 2 SER H 1 1
1 21 1 1 2 SER HA H 4.158 -9.948 -5.124 1.00 . A A . 2 SER HA 1 1
1 22 1 1 2 SER HB2 H 6.542 -9.487 -3.406 1.00 . A A . 2 SER HB2 1 1
1 23 1 1 2 SER HB3 H 5.200 -10.605 -3.183 1.00 . A A . 2 SER HB3 1 1
1 24 1 1 2 SER HG H 7.604 -10.922 -4.518 1.00 . A A . 2 SER HG 1 1
1 25 1 1 2 SER N N 5.948 -9.795 -6.258 1.00 . A A . 2 SER N 1 1
1 26 1 1 2 SER O O 3.984 -7.468 -4.591 1.00 . A A . 2 SER O 1 1
1 27 1 1 2 SER OG O 6.706 -11.249 -4.433 1.00 . A A . 2 SER OG 1 1
1 28 1 1 3 ALA C C 5.305 -5.176 -5.632 1.00 . A A . 3 ALA C 1 1
1 29 1 1 3 ALA CA C 6.145 -5.865 -4.558 1.00 . A A . 3 ALA CA 1 1
1 30 1 1 3 ALA CB C 7.606 -5.425 -4.653 1.00 . A A . 3 ALA CB 1 1
1 31 1 1 3 ALA H H 7.016 -7.783 -4.949 1.00 . A A . 3 ALA H 1 1
1 32 1 1 3 ALA HA H 5.760 -5.653 -3.581 1.00 . A A . 3 ALA HA 1 1
1 33 1 1 3 ALA HB1 H 8.083 -5.936 -5.477 1.00 . A A . 3 ALA HB1 1 1
1 34 1 1 3 ALA HB2 H 8.117 -5.670 -3.734 1.00 . A A . 3 ALA HB2 1 1
1 35 1 1 3 ALA HB3 H 7.651 -4.359 -4.817 1.00 . A A . 3 ALA HB3 1 1
1 36 1 1 3 ALA N N 6.167 -7.331 -4.792 1.00 . A A . 3 ALA N 1 1
1 37 1 1 3 ALA O O 4.522 -4.290 -5.353 1.00 . A A . 3 ALA O 1 1
1 38 1 1 4 GLN C C 3.191 -5.075 -7.668 1.00 . A A . 4 GLN C 1 1
1 39 1 1 4 GLN CA C 4.687 -4.960 -7.957 1.00 . A A . 4 GLN CA 1 1
1 40 1 1 4 GLN CB C 5.056 -5.760 -9.208 1.00 . A A . 4 GLN CB 1 1
1 41 1 1 4 GLN CD C 6.451 -5.744 -11.281 1.00 . A A . 4 GLN CD 1 1
1 42 1 1 4 GLN CG C 6.227 -5.081 -9.920 1.00 . A A . 4 GLN CG 1 1
1 43 1 1 4 GLN H H 6.098 -6.289 -7.056 1.00 . A A . 4 GLN H 1 1
1 44 1 1 4 GLN HA H 4.975 -3.938 -8.077 1.00 . A A . 4 GLN HA 1 1
1 45 1 1 4 GLN HB2 H 5.339 -6.763 -8.923 1.00 . A A . 4 GLN HB2 1 1
1 46 1 1 4 GLN HB3 H 4.207 -5.800 -9.873 1.00 . A A . 4 GLN HB3 1 1
1 47 1 1 4 GLN HE21 H 4.624 -5.332 -11.941 1.00 . A A . 4 GLN HE21 1 1
1 48 1 1 4 GLN HE22 H 5.618 -6.172 -13.031 1.00 . A A . 4 GLN HE22 1 1
1 49 1 1 4 GLN HG2 H 6.004 -4.033 -10.062 1.00 . A A . 4 GLN HG2 1 1
1 50 1 1 4 GLN HG3 H 7.120 -5.181 -9.322 1.00 . A A . 4 GLN HG3 1 1
1 51 1 1 4 GLN N N 5.465 -5.580 -6.859 1.00 . A A . 4 GLN N 1 1
1 52 1 1 4 GLN NE2 N 5.484 -5.750 -12.157 1.00 . A A . 4 GLN NE2 1 1
1 53 1 1 4 GLN O O 2.418 -4.182 -7.957 1.00 . A A . 4 GLN O 1 1
1 54 1 1 4 GLN OE1 O 7.517 -6.262 -11.549 1.00 . A A . 4 GLN OE1 1 1
1 55 1 1 5 LYS C C 0.906 -5.384 -5.680 1.00 . A A . 5 LYS C 1 1
1 56 1 1 5 LYS CA C 1.335 -6.356 -6.781 1.00 . A A . 5 LYS CA 1 1
1 57 1 1 5 LYS CB C 1.216 -7.801 -6.296 1.00 . A A . 5 LYS CB 1 1
1 58 1 1 5 LYS CD C -0.496 -8.464 -4.601 1.00 . A A . 5 LYS CD 1 1
1 59 1 1 5 LYS CE C -0.847 -9.946 -4.447 1.00 . A A . 5 LYS CE 1 1
1 60 1 1 5 LYS CG C -0.258 -8.147 -6.079 1.00 . A A . 5 LYS CG 1 1
1 61 1 1 5 LYS H H 3.427 -6.874 -6.872 1.00 . A A . 5 LYS H 1 1
