NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
373016 |
1dn3   |
cing | 4-filtered-FRED | STAR | entry | full | 244 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1dn3
# This FRED archive file contains, for PDB entry <1dn3>:
#
# - 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_1dn3
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1dn3
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 1606.88
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 $GLN_ALA_PRO_ALA_TYR_LYS_LYS_ALA_ALA_LYS_LYS_LEU_ALA_GLU_SER A . 1 1
stop_
save_
save_GLN_ALA_PRO_ALA_TYR_LYS_LYS_ALA_ALA_LYS_LYS_LEU_ALA_GLU_SER
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "GLN ALA PRO ALA TYR LYS LYS ALA ALA LYS LYS LEU ALA GLU SER"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code QAPAYKKAAKKLAES
_Entity.Number_of_monomers 15
loop_
_Entity_comp_index.ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 GLN . 1 1
2 ALA . 1 1
3 PRO . 1 1
4 ALA . 1 1
5 TYR . 1 1
6 LYS . 1 1
7 LYS . 1 1
8 ALA . 1 1
9 ALA . 1 1
10 LYS . 1 1
11 LYS . 1 1
12 LEU . 1 1
13 ALA . 1 1
14 GLU . 1 1
15 SER . 1 1
stop_
loop_
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
GLN 1 1 1 1
ALA 2 2 1 1
PRO 3 3 1 1
ALA 4 4 1 1
TYR 5 5 1 1
LYS 6 6 1 1
LYS 7 7 1 1
ALA 8 8 1 1
ALA 9 9 1 1
LYS 10 10 1 1
LYS 11 11 1 1
LEU 12 12 1 1
ALA 13 13 1 1
GLU 14 14 1 1
SER 15 15 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 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
200 1 . . . 1 1
201 1 . . . 1 1
202 1 . . . 1 1
203 1 . . . 1 1
204 1 . . . 1 1
205 1 . . . 1 1
206 1 . . . 1 1
207 1 . . . 1 1
208 1 . . . 1 1
209 1 . . . 1 1
210 1 . . . 1 1
211 1 . . . 1 1
212 1 . . . 1 1
213 1 . . . 1 1
214 1 . . . 1 1
215 1 . . . 1 1
216 1 . . . 1 1
217 1 . . . 1 1
218 1 . . . 1 1
219 1 . . . 1 1
220 1 . . . 1 1
221 1 . . . 1 1
222 1 . . . 1 1
223 1 . . . 1 1
224 1 . . . 1 1
225 1 . . . 1 1
226 1 . . . 1 1
227 1 . . . 1 1
228 1 . . . 1 1
229 1 . . . 1 1
230 1 . . . 1 1
231 1 . . . 1 1
232 1 . . . 1 1
233 1 . . . 1 1
234 1 . . . 1 1
235 1 . . . 1 1
236 1 . . . 1 1
237 1 . . . 1 1
238 1 . . . 1 1
239 1 . . . 1 1
240 1 . . . 1 1
241 1 . . . 1 1
242 1 . . . 1 1
243 1 . . . 1 1
244 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 GLN HA . 1 . HA 1 1
1 1 2 1 1 2 ALA H . 2 . HN 1 1
2 1 1 1 1 1 GLN HA . 1 . HA 1 1
2 1 2 1 1 2 ALA MB . 2 . HB# 1 1
3 1 1 1 1 1 GLN HA . 1 . HA 1 1
3 1 2 1 1 4 ALA MB . 4 . HB# 1 1
4 1 1 1 1 1 GLN HB2 . 1 . HB2 1 1
4 1 2 1 1 2 ALA H . 2 . HN 1 1
5 1 1 1 1 1 GLN HB2 . 1 . HB2 1 1
5 1 2 1 1 2 ALA MB . 2 . HB# 1 1
6 1 1 1 1 1 GLN HB3 . 1 . HB1 1 1
6 1 2 1 1 2 ALA H . 2 . HN 1 1
7 1 1 1 1 1 GLN HB3 . 1 . HB1 1 1
7 1 2 1 1 2 ALA MB . 2 . HB# 1 1
8 1 1 1 1 1 GLN HB3 . 1 . HB1 1 1
8 1 2 1 1 4 ALA MB . 4 . HB# 1 1
9 1 1 1 1 1 GLN QG . 1 . HG# 1 1
9 1 2 1 1 2 ALA H . 2 . HN 1 1
10 1 1 1 1 1 GLN QG . 1 . HG# 1 1
10 1 2 1 1 2 ALA MB . 2 . HB# 1 1
11 1 1 1 1 1 GLN QG . 1 . HG# 1 1
11 1 2 1 1 4 ALA MB . 4 . HB# 1 1
12 1 1 1 1 2 ALA H . 2 . HN 1 1
12 1 2 1 1 2 ALA MB . 2 . HB# 1 1
13 1 1 1 1 2 ALA H . 2 . HN 1 1
13 1 2 1 1 3 PRO HD2 . 3 . HD2 1 1
14 1 1 1 1 2 ALA H . 2 . HN 1 1
14 1 2 1 1 3 PRO HD3 . 3 . HD1 1 1
15 1 1 1 1 2 ALA H . 2 . HN 1 1
15 1 2 1 1 5 TYR QD . 5 . HD* 1 1
16 1 1 1 1 2 ALA HA . 2 . HA 1 1
16 1 2 1 1 3 PRO HB2 . 3 . HB2 1 1
17 1 1 1 1 2 ALA HA . 2 . HA 1 1
17 1 2 1 1 3 PRO HB3 . 3 . HB1 1 1
18 1 1 1 1 2 ALA HA . 2 . HA 1 1
18 1 2 1 1 3 PRO HD2 . 3 . HD2 1 1
19 1 1 1 1 2 ALA HA . 2 . HA 1 1
19 1 2 1 1 3 PRO HD3 . 3 . HD1 1 1
20 1 1 1 1 2 ALA HA . 2 . HA 1 1