1 62 1 1 5 LYS HA H 0.735 -6.213 -7.666 1.00 . A A . 5 LYS HA 1 1
1 63 1 1 5 LYS HB2 H 1.638 -8.465 -7.036 1.00 . A A . 5 LYS HB2 1 1
1 64 1 1 5 LYS HB3 H 1.751 -7.912 -5.364 1.00 . A A . 5 LYS HB3 1 1
1 65 1 1 5 LYS HD2 H 0.400 -8.245 -4.038 1.00 . A A . 5 LYS HD2 1 1
1 66 1 1 5 LYS HD3 H -1.312 -7.862 -4.230 1.00 . A A . 5 LYS HD3 1 1
1 67 1 1 5 LYS HE2 H -1.885 -10.113 -4.699 1.00 . A A . 5 LYS HE2 1 1
1 68 1 1 5 LYS HE3 H -0.205 -10.552 -5.067 1.00 . A A . 5 LYS HE3 1 1
1 69 1 1 5 LYS HG2 H -0.871 -7.306 -6.371 1.00 . A A . 5 LYS HG2 1 1
1 70 1 1 5 LYS HG3 H -0.518 -9.008 -6.676 1.00 . A A . 5 LYS HG3 1 1
1 71 1 1 5 LYS HZ1 H -1.257 -10.996 -2.697 1.00 . A A . 5 LYS HZ1 1 1
1 72 1 1 5 LYS HZ2 H -0.760 -9.392 -2.442 1.00 . A A . 5 LYS HZ2 1 1
1 73 1 1 5 LYS HZ3 H 0.376 -10.576 -2.885 1.00 . A A . 5 LYS HZ3 1 1
1 74 1 1 5 LYS N N 2.781 -6.171 -7.096 1.00 . A A . 5 LYS N 1 1
1 75 1 1 5 LYS NZ N -0.604 -10.250 -3.010 1.00 . A A . 5 LYS NZ 1 1
1 76 1 1 5 LYS O O -0.248 -5.018 -5.577 1.00 . A A . 5 LYS O 1 1
1 77 1 1 6 ALA C C 0.829 -2.766 -4.354 1.00 . A A . 6 ALA C 1 1
1 78 1 1 6 ALA CA C 1.472 -4.021 -3.766 1.00 . A A . 6 ALA CA 1 1
1 79 1 1 6 ALA CB C 2.799 -3.680 -3.088 1.00 . A A . 6 ALA CB 1 1
1 80 1 1 6 ALA H H 2.746 -5.269 -4.954 1.00 . A A . 6 ALA H 1 1
1 81 1 1 6 ALA HA H 0.811 -4.494 -3.066 1.00 . A A . 6 ALA HA 1 1
1 82 1 1 6 ALA HB1 H 3.342 -2.972 -3.696 1.00 . A A . 6 ALA HB1 1 1
1 83 1 1 6 ALA HB2 H 3.385 -4.579 -2.972 1.00 . A A . 6 ALA HB2 1 1
1 84 1 1 6 ALA HB3 H 2.606 -3.248 -2.117 1.00 . A A . 6 ALA HB3 1 1
1 85 1 1 6 ALA N N 1.826 -4.965 -4.856 1.00 . A A . 6 ALA N 1 1
1 86 1 1 6 ALA O O -0.085 -2.201 -3.792 1.00 . A A . 6 ALA O 1 1
1 87 1 1 7 LYS C C -0.659 -1.383 -6.651 1.00 . A A . 7 LYS C 1 1
1 88 1 1 7 LYS CA C 0.748 -1.110 -6.108 1.00 . A A . 7 LYS CA 1 1
1 89 1 1 7 LYS CB C 1.706 -0.777 -7.253 1.00 . A A . 7 LYS CB 1 1
1 90 1 1 7 LYS CD C 3.857 0.383 -7.769 1.00 . A A . 7 LYS CD 1 1
1 91 1 1 7 LYS CE C 5.336 0.011 -7.637 1.00 . A A . 7 LYS CE 1 1
1 92 1 1 7 LYS CG C 3.052 -0.329 -6.680 1.00 . A A . 7 LYS CG 1 1
1 93 1 1 7 LYS H H 2.049 -2.787 -5.904 1.00 . A A . 7 LYS H 1 1
1 94 1 1 7 LYS HA H 0.736 -0.313 -5.401 1.00 . A A . 7 LYS HA 1 1
1 95 1 1 7 LYS HB2 H 1.849 -1.654 -7.868 1.00 . A A . 7 LYS HB2 1 1
1 96 1 1 7 LYS HB3 H 1.289 0.018 -7.851 1.00 . A A . 7 LYS HB3 1 1
1 97 1 1 7 LYS HD2 H 3.494 0.080 -8.740 1.00 . A A . 7 LYS HD2 1 1
1 98 1 1 7 LYS HD3 H 3.745 1.451 -7.659 1.00 . A A . 7 LYS HD3 1 1
1 99 1 1 7 LYS HE2 H 5.743 0.415 -6.719 1.00 . A A . 7 LYS HE2 1 1
1 100 1 1 7 LYS HE3 H 5.459 -1.060 -7.666 1.00 . A A . 7 LYS HE3 1 1
1 101 1 1 7 LYS HG2 H 2.884 0.347 -5.854 1.00 . A A . 7 LYS HG2 1 1
1 102 1 1 7 LYS HG3 H 3.601 -1.191 -6.335 1.00 . A A . 7 LYS HG3 1 1
1 103 1 1 7 LYS HZ1 H 6.876 0.125 -9.032 1.00 . A A . 7 LYS HZ1 1 1
1 104 1 1 7 LYS HZ2 H 6.211 1.630 -8.609 1.00 . A A . 7 LYS HZ2 1 1
1 105 1 1 7 LYS HZ3 H 5.359 0.581 -9.639 1.00 . A A . 7 LYS HZ3 1 1
1 106 1 1 7 LYS N N 1.311 -2.325 -5.479 1.00 . A A . 7 LYS N 1 1
1 107 1 1 7 LYS NZ N 5.995 0.634 -8.818 1.00 . A A . 7 LYS NZ 1 1
1 108 1 1 7 LYS O O -1.499 -0.506 -6.696 1.00 . A A . 7 LYS O 1 1
1 109 1 1 8 ALA C C -3.154 -3.440 -6.502 1.00 . A A . 8 ALA C 1 1
1 110 1 1 8 ALA CA C -2.256 -2.925 -7.610 1.00 . A A . 8 ALA CA 1 1
1 111 1 1 8 ALA CB C -2.017 -3.995 -8.675 1.00 . A A . 8 ALA CB 1 1
1 112 1 1 8 ALA H H -0.241 -3.274 -7.021 1.00 . A A . 8 ALA H 1 1
1 113 1 1 8 ALA HA H -2.682 -2.054 -8.044 1.00 . A A . 8 ALA HA 1 1
1 114 1 1 8 ALA HB1 H -2.914 -4.125 -9.262 1.00 . A A . 8 ALA HB1 1 1
1 115 1 1 8 ALA HB2 H -1.761 -4.928 -8.196 1.00 . A A . 8 ALA HB2 1 1
1 116 1 1 8 ALA HB3 H -1.207 -3.687 -9.320 1.00 . A A . 8 ALA HB3 1 1
1 117 1 1 8 ALA N N -0.919 -2.592 -7.068 1.00 . A A . 8 ALA N 1 1
1 118 1 1 8 ALA O O -4.000 -4.290 -6.699 1.00 . A A . 8 ALA O 1 1
1 119 1 1 9 GLU C C -3.689 -2.329 -3.041 1.00 . A A . 9 GLU C 1 1
1 120 1 1 9 GLU CA C -3.798 -3.340 -4.186 1.00 . A A . 9 GLU CA 1 1
1 121 1 1 9 GLU CB C -3.238 -4.702 -3.769 1.00 . A A . 9 GLU CB 1 1
1 122 1 1 9 GLU CD C -2.721 -6.163 -1.806 1.00 . A A . 9 GLU CD 1 1
1 123 1 1 9 GLU CG C -3.035 -4.734 -2.252 1.00 . A A . 9 GLU CG 1 1
1 124 1 1 9 GLU H H -2.285 -2.236 -5.237 1.00 . A A . 9 GLU H 1 1
1 125 1 1 9 GLU HA H -4.816 -3.441 -4.493 1.00 . A A . 9 GLU HA 1 1
1 126 1 1 9 GLU HB2 H -3.933 -5.479 -4.055 1.00 . A A . 9 GLU HB2 1 1
1 127 1 1 9 GLU HB3 H -2.292 -4.868 -4.260 1.00 . A A . 9 GLU HB3 1 1
1 128 1 1 9 GLU HG2 H -2.213 -4.083 -1.990 1.00 . A A . 9 GLU HG2 1 1
1 129 1 1 9 GLU HG3 H -3.935 -4.392 -1.761 1.00 . A A . 9 GLU HG3 1 1
1 130 1 1 9 GLU N N -2.969 -2.916 -5.342 1.00 . A A . 9 GLU N 1 1
1 131 1 1 9 GLU O O -4.639 -2.090 -2.322 1.00 . A A . 9 GLU O 1 1
1 132 1 1 9 GLU OE1 O -1.792 -6.741 -2.345 1.00 . A A . 9 GLU OE1 1 1
1 133 1 1 9 GLU OE2 O -3.416 -6.655 -0.932 1.00 . A A . 9 GLU OE2 1 1
1 134 1 1 10 GLU C C -3.047 0.563 -2.100 1.00 . A A . 10 GLU C 1 1
1 135 1 1 10 GLU CA C -2.378 -0.763 -1.753 1.00 . A A . 10 GLU CA 1 1
1 136 1 1 10 GLU CB C -0.869 -0.585 -1.584 1.00 . A A . 10 GLU CB 1 1
1 137 1 1 10 GLU CD C 0.873 -0.700 0.204 1.00 . A A . 10 GLU CD 1 1
1 138 1 1 10 GLU CG C -0.554 -0.257 -0.123 1.00 . A A . 10 GLU CG 1 1
1 139 1 1 10 GLU H H -1.789 -1.951 -3.432 1.00 . A A . 10 GLU H 1 1
1 140 1 1 10 GLU HA H -2.804 -1.160 -0.856 1.00 . A A . 10 GLU HA 1 1
1 141 1 1 10 GLU HB2 H -0.365 -1.498 -1.865 1.00 . A A . 10 GLU HB2 1 1
1 142 1 1 10 GLU HB3 H -0.529 0.224 -2.213 1.00 . A A . 10 GLU HB3 1 1
1 143 1 1 10 GLU HG2 H -0.647 0.808 0.035 1.00 . A A . 10 GLU HG2 1 1