20 1 2 1 1 3 PRO HG2 . 3 . HG2 1 1
21 1 1 1 1 2 ALA HA . 2 . HA 1 1
21 1 2 1 1 3 PRO HG3 . 3 . HG1 1 1
22 1 1 1 1 2 ALA HA . 2 . HA 1 1
22 1 2 1 1 4 ALA H . 4 . HN 1 1
23 1 1 1 1 2 ALA HA . 2 . HA 1 1
23 1 2 1 1 5 TYR QD . 5 . HD* 1 1
24 1 1 1 1 2 ALA HA . 2 . HA 1 1
24 1 2 1 1 5 TYR QE . 5 . HE* 1 1
25 1 1 1 1 2 ALA MB . 2 . HB# 1 1
25 1 2 1 1 3 PRO HA . 3 . HA 1 1
26 1 1 1 1 2 ALA MB . 2 . HB# 1 1
26 1 2 1 1 3 PRO HD2 . 3 . HD2 1 1
27 1 1 1 1 2 ALA MB . 2 . HB# 1 1
27 1 2 1 1 3 PRO HD3 . 3 . HD1 1 1
28 1 1 1 1 2 ALA MB . 2 . HB# 1 1
28 1 2 1 1 4 ALA H . 4 . HN 1 1
29 1 1 1 1 2 ALA MB . 2 . HB# 1 1
29 1 2 1 1 4 ALA HA . 4 . HA 1 1
30 1 1 1 1 2 ALA MB . 2 . HB# 1 1
30 1 2 1 1 5 TYR H . 5 . HN 1 1
31 1 1 1 1 2 ALA MB . 2 . HB# 1 1
31 1 2 1 1 5 TYR HA . 5 . HA 1 1
32 1 1 1 1 2 ALA MB . 2 . HB# 1 1
32 1 2 1 1 5 TYR QB . 5 . HB# 1 1
33 1 1 1 1 2 ALA MB . 2 . HB# 1 1
33 1 2 1 1 5 TYR QD . 5 . HD* 1 1
34 1 1 1 1 2 ALA MB . 2 . HB# 1 1
34 1 2 1 1 5 TYR QE . 5 . HE* 1 1
35 1 1 1 1 2 ALA MB . 2 . HB# 1 1
35 1 2 1 1 6 LYS H . 6 . HN 1 1
36 1 1 1 1 3 PRO HA . 3 . HA 1 1
36 1 2 1 1 3 PRO HB3 . 3 . HB1 1 1
37 1 1 1 1 3 PRO HA . 3 . HA 1 1
37 1 2 1 1 3 PRO HG3 . 3 . HG1 1 1
38 1 1 1 1 3 PRO HA . 3 . HA 1 1
38 1 2 1 1 4 ALA H . 4 . HN 1 1
39 1 1 1 1 3 PRO HA . 3 . HA 1 1
39 1 2 1 1 4 ALA MB . 4 . HB# 1 1
40 1 1 1 1 3 PRO HA . 3 . HA 1 1
40 1 2 1 1 5 TYR H . 5 . HN 1 1
41 1 1 1 1 3 PRO HA . 3 . HA 1 1
41 1 2 1 1 5 TYR QD . 5 . HD* 1 1
42 1 1 1 1 3 PRO HA . 3 . HA 1 1
42 1 2 1 1 5 TYR QE . 5 . HE* 1 1
43 1 1 1 1 3 PRO HA . 3 . HA 1 1
43 1 2 1 1 6 LYS H . 6 . HN 1 1
44 1 1 1 1 3 PRO HA . 3 . HA 1 1
44 1 2 1 1 6 LYS QD . 6 . HD# 1 1
45 1 1 1 1 3 PRO HA . 3 . HA 1 1
45 1 2 1 1 6 LYS QE . 6 . HE# 1 1
46 1 1 1 1 3 PRO HA . 3 . HA 1 1
46 1 2 1 1 6 LYS QG . 6 . HG# 1 1
47 1 1 1 1 3 PRO HA . 3 . HA 1 1
47 1 2 1 1 7 LYS H . 7 . HN 1 1
48 1 1 1 1 3 PRO HB2 . 3 . HB2 1 1
48 1 2 1 1 3 PRO HD2 . 3 . HD2 1 1
49 1 1 1 1 3 PRO HB2 . 3 . HB2 1 1
49 1 2 1 1 4 ALA H . 4 . HN 1 1
50 1 1 1 1 3 PRO HB2 . 3 . HB2 1 1
50 1 2 1 1 5 TYR QB . 5 . HB# 1 1
51 1 1 1 1 3 PRO HB2 . 3 . HB2 1 1
51 1 2 1 1 5 TYR QD . 5 . HD* 1 1
52 1 1 1 1 3 PRO HB2 . 3 . HB2 1 1
52 1 2 1 1 5 TYR QE . 5 . HE* 1 1
53 1 1 1 1 3 PRO HB3 . 3 . HB1 1 1
53 1 2 1 1 4 ALA H . 4 . HN 1 1
54 1 1 1 1 3 PRO HB3 . 3 . HB1 1 1
54 1 2 1 1 5 TYR QB . 5 . HB# 1 1
55 1 1 1 1 3 PRO HB3 . 3 . HB1 1 1
55 1 2 1 1 5 TYR QD . 5 . HD* 1 1
56 1 1 1 1 3 PRO HB3 . 3 . HB1 1 1
56 1 2 1 1 5 TYR QE . 5 . HE* 1 1
57 1 1 1 1 3 PRO HB3 . 3 . HB1 1 1
57 1 2 1 1 6 LYS H . 6 . HN 1 1
58 1 1 1 1 3 PRO HD2 . 3 . HD2 1 1
58 1 2 1 1 4 ALA H . 4 . HN 1 1
59 1 1 1 1 3 PRO HD2 . 3 . HD2 1 1
59 1 2 1 1 4 ALA MB . 4 . HB# 1 1
60 1 1 1 1 3 PRO HD2 . 3 . HD2 1 1
60 1 2 1 1 5 TYR QD . 5 . HD* 1 1
61 1 1 1 1 3 PRO HD2 . 3 . HD2 1 1
61 1 2 1 1 5 TYR QE . 5 . HE* 1 1
62 1 1 1 1 3 PRO HD2 . 3 . HD2 1 1
62 1 2 1 1 6 LYS QD . 6 . HD# 1 1
63 1 1 1 1 3 PRO HD2 . 3 . HD2 1 1
63 1 2 1 1 6 LYS QE . 6 . HE# 1 1
64 1 1 1 1 3 PRO HD2 . 3 . HD2 1 1
64 1 2 1 1 6 LYS QG . 6 . HG# 1 1
65 1 1 1 1 3 PRO HD3 . 3 . HD1 1 1
65 1 2 1 1 4 ALA H . 4 . HN 1 1
66 1 1 1 1 3 PRO HD3 . 3 . HD1 1 1
66 1 2 1 1 4 ALA MB . 4 . HB# 1 1
67 1 1 1 1 3 PRO HD3 . 3 . HD1 1 1
67 1 2 1 1 5 TYR QD . 5 . HD* 1 1
68 1 1 1 1 3 PRO HD3 . 3 . HD1 1 1
68 1 2 1 1 5 TYR QE . 5 . HE* 1 1
69 1 1 1 1 3 PRO HD3 . 3 . HD1 1 1
69 1 2 1 1 6 LYS QD . 6 . HD# 1 1
70 1 1 1 1 3 PRO HD3 . 3 . HD1 1 1
70 1 2 1 1 6 LYS QE . 6 . HE# 1 1
71 1 1 1 1 3 PRO HD3 . 3 . HD1 1 1
71 1 2 1 1 6 LYS QG . 6 . HG# 1 1
72 1 1 1 1 3 PRO HG2 . 3 . HG2 1 1