1 144 1 1 10 GLU HG3 H -1.247 -0.778 0.521 1.00 . A A . 10 GLU HG3 1 1
1 145 1 1 10 GLU N N -2.541 -1.742 -2.857 1.00 . A A . 10 GLU N 1 1
1 146 1 1 10 GLU O O -2.571 1.625 -1.749 1.00 . A A . 10 GLU O 1 1
1 147 1 1 10 GLU OE1 O 1.557 -1.144 -0.703 1.00 . A A . 10 GLU OE1 1 1
1 148 1 1 10 GLU OE2 O 1.259 -0.587 1.356 1.00 . A A . 10 GLU OE2 1 1
1 149 1 1 11 ARG C C -5.537 2.281 -1.831 1.00 . A A . 11 ARG C 1 1
1 150 1 1 11 ARG CA C -4.886 1.751 -3.102 1.00 . A A . 11 ARG CA 1 1
1 151 1 1 11 ARG CB C -5.941 1.341 -4.129 1.00 . A A . 11 ARG CB 1 1
1 152 1 1 11 ARG CD C -7.432 2.171 -5.955 1.00 . A A . 11 ARG CD 1 1
1 153 1 1 11 ARG CG C -6.491 2.588 -4.823 1.00 . A A . 11 ARG CG 1 1
1 154 1 1 11 ARG CZ C -7.069 0.918 -7.996 1.00 . A A . 11 ARG CZ 1 1
1 155 1 1 11 ARG H H -4.534 -0.353 -3.007 1.00 . A A . 11 ARG H 1 1
1 156 1 1 11 ARG HA H -4.212 2.470 -3.520 1.00 . A A . 11 ARG HA 1 1
1 157 1 1 11 ARG HB2 H -5.493 0.687 -4.864 1.00 . A A . 11 ARG HB2 1 1
1 158 1 1 11 ARG HB3 H -6.747 0.823 -3.631 1.00 . A A . 11 ARG HB3 1 1
1 159 1 1 11 ARG HD2 H -8.157 1.454 -5.595 1.00 . A A . 11 ARG HD2 1 1
1 160 1 1 11 ARG HD3 H -7.928 3.035 -6.371 1.00 . A A . 11 ARG HD3 1 1
1 161 1 1 11 ARG HE H -5.574 1.613 -6.890 1.00 . A A . 11 ARG HE 1 1
1 162 1 1 11 ARG HG2 H -7.033 3.189 -4.106 1.00 . A A . 11 ARG HG2 1 1
1 163 1 1 11 ARG HG3 H -5.674 3.164 -5.230 1.00 . A A . 11 ARG HG3 1 1
1 164 1 1 11 ARG HH11 H -8.927 0.931 -7.249 1.00 . A A . 11 ARG HH11 1 1
1 165 1 1 11 ARG HH12 H -8.746 0.168 -8.793 1.00 . A A . 11 ARG HH12 1 1
1 166 1 1 11 ARG HH21 H -5.334 0.756 -8.981 1.00 . A A . 11 ARG HH21 1 1
1 167 1 1 11 ARG HH22 H -6.712 0.069 -9.774 1.00 . A A . 11 ARG HH22 1 1
1 168 1 1 11 ARG N N -4.163 0.506 -2.760 1.00 . A A . 11 ARG N 1 1
1 169 1 1 11 ARG NE N -6.547 1.549 -6.979 1.00 . A A . 11 ARG NE 1 1
1 170 1 1 11 ARG NH1 N -8.347 0.652 -8.014 1.00 . A A . 11 ARG NH1 1 1
1 171 1 1 11 ARG NH2 N -6.313 0.553 -8.995 1.00 . A A . 11 ARG NH2 1 1
1 172 1 1 11 ARG O O -5.551 3.465 -1.560 1.00 . A A . 11 ARG O 1 1
1 173 1 1 12 LYS C C -5.615 1.905 1.313 1.00 . A A . 12 LYS C 1 1
1 174 1 1 12 LYS CA C -6.693 1.779 0.234 1.00 . A A . 12 LYS CA 1 1
1 175 1 1 12 LYS CB C -7.652 0.633 0.558 1.00 . A A . 12 LYS CB 1 1
1 176 1 1 12 LYS CD C -7.217 -1.766 0.007 1.00 . A A . 12 LYS CD 1 1
1 177 1 1 12 LYS CE C -8.726 -2.013 0.069 1.00 . A A . 12 LYS CE 1 1
1 178 1 1 12 LYS CG C -6.848 -0.611 0.941 1.00 . A A . 12 LYS CG 1 1
1 179 1 1 12 LYS H H -6.015 0.448 -1.281 1.00 . A A . 12 LYS H 1 1
1 180 1 1 12 LYS HA H -7.231 2.695 0.115 1.00 . A A . 12 LYS HA 1 1
1 181 1 1 12 LYS HB2 H -8.291 0.918 1.380 1.00 . A A . 12 LYS HB2 1 1
1 182 1 1 12 LYS HB3 H -8.255 0.413 -0.310 1.00 . A A . 12 LYS HB3 1 1
1 183 1 1 12 LYS HD2 H -6.934 -1.514 -1.005 1.00 . A A . 12 LYS HD2 1 1