72 1 2 1 1 4 ALA H . 4 . HN 1 1
73 1 1 1 1 3 PRO HG2 . 3 . HG2 1 1
73 1 2 1 1 5 TYR QD . 5 . HD* 1 1
74 1 1 1 1 3 PRO HG2 . 3 . HG2 1 1
74 1 2 1 1 5 TYR QE . 5 . HE* 1 1
75 1 1 1 1 3 PRO HG3 . 3 . HG1 1 1
75 1 2 1 1 4 ALA H . 4 . HN 1 1
76 1 1 1 1 3 PRO HG3 . 3 . HG1 1 1
76 1 2 1 1 5 TYR QD . 5 . HD* 1 1
77 1 1 1 1 3 PRO HG3 . 3 . HG1 1 1
77 1 2 1 1 5 TYR QE . 5 . HE* 1 1
78 1 1 1 1 3 PRO HG3 . 3 . HG1 1 1
78 1 2 1 1 6 LYS H . 6 . HN 1 1
79 1 1 1 1 4 ALA H . 4 . HN 1 1
79 1 2 1 1 4 ALA MB . 4 . HB# 1 1
80 1 1 1 1 4 ALA H . 4 . HN 1 1
80 1 2 1 1 5 TYR H . 5 . HN 1 1
81 1 1 1 1 4 ALA H . 4 . HN 1 1
81 1 2 1 1 5 TYR QD . 5 . HD* 1 1
82 1 1 1 1 4 ALA H . 4 . HN 1 1
82 1 2 1 1 5 TYR QE . 5 . HE* 1 1
83 1 1 1 1 4 ALA H . 4 . HN 1 1
83 1 2 1 1 6 LYS H . 6 . HN 1 1
84 1 1 1 1 4 ALA HA . 4 . HA 1 1
84 1 2 1 1 5 TYR H . 5 . HN 1 1
85 1 1 1 1 4 ALA HA . 4 . HA 1 1
85 1 2 1 1 5 TYR QD . 5 . HD* 1 1
86 1 1 1 1 4 ALA HA . 4 . HA 1 1
86 1 2 1 1 5 TYR QE . 5 . HE* 1 1
87 1 1 1 1 4 ALA HA . 4 . HA 1 1
87 1 2 1 1 6 LYS H . 6 . HN 1 1
88 1 1 1 1 4 ALA HA . 4 . HA 1 1
88 1 2 1 1 7 LYS H . 7 . HN 1 1
89 1 1 1 1 4 ALA HA . 4 . HA 1 1
89 1 2 1 1 7 LYS QB . 7 . HB# 1 1
90 1 1 1 1 4 ALA HA . 4 . HA 1 1
90 1 2 1 1 8 ALA H . 8 . HN 1 1
91 1 1 1 1 4 ALA MB . 4 . HB# 1 1
91 1 2 1 1 5 TYR H . 5 . HN 1 1
92 1 1 1 1 4 ALA MB . 4 . HB# 1 1
92 1 2 1 1 5 TYR QB . 5 . HB# 1 1
93 1 1 1 1 4 ALA MB . 4 . HB# 1 1
93 1 2 1 1 5 TYR QD . 5 . HD* 1 1
94 1 1 1 1 4 ALA MB . 4 . HB# 1 1
94 1 2 1 1 5 TYR QE . 5 . HE* 1 1
95 1 1 1 1 4 ALA MB . 4 . HB# 1 1
95 1 2 1 1 6 LYS H . 6 . HN 1 1
96 1 1 1 1 5 TYR H . 5 . HN 1 1
96 1 2 1 1 5 TYR QB . 5 . HB# 1 1
97 1 1 1 1 5 TYR H . 5 . HN 1 1
97 1 2 1 1 5 TYR QD . 5 . HD* 1 1
98 1 1 1 1 5 TYR H . 5 . HN 1 1
98 1 2 1 1 5 TYR QE . 5 . HE* 1 1
99 1 1 1 1 5 TYR H . 5 . HN 1 1
99 1 2 1 1 6 LYS H . 6 . HN 1 1
100 1 1 1 1 5 TYR HA . 5 . HA 1 1
100 1 2 1 1 5 TYR QD . 5 . HD* 1 1
101 1 1 1 1 5 TYR HA . 5 . HA 1 1
101 1 2 1 1 5 TYR QE . 5 . HE* 1 1
102 1 1 1 1 5 TYR HA . 5 . HA 1 1
102 1 2 1 1 6 LYS H . 6 . HN 1 1
103 1 1 1 1 5 TYR HA . 5 . HA 1 1
103 1 2 1 1 6 LYS HA . 6 . HA 1 1
104 1 1 1 1 5 TYR HA . 5 . HA 1 1
104 1 2 1 1 7 LYS H . 7 . HN 1 1
105 1 1 1 1 5 TYR HA . 5 . HA 1 1
105 1 2 1 1 8 ALA H . 8 . HN 1 1
106 1 1 1 1 5 TYR HA . 5 . HA 1 1
106 1 2 1 1 8 ALA HA . 8 . HA 1 1
107 1 1 1 1 5 TYR HA . 5 . HA 1 1
107 1 2 1 1 8 ALA MB . 8 . HB# 1 1
108 1 1 1 1 5 TYR HA . 5 . HA 1 1
108 1 2 1 1 9 ALA H . 9 . HN 1 1
109 1 1 1 1 5 TYR QB . 5 . HB# 1 1
109 1 2 1 1 5 TYR QD . 5 . HD* 1 1
110 1 1 1 1 5 TYR QB . 5 . HB# 1 1
110 1 2 1 1 5 TYR QE . 5 . HE* 1 1
111 1 1 1 1 5 TYR QB . 5 . HB# 1 1
111 1 2 1 1 6 LYS H . 6 . HN 1 1
112 1 1 1 1 5 TYR QB . 5 . HB# 1 1
112 1 2 1 1 6 LYS QB . 6 . HB# 1 1
113 1 1 1 1 5 TYR QB . 5 . HB# 1 1
113 1 2 1 1 6 LYS QD . 6 . HD# 1 1
114 1 1 1 1 5 TYR QB . 5 . HB# 1 1
114 1 2 1 1 6 LYS QE . 6 . HE# 1 1
115 1 1 1 1 5 TYR QB . 5 . HB# 1 1
115 1 2 1 1 6 LYS QG . 6 . HG# 1 1
116 1 1 1 1 5 TYR QB . 5 . HB# 1 1
116 1 2 1 1 7 LYS H . 7 . HN 1 1
117 1 1 1 1 5 TYR QB . 5 . HB# 1 1
117 1 2 1 1 8 ALA H . 8 . HN 1 1
118 1 1 1 1 5 TYR QD . 5 . HD* 1 1
118 1 2 1 1 6 LYS H . 6 . HN 1 1
119 1 1 1 1 5 TYR QD . 5 . HD* 1 1
119 1 2 1 1 6 LYS HA . 6 . HA 1 1
120 1 1 1 1 5 TYR QD . 5 . HD* 1 1
120 1 2 1 1 6 LYS QD . 6 . HD# 1 1
121 1 1 1 1 5 TYR QD . 5 . HD* 1 1
121 1 2 1 1 6 LYS QE . 6 . HE# 1 1
122 1 1 1 1 5 TYR QD . 5 . HD* 1 1
122 1 2 1 1 6 LYS QG . 6 . HG# 1 1
123 1 1 1 1 5 TYR QD . 5 . HD* 1 1
123 1 2 1 1 7 LYS H . 7 . HN 1 1
124 1 1 1 1 5 TYR QD . 5 . HD* 1 1