1 184 1 1 12 LYS HD3 H -6.695 -2.659 0.315 1.00 . A A . 12 LYS HD3 1 1
1 185 1 1 12 LYS HE2 H -8.960 -2.694 0.876 1.00 . A A . 12 LYS HE2 1 1
1 186 1 1 12 LYS HE3 H -9.255 -1.082 0.195 1.00 . A A . 12 LYS HE3 1 1
1 187 1 1 12 LYS HG2 H -5.793 -0.398 0.851 1.00 . A A . 12 LYS HG2 1 1
1 188 1 1 12 LYS HG3 H -7.075 -0.888 1.959 1.00 . A A . 12 LYS HG3 1 1
1 189 1 1 12 LYS HZ1 H -8.399 -2.290 -1.968 1.00 . A A . 12 LYS HZ1 1 1
1 190 1 1 12 LYS HZ2 H -10.035 -2.345 -1.514 1.00 . A A . 12 LYS HZ2 1 1
1 191 1 1 12 LYS HZ3 H -9.012 -3.658 -1.174 1.00 . A A . 12 LYS HZ3 1 1
1 192 1 1 12 LYS N N -6.057 1.387 -1.040 1.00 . A A . 12 LYS N 1 1
1 193 1 1 12 LYS NZ N -9.069 -2.623 -1.246 1.00 . A A . 12 LYS NZ 1 1
1 194 1 1 12 LYS O O -4.487 1.499 1.115 1.00 . A A . 12 LYS O 1 1
1 195 1 1 13 ARG C C -3.548 2.893 2.928 1.00 . A A . 13 ARG C 1 1
1 196 1 1 13 ARG CA C -4.925 2.599 3.529 1.00 . A A . 13 ARG CA 1 1
1 197 1 1 13 ARG CB C -4.916 1.247 4.246 1.00 . A A . 13 ARG CB 1 1
1 198 1 1 13 ARG CD C -4.188 -1.134 4.046 1.00 . A A . 13 ARG CD 1 1
1 199 1 1 13 ARG CG C -4.500 0.147 3.269 1.00 . A A . 13 ARG CG 1 1
1 200 1 1 13 ARG CZ C -2.812 -2.873 3.074 1.00 . A A . 13 ARG CZ 1 1
1 201 1 1 13 ARG H H -6.860 2.778 2.590 1.00 . A A . 13 ARG H 1 1
1 202 1 1 13 ARG HA H -5.211 3.379 4.216 1.00 . A A . 13 ARG HA 1 1
1 203 1 1 13 ARG HB2 H -4.215 1.280 5.066 1.00 . A A . 13 ARG HB2 1 1
1 204 1 1 13 ARG HB3 H -5.903 1.033 4.623 1.00 . A A . 13 ARG HB3 1 1
1 205 1 1 13 ARG HD2 H -4.067 -0.913 5.099 1.00 . A A . 13 ARG HD2 1 1
1 206 1 1 13 ARG HD3 H -4.969 -1.863 3.900 1.00 . A A . 13 ARG HD3 1 1
1 207 1 1 13 ARG HE H -2.141 -1.030 3.384 1.00 . A A . 13 ARG HE 1 1
1 208 1 1 13 ARG HG2 H -5.305 -0.040 2.575 1.00 . A A . 13 ARG HG2 1 1
1 209 1 1 13 ARG HG3 H -3.621 0.459 2.726 1.00 . A A . 13 ARG HG3 1 1
1 210 1 1 13 ARG HH11 H -4.689 -2.960 2.382 1.00 . A A . 13 ARG HH11 1 1
1 211 1 1 13 ARG HH12 H -3.758 -4.411 2.209 1.00 . A A . 13 ARG HH12 1 1
1 212 1 1 13 ARG HH21 H -0.913 -3.076 3.674 1.00 . A A . 13 ARG HH21 1 1
1 213 1 1 13 ARG HH22 H -1.621 -4.476 2.940 1.00 . A A . 13 ARG HH22 1 1
1 214 1 1 13 ARG N N -5.944 2.457 2.447 1.00 . A A . 13 ARG N 1 1
1 215 1 1 13 ARG NE N -2.909 -1.633 3.468 1.00 . A A . 13 ARG NE 1 1
1 216 1 1 13 ARG NH1 N -3.833 -3.460 2.511 1.00 . A A . 13 ARG NH1 1 1
1 217 1 1 13 ARG NH2 N -1.695 -3.526 3.243 1.00 . A A . 13 ARG NH2 1 1
1 218 1 1 13 ARG O O -2.584 2.205 3.198 1.00 . A A . 13 ARG O 1 1
1 219 1 1 14 ARG C C -1.121 4.628 2.552 1.00 . A A . 14 ARG C 1 1
1 220 1 1 14 ARG CA C -2.146 4.240 1.483 1.00 . A A . 14 ARG CA 1 1
1 221 1 1 14 ARG CB C -2.441 5.427 0.566 1.00 . A A . 14 ARG CB 1 1
1 222 1 1 14 ARG CD C -0.271 5.228 -0.659 1.00 . A A . 14 ARG CD 1 1
1 223 1 1 14 ARG CG C -1.794 5.191 -0.801 1.00 . A A . 14 ARG CG 1 1