124 1 2 1 1 8 ALA H . 8 . HN 1 1
125 1 1 1 1 5 TYR QD . 5 . HD* 1 1
125 1 2 1 1 9 ALA H . 9 . HN 1 1
126 1 1 1 1 5 TYR QE . 5 . HE* 1 1
126 1 2 1 1 6 LYS H . 6 . HN 1 1
127 1 1 1 1 5 TYR QE . 5 . HE* 1 1
127 1 2 1 1 6 LYS HA . 6 . HA 1 1
128 1 1 1 1 5 TYR QE . 5 . HE* 1 1
128 1 2 1 1 6 LYS QD . 6 . HD# 1 1
129 1 1 1 1 5 TYR QE . 5 . HE* 1 1
129 1 2 1 1 6 LYS QE . 6 . HE# 1 1
130 1 1 1 1 5 TYR QE . 5 . HE* 1 1
130 1 2 1 1 6 LYS QG . 6 . HG# 1 1
131 1 1 1 1 5 TYR QE . 5 . HE* 1 1
131 1 2 1 1 7 LYS H . 7 . HN 1 1
132 1 1 1 1 5 TYR QE . 5 . HE* 1 1
132 1 2 1 1 8 ALA H . 8 . HN 1 1
133 1 1 1 1 5 TYR QE . 5 . HE* 1 1
133 1 2 1 1 9 ALA H . 9 . HN 1 1
134 1 1 1 1 6 LYS H . 6 . HN 1 1
134 1 2 1 1 6 LYS QD . 6 . HD# 1 1
135 1 1 1 1 6 LYS H . 6 . HN 1 1
135 1 2 1 1 6 LYS QE . 6 . HE# 1 1
136 1 1 1 1 6 LYS H . 6 . HN 1 1
136 1 2 1 1 6 LYS QG . 6 . HG# 1 1
137 1 1 1 1 6 LYS H . 6 . HN 1 1
137 1 2 1 1 7 LYS H . 7 . HN 1 1
138 1 1 1 1 6 LYS H . 6 . HN 1 1
138 1 2 1 1 8 ALA H . 8 . HN 1 1
139 1 1 1 1 6 LYS HA . 6 . HA 1 1
139 1 2 1 1 6 LYS QD . 6 . HD# 1 1
140 1 1 1 1 6 LYS HA . 6 . HA 1 1
140 1 2 1 1 6 LYS QE . 6 . HE# 1 1
141 1 1 1 1 6 LYS HA . 6 . HA 1 1
141 1 2 1 1 7 LYS H . 7 . HN 1 1
142 1 1 1 1 6 LYS HA . 6 . HA 1 1
142 1 2 1 1 8 ALA H . 8 . HN 1 1
143 1 1 1 1 6 LYS HA . 6 . HA 1 1
143 1 2 1 1 9 ALA H . 9 . HN 1 1
144 1 1 1 1 6 LYS HA . 6 . HA 1 1
144 1 2 1 1 9 ALA MB . 9 . HB# 1 1
145 1 1 1 1 6 LYS HA . 6 . HA 1 1
145 1 2 1 1 10 LYS H . 10 . HN 1 1
146 1 1 1 1 6 LYS QD . 6 . HD# 1 1
146 1 2 1 1 7 LYS H . 7 . HN 1 1
147 1 1 1 1 6 LYS QG . 6 . HG# 1 1
147 1 2 1 1 7 LYS H . 7 . HN 1 1
148 1 1 1 1 7 LYS H . 7 . HN 1 1
148 1 2 1 1 7 LYS HA . 7 . HA 1 1
149 1 1 1 1 7 LYS H . 7 . HN 1 1
149 1 2 1 1 7 LYS QB . 7 . HB# 1 1
150 1 1 1 1 7 LYS H . 7 . HN 1 1
150 1 2 1 1 7 LYS QD . 7 . HD# 1 1
151 1 1 1 1 7 LYS H . 7 . HN 1 1
151 1 2 1 1 7 LYS QE . 7 . HE# 1 1
152 1 1 1 1 7 LYS H . 7 . HN 1 1
152 1 2 1 1 7 LYS HG2 . 7 . HG2 1 1
153 1 1 1 1 7 LYS H . 7 . HN 1 1
153 1 2 1 1 7 LYS HG3 . 7 . HG1 1 1
154 1 1 1 1 7 LYS H . 7 . HN 1 1
154 1 2 1 1 8 ALA H . 8 . HN 1 1
155 1 1 1 1 7 LYS H . 7 . HN 1 1
155 1 2 1 1 9 ALA H . 9 . HN 1 1
156 1 1 1 1 7 LYS HA . 7 . HA 1 1
156 1 2 1 1 8 ALA H . 8 . HN 1 1
157 1 1 1 1 7 LYS QB . 7 . HB# 1 1
157 1 2 1 1 8 ALA H . 8 . HN 1 1
158 1 1 1 1 7 LYS QD . 7 . HD# 1 1
158 1 2 1 1 8 ALA H . 8 . HN 1 1
159 1 1 1 1 7 LYS HG2 . 7 . HG2 1 1
159 1 2 1 1 8 ALA H . 8 . HN 1 1
160 1 1 1 1 8 ALA H . 8 . HN 1 1
160 1 2 1 1 8 ALA HA . 8 . HA 1 1
161 1 1 1 1 8 ALA H . 8 . HN 1 1
161 1 2 1 1 8 ALA MB . 8 . HB# 1 1
162 1 1 1 1 8 ALA H . 8 . HN 1 1
162 1 2 1 1 9 ALA H . 9 . HN 1 1
163 1 1 1 1 8 ALA H . 8 . HN 1 1
163 1 2 1 1 10 LYS H . 10 . HN 1 1
164 1 1 1 1 8 ALA H . 8 . HN 1 1
164 1 2 1 1 12 LEU QD . 12 . HD* 1 1
165 1 1 1 1 8 ALA HA . 8 . HA 1 1
165 1 2 1 1 9 ALA H . 9 . HN 1 1
166 1 1 1 1 8 ALA HA . 8 . HA 1 1
166 1 2 1 1 10 LYS H . 10 . HN 1 1
167 1 1 1 1 8 ALA HA . 8 . HA 1 1
167 1 2 1 1 11 LYS H . 11 . HN 1 1
168 1 1 1 1 8 ALA HA . 8 . HA 1 1
168 1 2 1 1 11 LYS QB . 11 . HB# 1 1
169 1 1 1 1 8 ALA HA . 8 . HA 1 1
169 1 2 1 1 12 LEU QD . 12 . HD* 1 1
170 1 1 1 1 8 ALA MB . 8 . HB# 1 1
170 1 2 1 1 9 ALA H . 9 . HN 1 1
171 1 1 1 1 9 ALA H . 9 . HN 1 1
171 1 2 1 1 9 ALA HA . 9 . HA 1 1
172 1 1 1 1 9 ALA H . 9 . HN 1 1
172 1 2 1 1 9 ALA MB . 9 . HB# 1 1
173 1 1 1 1 9 ALA H . 9 . HN 1 1
173 1 2 1 1 10 LYS H . 10 . HN 1 1
174 1 1 1 1 9 ALA H . 9 . HN 1 1
174 1 2 1 1 11 LYS H . 11 . HN 1 1
175 1 1 1 1 9 ALA HA . 9 . HA 1 1
175 1 2 1 1 10 LYS H . 10 . HN 1 1
176 1 1 1 1 9 ALA HA . 9 . HA 1 1
176 1 2 1 1 12 LEU H . 12 . HN 1 1
177 1 1 1 1 9 ALA HA . 9 . HA 1 1
177 1 2 1 1 12 LEU QD . 12 . HD* 1 1
178 1 1 1 1 9 ALA HA . 9 . HA 1 1
178 1 2 1 1 12 LEU HG . 12 . HG 1 1
179 1 1 1 1 9 ALA MB . 9 . HB# 1 1
179 1 2 1 1 12 LEU QD . 12 . HD* 1 1
180 1 1 1 1 10 LYS H . 10 . HN 1 1
180 1 2 1 1 10 LYS HA . 10 . HA 1 1
181 1 1 1 1 10 LYS H . 10 . HN 1 1
181 1 2 1 1 10 LYS QB . 10 . HB# 1 1
182 1 1 1 1 10 LYS H . 10 . HN 1 1
182 1 2 1 1 10 LYS QD . 10 . HD# 1 1
183 1 1 1 1 10 LYS H . 10 . HN 1 1
183 1 2 1 1 10 LYS QE . 10 . HE# 1 1
184 1 1 1 1 10 LYS H . 10 . HN 1 1
184 1 2 1 1 11 LYS H . 11 . HN 1 1
185 1 1 1 1 10 LYS H . 10 . HN 1 1
185 1 2 1 1 12 LEU H . 12 . HN 1 1
186 1 1 1 1 10 LYS H . 10 . HN 1 1
186 1 2 1 1 12 LEU QD . 12 . HD* 1 1
187 1 1 1 1 10 LYS HA . 10 . HA 1 1
187 1 2 1 1 11 LYS H . 11 . HN 1 1
188 1 1 1 1 10 LYS HA . 10 . HA 1 1
188 1 2 1 1 13 ALA H . 13 . HN 1 1
189 1 1 1 1 10 LYS HA . 10 . HA 1 1
189 1 2 1 1 13 ALA MB . 13 . HB# 1 1
190 1 1 1 1 10 LYS HA . 10 . HA 1 1
190 1 2 1 1 14 GLU H . 14 . HN 1 1
191 1 1 1 1 11 LYS H . 11 . HN 1 1
191 1 2 1 1 11 LYS HA . 11 . HA 1 1
192 1 1 1 1 11 LYS H . 11 . HN 1 1
192 1 2 1 1 11 LYS QB . 11 . HB# 1 1
193 1 1 1 1 11 LYS H . 11 . HN 1 1
193 1 2 1 1 12 LEU H . 12 . HN 1 1
194 1 1 1 1 11 LYS H . 11 . HN 1 1
194 1 2 1 1 12 LEU QD . 12 . HD* 1 1
195 1 1 1 1 11 LYS H . 11 . HN 1 1
195 1 2 1 1 13 ALA H . 13 . HN 1 1
196 1 1 1 1 11 LYS HA . 11 . HA 1 1
196 1 2 1 1 11 LYS QD . 11 . HD# 1 1
197 1 1 1 1 11 LYS HA . 11 . HA 1 1
197 1 2 1 1 11 LYS QE . 11 . HE# 1 1
198 1 1 1 1 11 LYS HA . 11 . HA 1 1
198 1 2 1 1 12 LEU H . 12 . HN 1 1
199 1 1 1 1 11 LYS HA . 11 . HA 1 1
199 1 2 1 1 14 GLU QB . 14 . HB# 1 1
200 1 1 1 1 11 LYS HA . 11 . HA 1 1
200 1 2 1 1 14 GLU HG2 . 14 . HG2 1 1
201 1 1 1 1 11 LYS HA . 11 . HA 1 1
201 1 2 1 1 14 GLU HG3 . 14 . HG1 1 1
202 1 1 1 1 11 LYS QB . 11 . HB# 1 1
202 1 2 1 1 12 LEU H . 12 . HN 1 1
203 1 1 1 1 11 LYS QB . 11 . HB# 1 1
203 1 2 1 1 12 LEU QD . 12 . HD* 1 1
204 1 1 1 1 11 LYS QB . 11 . HB# 1 1
204 1 2 1 1 14 GLU HG2 . 14 . HG2 1 1
205 1 1 1 1 11 LYS QB . 11 . HB# 1 1
205 1 2 1 1 14 GLU HG3 . 14 . HG1 1 1
206 1 1 1 1 11 LYS QD . 11 . HD# 1 1
206 1 2 1 1 14 GLU HG2 . 14 . HG2 1 1
207 1 1 1 1 11 LYS QD . 11 . HD# 1 1
207 1 2 1 1 14 GLU HG3 . 14 . HG1 1 1
208 1 1 1 1 11 LYS QG . 11 . HG# 1 1
208 1 2 1 1 14 GLU HG2 . 14 . HG2 1 1
209 1 1 1 1 11 LYS QG . 11 . HG# 1 1
209 1 2 1 1 14 GLU HG3 . 14 . HG1 1 1
210 1 1 1 1 12 LEU H . 12 . HN 1 1
210 1 2 1 1 12 LEU HA . 12 . HA 1 1
211 1 1 1 1 12 LEU H . 12 . HN 1 1
211 1 2 1 1 12 LEU QB . 12 . HB# 1 1
212 1 1 1 1 12 LEU H . 12 . HN 1 1
212 1 2 1 1 12 LEU QD . 12 . HD* 1 1
213 1 1 1 1 12 LEU H . 12 . HN 1 1
213 1 2 1 1 12 LEU HG . 12 . HG 1 1
214 1 1 1 1 12 LEU H . 12 . HN 1 1
214 1 2 1 1 13 ALA H . 13 . HN 1 1
215 1 1 1 1 12 LEU H . 12 . HN 1 1
215 1 2 1 1 14 GLU H . 14 . HN 1 1
216 1 1 1 1 12 LEU HA . 12 . HA 1 1
216 1 2 1 1 12 LEU QD . 12 . HD* 1 1
217 1 1 1 1 12 LEU HA . 12 . HA 1 1
217 1 2 1 1 12 LEU HG . 12 . HG 1 1
218 1 1 1 1 12 LEU HA . 12 . HA 1 1
218 1 2 1 1 13 ALA H . 13 . HN 1 1
219 1 1 1 1 12 LEU HA . 12 . HA 1 1
219 1 2 1 1 15 SER QB . 15 . HB# 1 1
220 1 1 1 1 12 LEU QB . 12 . HB# 1 1
220 1 2 1 1 13 ALA H . 13 . HN 1 1
221 1 1 1 1 12 LEU QD . 12 . HD* 1 1
221 1 2 1 1 13 ALA H . 13 . HN 1 1
222 1 1 1 1 12 LEU QD . 12 . HD* 1 1
222 1 2 1 1 13 ALA HA . 13 . HA 1 1
223 1 1 1 1 12 LEU QD . 12 . HD* 1 1
223 1 2 1 1 14 GLU H . 14 . HN 1 1
224 1 1 1 1 12 LEU QD . 12 . HD* 1 1
224 1 2 1 1 15 SER HA . 15 . HA 1 1