1 224 1 1 14 ARG CZ C 1.431 3.507 -0.742 1.00 . A A . 14 ARG CZ 1 1
1 225 1 1 14 ARG H H -4.241 4.437 1.899 1.00 . A A . 14 ARG H 1 1
1 226 1 1 14 ARG HA H -1.793 3.410 0.902 1.00 . A A . 14 ARG HA 1 1
1 227 1 1 14 ARG HB2 H -3.510 5.533 0.446 1.00 . A A . 14 ARG HB2 1 1
1 228 1 1 14 ARG HB3 H -2.036 6.328 1.002 1.00 . A A . 14 ARG HB3 1 1
1 229 1 1 14 ARG HD2 H 0.164 5.831 -1.445 1.00 . A A . 14 ARG HD2 1 1
1 230 1 1 14 ARG HD3 H 0.008 5.612 0.310 1.00 . A A . 14 ARG HD3 1 1
1 231 1 1 14 ARG HE H -0.506 3.103 -0.913 1.00 . A A . 14 ARG HE 1 1
1 232 1 1 14 ARG HG2 H -2.098 4.225 -1.180 1.00 . A A . 14 ARG HG2 1 1
1 233 1 1 14 ARG HG3 H -2.109 5.962 -1.487 1.00 . A A . 14 ARG HG3 1 1
1 234 1 1 14 ARG HH11 H 2.028 5.219 -1.591 1.00 . A A . 14 ARG HH11 1 1
1 235 1 1 14 ARG HH12 H 3.291 4.113 -1.165 1.00 . A A . 14 ARG HH12 1 1
1 236 1 1 14 ARG HH21 H 1.130 1.725 0.119 1.00 . A A . 14 ARG HH21 1 1
1 237 1 1 14 ARG HH22 H 2.783 2.136 -0.196 1.00 . A A . 14 ARG HH22 1 1
1 238 1 1 14 ARG N N -3.453 3.904 2.109 1.00 . A A . 14 ARG N 1 1
1 239 1 1 14 ARG NE N 0.162 3.809 -0.790 1.00 . A A . 14 ARG NE 1 1
1 240 1 1 14 ARG NH1 N 2.319 4.345 -1.202 1.00 . A A . 14 ARG NH1 1 1
1 241 1 1 14 ARG NH2 N 1.811 2.367 -0.233 1.00 . A A . 14 ARG NH2 1 1
1 242 1 1 14 ARG O O -0.619 5.734 2.571 1.00 . A A . 14 ARG O 1 1
1 243 1 1 15 LYS C C -0.202 5.349 5.213 1.00 . A A . 15 LYS C 1 1
1 244 1 1 15 LYS CA C 0.181 4.046 4.511 1.00 . A A . 15 LYS CA 1 1
1 245 1 1 15 LYS CB C 1.518 4.200 3.787 1.00 . A A . 15 LYS CB 1 1
1 246 1 1 15 LYS CD C 3.346 2.646 4.484 1.00 . A A . 15 LYS CD 1 1
1 247 1 1 15 LYS CE C 2.625 1.521 5.229 1.00 . A A . 15 LYS CE 1 1
1 248 1 1 15 LYS CG C 2.658 3.980 4.782 1.00 . A A . 15 LYS CG 1 1
1 249 1 1 15 LYS H H -1.227 2.843 3.414 1.00 . A A . 15 LYS H 1 1
1 250 1 1 15 LYS HA H 0.239 3.238 5.222 1.00 . A A . 15 LYS HA 1 1
1 251 1 1 15 LYS HB2 H 1.584 3.470 2.993 1.00 . A A . 15 LYS HB2 1 1
1 252 1 1 15 LYS HB3 H 1.591 5.193 3.371 1.00 . A A . 15 LYS HB3 1 1
1 253 1 1 15 LYS HD2 H 3.314 2.455 3.421 1.00 . A A . 15 LYS HD2 1 1
1 254 1 1 15 LYS HD3 H 4.374 2.691 4.811 1.00 . A A . 15 LYS HD3 1 1
1 255 1 1 15 LYS HE2 H 1.554 1.643 5.146 1.00 . A A . 15 LYS HE2 1 1
1 256 1 1 15 LYS HE3 H 2.926 0.560 4.842 1.00 . A A . 15 LYS HE3 1 1
1 257 1 1 15 LYS HG2 H 3.373 4.784 4.693 1.00 . A A . 15 LYS HG2 1 1
1 258 1 1 15 LYS HG3 H 2.259 3.961 5.785 1.00 . A A . 15 LYS HG3 1 1
1 259 1 1 15 LYS HZ1 H 3.080 0.722 7.096 1.00 . A A . 15 LYS HZ1 1 1
1 260 1 1 15 LYS HZ2 H 2.390 2.274 7.155 1.00 . A A . 15 LYS HZ2 1 1
1 261 1 1 15 LYS HZ3 H 4.009 2.079 6.680 1.00 . A A . 15 LYS HZ3 1 1
1 262 1 1 15 LYS N N -0.808 3.728 3.444 1.00 . A A . 15 LYS N 1 1
1 263 1 1 15 LYS NZ N 3.059 1.659 6.647 1.00 . A A . 15 LYS NZ 1 1
1 264 1 1 15 LYS O O 0.170 6.427 4.793 1.00 . A A . 15 LYS O 1 1
1 265 1 1 16 MET C C -0.144 7.392 7.246 1.00 . A A . 16 MET C 1 1
1 266 1 1 16 MET CA C -1.356 6.486 7.013 1.00 . A A . 16 MET CA 1 1
1 267 1 1 16 MET CB C -1.916 5.985 8.345 1.00 . A A . 16 MET CB 1 1
1 268 1 1 16 MET CE C -4.714 7.930 6.731 1.00 . A A . 16 MET CE 1 1
1 269 1 1 16 MET CG C -3.432 6.185 8.369 1.00 . A A . 16 MET CG 1 1
1 270 1 1 16 MET H H -1.232 4.374 6.597 1.00 . A A . 16 MET H 1 1
1 271 1 1 16 MET HA H -2.122 7.012 6.466 1.00 . A A . 16 MET HA 1 1
1 272 1 1 16 MET HB2 H -1.688 4.934 8.458 1.00 . A A . 16 MET HB2 1 1
1 273 1 1 16 MET HB3 H -1.468 6.540 9.155 1.00 . A A . 16 MET HB3 1 1
1 274 1 1 16 MET HE1 H -5.712 8.317 6.888 1.00 . A A . 16 MET HE1 1 1
1 275 1 1 16 MET HE2 H -4.778 6.918 6.365 1.00 . A A . 16 MET HE2 1 1
1 276 1 1 16 MET HE3 H -4.194 8.540 6.006 1.00 . A A . 16 MET HE3 1 1
1 277 1 1 16 MET HG2 H -3.874 5.688 7.518 1.00 . A A . 16 MET HG2 1 1
1 278 1 1 16 MET HG3 H -3.836 5.768 9.279 1.00 . A A . 16 MET HG3 1 1
1 279 1 1 16 MET N N -0.944 5.255 6.279 1.00 . A A . 16 MET N 1 1
1 280 1 1 16 MET O O 0.969 7.060 6.890 1.00 . A A . 16 MET O 1 1
1 281 1 1 16 MET SD S -3.809 7.953 8.298 1.00 . A A . 16 MET SD 1 1
1 282 1 1 17 SER C C 1.554 9.018 9.346 1.00 . A A . 17 SER C 1 1
1 283 1 1 17 SER CA C 0.788 9.459 8.098 1.00 . A A . 17 SER CA 1 1
1 284 1 1 17 SER CB C 0.145 10.828 8.317 1.00 . A A . 17 SER CB 1 1
1 285 1 1 17 SER H H -1.257 8.782 8.122 1.00 . A A . 17 SER H 1 1
1 286 1 1 17 SER HA H 1.445 9.493 7.244 1.00 . A A . 17 SER HA 1 1
1 287 1 1 17 SER HB2 H -0.447 11.092 7.458 1.00 . A A . 17 SER HB2 1 1
1 288 1 1 17 SER HB3 H -0.490 10.790 9.192 1.00 . A A . 17 SER HB3 1 1
1 289 1 1 17 SER HG H 1.015 12.510 7.870 1.00 . A A . 17 SER HG 1 1
1 290 1 1 17 SER N N -0.352 8.534 7.842 1.00 . A A . 17 SER N 1 1
1 291 1 1 17 SER O O 1.747 9.781 10.271 1.00 . A A . 17 SER O 1 1
1 292 1 1 17 SER OG O 1.166 11.802 8.499 1.00 . A A . 17 SER OG 1 1
1 293 1 1 18 ARG C C 3.819 6.299 10.104 1.00 . A A . 18 ARG C 1 1
1 294 1 1 18 ARG CA C 2.749 7.297 10.551 1.00 . A A . 18 ARG CA 1 1
1 295 1 1 18 ARG CB C 1.708 6.609 11.437 1.00 . A A . 18 ARG CB 1 1
1 296 1 1 18 ARG CD C 1.544 8.249 13.316 1.00 . A A . 18 ARG CD 1 1
1 297 1 1 18 ARG CG C 0.820 7.662 12.102 1.00 . A A . 18 ARG CG 1 1
1 298 1 1 18 ARG CZ C 1.775 10.657 13.423 1.00 . A A . 18 ARG CZ 1 1
1 299 1 1 18 ARG H H 1.837 7.198 8.627 1.00 . A A . 18 ARG H 1 1
1 300 1 1 18 ARG HA H 3.192 8.118 11.071 1.00 . A A . 18 ARG HA 1 1
1 301 1 1 18 ARG HB2 H 1.098 5.954 10.831 1.00 . A A . 18 ARG HB2 1 1
1 302 1 1 18 ARG HB3 H 2.209 6.031 12.198 1.00 . A A . 18 ARG HB3 1 1
1 303 1 1 18 ARG HD2 H 1.341 7.654 14.196 1.00 . A A . 18 ARG HD2 1 1
1 304 1 1 18 ARG HD3 H 2.606 8.302 13.132 1.00 . A A . 18 ARG HD3 1 1