225 1 1 1 1 12 LEU HG . 12 . HG 1 1
225 1 2 1 1 13 ALA H . 13 . HN 1 1
226 1 1 1 1 13 ALA H . 13 . HN 1 1
226 1 2 1 1 13 ALA HA . 13 . HA 1 1
227 1 1 1 1 13 ALA H . 13 . HN 1 1
227 1 2 1 1 13 ALA MB . 13 . HB# 1 1
228 1 1 1 1 13 ALA H . 13 . HN 1 1
228 1 2 1 1 14 GLU H . 14 . HN 1 1
229 1 1 1 1 13 ALA MB . 13 . HB# 1 1
229 1 2 1 1 14 GLU H . 14 . HN 1 1
230 1 1 1 1 13 ALA MB . 13 . HB# 1 1
230 1 2 1 1 14 GLU HA . 14 . HA 1 1
231 1 1 1 1 13 ALA MB . 13 . HB# 1 1
231 1 2 1 1 14 GLU QB . 14 . HB# 1 1
232 1 1 1 1 13 ALA MB . 13 . HB# 1 1
232 1 2 1 1 14 GLU HG2 . 14 . HG2 1 1
233 1 1 1 1 13 ALA MB . 13 . HB# 1 1
233 1 2 1 1 14 GLU HG3 . 14 . HG1 1 1
234 1 1 1 1 14 GLU H . 14 . HN 1 1
234 1 2 1 1 14 GLU QB . 14 . HB# 1 1
235 1 1 1 1 14 GLU H . 14 . HN 1 1
235 1 2 1 1 14 GLU HG2 . 14 . HG2 1 1
236 1 1 1 1 14 GLU H . 14 . HN 1 1
236 1 2 1 1 14 GLU HG3 . 14 . HG1 1 1
237 1 1 1 1 14 GLU H . 14 . HN 1 1
237 1 2 1 1 15 SER H . 15 . HN 1 1
238 1 1 1 1 14 GLU HA . 14 . HA 1 1
238 1 2 1 1 14 GLU HG2 . 14 . HG2 1 1
239 1 1 1 1 14 GLU HA . 14 . HA 1 1
239 1 2 1 1 14 GLU HG3 . 14 . HG1 1 1
240 1 1 1 1 14 GLU HA . 14 . HA 1 1
240 1 2 1 1 15 SER H . 15 . HN 1 1
241 1 1 1 1 14 GLU QB . 14 . HB# 1 1
241 1 2 1 1 15 SER H . 15 . HN 1 1
242 1 1 1 1 14 GLU QB . 14 . HB# 1 1
242 1 2 1 1 15 SER HA . 15 . HA 1 1
243 1 1 1 1 14 GLU HG2 . 14 . HG2 1 1
243 1 2 1 1 15 SER H . 15 . HN 1 1
244 1 1 1 1 14 GLU HG3 . 14 . HG1 1 1
244 1 2 1 1 15 SER H . 15 . HN 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 . . . . . 3.9 1.8 4.3 1 1
2 1 . . . . . 6.0 1.8 7.4 1 1
3 1 . . . . . 6.0 1.8 7.4 1 1
4 1 . . . . . 6.0 1.8 6.5 1 1
5 1 . . . . . 6.0 1.8 7.4 1 1
6 1 . . . . . 6.0 1.8 6.5 1 1
7 1 . . . . . 6.0 1.8 7.4 1 1
8 1 . . . . . 6.0 1.8 7.4 1 1
9 1 . . . . . 6.0 1.8 7.5 1 1
10 1 . . . . . 6.0 1.8 8.4 1 1
11 1 . . . . . 6.0 1.8 8.4 1 1
12 1 . . . . . 2.8 1.8 4.1 1 1
13 1 . . . . . 6.0 1.8 6.5 1 1
14 1 . . . . . 6.0 1.8 6.5 1 1
15 1 . . . . . 6.0 1.8 8.5 1 1
16 1 . . . . . 6.0 1.8 6.5 1 1
17 1 . . . . . 6.0 1.8 6.5 1 1
18 1 . . . . . 6.0 1.8 6.4 1 1
19 1 . . . . . 6.0 1.8 6.3 1 1
20 1 . . . . . 6.0 1.8 6.4 1 1
21 1 . . . . . 6.0 1.8 6.4 1 1
22 1 . . . . . 6.0 1.8 6.5 1 1
23 1 . . . . . 6.0 1.8 8.4 1 1
24 1 . . . . . 6.0 1.8 8.4 1 1
25 1 . . . . . 6.0 1.8 7.4 1 1
26 1 . . . . . 6.0 1.8 7.3 1 1
27 1 . . . . . 6.0 1.8 7.3 1 1
28 1 . . . . . 6.0 1.8 7.5 1 1
29 1 . . . . . 6.0 1.8 7.4 1 1
30 1 . . . . . 6.0 1.8 7.4 1 1
31 1 . . . . . 6.0 1.8 7.4 1 1
32 1 . . . . . 6.0 1.8 8.4 1 1
33 1 . . . . . 6.0 1.8 9.4 1 1
34 1 . . . . . 6.0 1.8 9.5 1 1
35 1 . . . . . 5.0 1.8 6.5 1 1
36 1 . . . . . 2.8 1.8 3.1 1 1
37 1 . . . . . 3.9 1.8 4.3 1 1
38 1 . . . . . 2.8 1.8 3.1 1 1
39 1 . . . . . 6.0 1.8 7.4 1 1
40 1 . . . . . 5.0 1.8 5.5 1 1
41 1 . . . . . 6.0 1.8 8.5 1 1
42 1 . . . . . 6.0 1.8 8.5 1 1
43 1 . . . . . 5.0 0.8 5.5 1 1
44 1 . . . . . 5.0 1.8 6.5 1 1
45 1 . . . . . 5.0 1.8 6.5 1 1
46 1 . . . . . 5.0 1.8 6.5 1 1
47 1 . . . . . 5.0 1.8 5.5 1 1
48 1 . . . . . 3.9 1.8 4.3 1 1
49 1 . . . . . 6.0 1.8 6.4 1 1
50 1 . . . . . 6.0 1.8 7.5 1 1
51 1 . . . . . 6.0 1.8 8.4 1 1
52 1 . . . . . 6.0 1.8 8.4 1 1
53 1 . . . . . 6.0 1.8 6.5 1 1
54 1 . . . . . 6.0 1.8 7.5 1 1
55 1 . . . . . 6.0 1.8 8.4 1 1
56 1 . . . . . 6.0 1.8 8.4 1 1
57 1 . . . . . 5.0 1.8 5.5 1 1
58 1 . . . . . 6.0 1.8 6.5 1 1
59 1 . . . . . 6.0 1.8 7.5 1 1
60 1 . . . . . 6.0 1.8 8.5 1 1
61 1 . . . . . 6.0 1.8 8.4 1 1
62 1 . . . . . 5.0 1.8 6.5 1 1
63 1 . . . . . 5.0 1.8 6.5 1 1
64 1 . . . . . 5.0 1.8 6.5 1 1
65 1 . . . . . 6.0 1.8 6.5 1 1
66 1 . . . . . 6.0 1.8 7.5 1 1
67 1 . . . . . 6.0 1.8 8.5 1 1
68 1 . . . . . 6.0 1.8 8.5 1 1
69 1 . . . . . 5.0 1.8 6.5 1 1
70 1 . . . . . 5.0 1.8 6.5 1 1
71 1 . . . . . 5.0 1.8 6.5 1 1
72 1 . . . . . 6.0 1.8 6.5 1 1
73 1 . . . . . 6.0 1.8 8.5 1 1
74 1 . . . . . 6.0 1.8 8.4 1 1
75 1 . . . . . 6.0 1.8 6.5 1 1
76 1 . . . . . 6.0 1.8 8.5 1 1
77 1 . . . . . 6.0 1.8 8.5 1 1
78 1 . . . . . 6.0 1.8 6.5 1 1
79 1 . . . . . 2.8 1.8 4.1 1 1
80 1 . . . . . 3.9 1.8 4.3 1 1
81 1 . . . . . 6.0 1.8 8.5 1 1
82 1 . . . . . 6.0 1.8 8.5 1 1
83 1 . . . . . 5.0 1.8 5.5 1 1
84 1 . . . . . 3.9 1.8 4.3 1 1
85 1 . . . . . 6.0 1.8 8.5 1 1
86 1 . . . . . 6.0 1.8 8.5 1 1
87 1 . . . . . 5.0 1.8 5.5 1 1
88 1 . . . . . 3.9 1.8 4.3 1 1
89 1 . . . . . 2.8 1.8 4.1 1 1
90 1 . . . . . 3.9 1.8 4.3 1 1
91 1 . . . . . 6.0 1.8 7.4 1 1
92 1 . . . . . 6.0 1.8 8.4 1 1
93 1 . . . . . 6.0 1.8 9.3 1 1
94 1 . . . . . 6.0 1.8 9.4 1 1
95 1 . . . . . 3.9 1.8 5.3 1 1
96 1 . . . . . 2.8 1.8 4.1 1 1
97 1 . . . . . 3.9 1.8 6.3 1 1
98 1 . . . . . 5.0 1.8 7.5 1 1
99 1 . . . . . 3.9 1.8 4.3 1 1
100 1 . . . . . 2.8 1.8 5.1 1 1
101 1 . . . . . 5.0 1.8 7.5 1 1
102 1 . . . . . 3.9 1.8 4.3 1 1
103 1 . . . . . 3.9 1.8 4.3 1 1
104 1 . . . . . 5.0 1.8 5.5 1 1
105 1 . . . . . 3.9 1.8 4.3 1 1
106 1 . . . . . 6.0 1.8 6.5 1 1
107 1 . . . . . 2.8 1.8 4.1 1 1
108 1 . . . . . 5.0 1.8 5.5 1 1
109 1 . . . . . 2.8 1.8 6.1 1 1
110 1 . . . . . 3.9 1.8 7.3 1 1
111 1 . . . . . 3.9 1.8 5.3 1 1
112 1 . . . . . 3.9 1.8 6.3 1 1
113 1 . . . . . 5.0 1.8 7.5 1 1
114 1 . . . . . 3.9 1.8 6.3 1 1
115 1 . . . . . 3.9 1.8 6.3 1 1
116 1 . . . . . 5.0 1.8 6.5 1 1
117 1 . . . . . 5.0 1.8 6.5 1 1
118 1 . . . . . 3.9 1.8 6.3 1 1
119 1 . . . . . 3.9 1.8 6.3 1 1
120 1 . . . . . 5.0 1.8 8.5 1 1
121 1 . . . . . 3.9 1.8 7.3 1 1
122 1 . . . . . 5.0 1.8 8.5 1 1
123 1 . . . . . 5.0 1.8 7.5 1 1
124 1 . . . . . 5.0 1.8 7.5 1 1
125 1 . . . . . 6.0 1.8 8.5 1 1
126 1 . . . . . 3.9 0.8 6.3 1 1
127 1 . . . . . 5.0 1.8 7.5 1 1
128 1 . . . . . 5.0 1.8 8.5 1 1
129 1 . . . . . 3.9 1.8 7.3 1 1
130 1 . . . . . 5.0 1.8 8.5 1 1
131 1 . . . . . 6.0 1.8 8.5 1 1
132 1 . . . . . 6.0 1.8 8.5 1 1
133 1 . . . . . 6.0 1.8 8.5 1 1
134 1 . . . . . 3.9 1.8 5.3 1 1
135 1 . . . . . 5.0 1.8 6.5 1 1
136 1 . . . . . 3.9 1.8 5.3 1 1
137 1 . . . . . 3.9 1.8 4.3 1 1
138 1 . . . . . 5.0 1.8 5.5 1 1
139 1 . . . . . 3.9 1.8 5.3 1 1
140 1 . . . . . 5.0 1.8 6.5 1 1
141 1 . . . . . 3.9 1.8 4.3 1 1
142 1 . . . . . 5.0 1.8 5.5 1 1
143 1 . . . . . 3.9 1.8 4.3 1 1
144 1 . . . . . 2.8 1.8 4.1 1 1
145 1 . . . . . 5.0 1.8 5.5 1 1
146 1 . . . . . 3.9 1.8 5.3 1 1
147 1 . . . . . 5.0 1.8 6.5 1 1
148 1 . . . . . 2.8 1.8 3.1 1 1
149 1 . . . . . 2.8 1.8 4.1 1 1
150 1 . . . . . 3.9 1.8 5.3 1 1
151 1 . . . . . 3.9 1.8 5.3 1 1
152 1 . . . . . 3.9 1.8 4.3 1 1
153 1 . . . . . 3.9 1.8 4.3 1 1
154 1 . . . . . 2.8 1.8 3.1 1 1
155 1 . . . . . 3.9 1.8 4.3 1 1
156 1 . . . . . 3.9 1.8 4.3 1 1
157 1 . . . . . 3.9 1.8 5.3 1 1
158 1 . . . . . 3.9 1.8 5.3 1 1
159 1 . . . . . 5.0 1.8 5.5 1 1
160 1 . . . . . 2.8 1.8 3.1 1 1
161 1 . . . . . 2.8 1.8 4.1 1 1
162 1 . . . . . 2.8 1.8 3.1 1 1
163 1 . . . . . 5.0 1.8 5.5 1 1
164 1 . . . . . 5.0 1.8 7.9 1 1
165 1 . . . . . 3.9 1.8 4.3 1 1
166 1 . . . . . 5.0 1.8 5.5 1 1
167 1 . . . . . 3.9 1.8 4.3 1 1
168 1 . . . . . 2.8 1.8 4.1 1 1
169 1 . . . . . 3.9 1.8 6.7 1 1
170 1 . . . . . 2.8 1.8 4.1 1 1
171 1 . . . . . 2.8 1.8 3.1 1 1
172 1 . . . . . 2.8 1.8 4.1 1 1
173 1 . . . . . 3.9 1.8 4.3 1 1
174 1 . . . . . 5.0 1.8 5.5 1 1
175 1 . . . . . 3.9 1.8 4.3 1 1
176 1 . . . . . 3.9 1.8 4.3 1 1