1 305 1 1 18 ARG HE H 0.022 9.743 13.611 1.00 . A A . 18 ARG HE 1 1
1 306 1 1 18 ARG HG2 H 0.604 8.450 11.395 1.00 . A A . 18 ARG HG2 1 1
1 307 1 1 18 ARG HG3 H -0.103 7.204 12.424 1.00 . A A . 18 ARG HG3 1 1
1 308 1 1 18 ARG HH11 H 2.843 9.962 11.879 1.00 . A A . 18 ARG HH11 1 1
1 309 1 1 18 ARG HH12 H 3.328 11.508 12.490 1.00 . A A . 18 ARG HH12 1 1
1 310 1 1 18 ARG HH21 H 0.892 11.594 14.956 1.00 . A A . 18 ARG HH21 1 1
1 311 1 1 18 ARG HH22 H 2.224 12.432 14.232 1.00 . A A . 18 ARG HH22 1 1
1 312 1 1 18 ARG N N 1.996 7.791 9.377 1.00 . A A . 18 ARG N 1 1
1 313 1 1 18 ARG NE N 0.984 9.620 13.471 1.00 . A A . 18 ARG NE 1 1
1 314 1 1 18 ARG NH1 N 2.723 10.713 12.527 1.00 . A A . 18 ARG NH1 1 1
1 315 1 1 18 ARG NH2 N 1.618 11.637 14.270 1.00 . A A . 18 ARG NH2 1 1
1 316 1 1 18 ARG O O 3.564 5.119 9.974 1.00 . A A . 18 ARG O 1 1
1 317 1 1 19 GLY C C 6.447 4.881 10.559 1.00 . A A . 19 GLY C 1 1
1 318 1 1 19 GLY CA C 6.097 5.841 9.421 1.00 . A A . 19 GLY CA 1 1
1 319 1 1 19 GLY H H 5.199 7.721 9.971 1.00 . A A . 19 GLY H 1 1
1 320 1 1 19 GLY HA2 H 5.761 5.277 8.563 1.00 . A A . 19 GLY HA2 1 1
1 321 1 1 19 GLY HA3 H 6.973 6.413 9.156 1.00 . A A . 19 GLY HA3 1 1
1 322 1 1 19 GLY N N 5.014 6.764 9.863 1.00 . A A . 19 GLY N 1 1
1 323 1 1 19 GLY O O 7.578 4.811 10.999 1.00 . A A . 19 GLY O 1 1
1 324 1 1 20 LEU C C 6.303 1.865 11.593 1.00 . A A . 20 LEU C 1 1
1 325 1 1 20 LEU CA C 5.768 3.187 12.153 1.00 . A A . 20 LEU CA 1 1
1 326 1 1 20 LEU CB C 4.420 2.984 12.854 1.00 . A A . 20 LEU CB 1 1
1 327 1 1 20 LEU CD1 C 2.409 1.513 13.056 1.00 . A A . 20 LEU CD1 1 1
1 328 1 1 20 LEU CD2 C 3.449 1.904 10.819 1.00 . A A . 20 LEU CD2 1 1
1 329 1 1 20 LEU CG C 3.729 1.729 12.313 1.00 . A A . 20 LEU CG 1 1
1 330 1 1 20 LEU H H 4.580 4.213 10.673 1.00 . A A . 20 LEU H 1 1
1 331 1 1 20 LEU HA H 6.478 3.616 12.842 1.00 . A A . 20 LEU HA 1 1
1 332 1 1 20 LEU HB2 H 4.583 2.874 13.916 1.00 . A A . 20 LEU HB2 1 1
1 333 1 1 20 LEU HB3 H 3.791 3.843 12.675 1.00 . A A . 20 LEU HB3 1 1
1 334 1 1 20 LEU HD11 H 2.350 2.196 13.890 1.00 . A A . 20 LEU HD11 1 1
1 335 1 1 20 LEU HD12 H 2.363 0.497 13.419 1.00 . A A . 20 LEU HD12 1 1
1 336 1 1 20 LEU HD13 H 1.584 1.694 12.383 1.00 . A A . 20 LEU HD13 1 1
1 337 1 1 20 LEU HD21 H 4.283 2.407 10.353 1.00 . A A . 20 LEU HD21 1 1
1 338 1 1 20 LEU HD22 H 2.553 2.494 10.688 1.00 . A A . 20 LEU HD22 1 1
1 339 1 1 20 LEU HD23 H 3.312 0.935 10.363 1.00 . A A . 20 LEU HD23 1 1
1 340 1 1 20 LEU HG H 4.370 0.873 12.464 1.00 . A A . 20 LEU HG 1 1
1 341 1 1 20 LEU N N 5.486 4.141 11.041 1.00 . A A . 20 LEU N 1 1
1 342 1 1 20 LEU O O 6.745 1.046 12.382 1.00 . A A . 20 LEU O 1 1
1 343 1 1 20 LEU OXT O 6.260 1.695 10.386 1.00 . A A . 20 LEU OXT 1 1
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