177 1 . . . . . 2.8 1.8 5.5 1 1
178 1 . . . . . 3.9 1.8 4.3 1 1
179 1 . . . . . 2.8 1.8 6.5 1 1
180 1 . . . . . 2.8 1.8 3.1 1 1
181 1 . . . . . 2.8 1.8 4.1 1 1
182 1 . . . . . 3.9 1.8 5.3 1 1
183 1 . . . . . 3.9 1.8 5.3 1 1
184 1 . . . . . 2.8 1.8 3.1 1 1
185 1 . . . . . 5.0 1.8 5.5 1 1
186 1 . . . . . 3.9 1.8 6.7 1 1
187 1 . . . . . 3.9 1.8 4.3 1 1
188 1 . . . . . 3.9 1.8 4.3 1 1
189 1 . . . . . 2.8 1.8 4.1 1 1
190 1 . . . . . 3.9 1.8 4.3 1 1
191 1 . . . . . 2.8 1.8 3.1 1 1
192 1 . . . . . 2.8 1.8 4.1 1 1
193 1 . . . . . 3.9 1.8 4.3 1 1
194 1 . . . . . 5.0 1.8 7.9 1 1
195 1 . . . . . 5.0 1.8 5.5 1 1
196 1 . . . . . 2.8 1.8 4.1 1 1
197 1 . . . . . 3.9 1.8 5.3 1 1
198 1 . . . . . 3.9 1.8 4.3 1 1
199 1 . . . . . 3.9 1.8 5.3 1 1
200 1 . . . . . 3.9 1.8 4.3 1 1
201 1 . . . . . 5.0 1.8 5.5 1 1
202 1 . . . . . 3.9 1.8 5.3 1 1
203 1 . . . . . 5.0 1.8 8.9 1 1
204 1 . . . . . 5.0 1.8 6.5 1 1
205 1 . . . . . 5.0 1.8 6.5 1 1
206 1 . . . . . 5.0 1.8 6.5 1 1
207 1 . . . . . 5.0 1.8 6.5 1 1
208 1 . . . . . 5.0 1.8 6.5 1 1
209 1 . . . . . 5.0 1.8 6.5 1 1
210 1 . . . . . 2.8 1.8 3.1 1 1
211 1 . . . . . 2.8 1.8 4.1 1 1
212 1 . . . . . 3.9 1.8 6.7 1 1
213 1 . . . . . 3.9 1.8 4.3 1 1
214 1 . . . . . 3.9 1.8 4.3 1 1
215 1 . . . . . 5.0 1.8 5.5 1 1
216 1 . . . . . 2.8 1.8 5.5 1 1
217 1 . . . . . 2.8 1.8 3.1 1 1
218 1 . . . . . 3.9 1.8 4.3 1 1
219 1 . . . . . 2.8 1.8 4.1 1 1
220 1 . . . . . 3.9 1.8 5.3 1 1
221 1 . . . . . 3.9 1.8 6.7 1 1
222 1 . . . . . 3.9 1.8 6.7 1 1
223 1 . . . . . 5.0 1.8 7.9 1 1
224 1 . . . . . 5.0 1.8 7.9 1 1
225 1 . . . . . 3.9 1.8 4.3 1 1
226 1 . . . . . 2.8 1.8 3.1 1 1
227 1 . . . . . 2.8 1.8 4.1 1 1
228 1 . . . . . 5.0 1.8 5.5 1 1
229 1 . . . . . 2.8 1.8 4.1 1 1
230 1 . . . . . 3.9 1.8 5.3 1 1
231 1 . . . . . 3.9 1.8 6.3 1 1
232 1 . . . . . 3.9 1.8 5.3 1 1
233 1 . . . . . 3.9 1.8 5.3 1 1
234 1 . . . . . 2.8 1.8 4.1 1 1
235 1 . . . . . 3.9 1.8 4.3 1 1
236 1 . . . . . 3.9 1.8 4.3 1 1
237 1 . . . . . 5.0 1.8 5.5 1 1
238 1 . . . . . 2.8 1.8 3.1 1 1
239 1 . . . . . 3.9 1.8 4.3 1 1
240 1 . . . . . 5.0 1.8 5.5 1 1
241 1 . . . . . 5.0 1.8 6.5 1 1
242 1 . . . . . 5.0 1.8 6.5 1 1
243 1 . . . . . 5.0 1.8 5.5 1 1
244 1 . . . . . 5.0 1.8 5.5 1 1
stop_
save_
save_conformer_family_coord_set_1
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Entry_ID 1
_Conformer_family_coord_set.ID 1
loop_
_Atom_site.Model_ID
_Atom_site.ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Occupancy
_Atom_site.Uncertainty
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
1 1 1 1 1 GLN C C 7.518 -4.966 4.221 1.00 . A A . 1 GLN C 1 1
1 2 1 1 1 GLN CA C 8.779 -5.340 3.421 1.00 . A A . 1 GLN CA 1 1
1 3 1 1 1 GLN CB C 8.488 -6.484 2.441 1.00 . A A . 1 GLN CB 1 1
1 4 1 1 1 GLN CD C 7.195 -7.012 0.367 1.00 . A A . 1 GLN CD 1 1
1 5 1 1 1 GLN CG C 7.936 -5.913 1.132 1.00 . A A . 1 GLN CG 1 1
1 6 1 1 1 GLN H1 H 10.619 -6.265 3.775 1.00 . A A . 1 GLN H1 1 1
1 7 1 1 1 GLN H2 H 9.428 -6.628 4.931 1.00 . A A . 1 GLN H2 1 1
1 8 1 1 1 GLN H3 H 10.191 -5.111 4.941 1.00 . A A . 1 GLN H3 1 1
1 9 1 1 1 GLN HA H 9.150 -4.481 2.884 1.00 . A A . 1 GLN HA 1 1
1 10 1 1 1 GLN HB2 H 9.400 -7.026 2.240 1.00 . A A . 1 GLN HB2 1 1
1 11 1 1 1 GLN HB3 H 7.759 -7.153 2.875 1.00 . A A . 1 GLN HB3 1 1
1 12 1 1 1 GLN HE21 H 8.345 -6.870 -1.247 1.00 . A A . 1 GLN HE21 1 1
1 13 1 1 1 GLN HE22 H 7.113 -8.035 -1.333 1.00 . A A . 1 GLN HE22 1 1
1 14 1 1 1 GLN HG2 H 7.254 -5.104 1.351 1.00 . A A . 1 GLN HG2 1 1
1 15 1 1 1 GLN HG3 H 8.751 -5.543 0.528 1.00 . A A . 1 GLN HG3 1 1
1 16 1 1 1 GLN N N 9.834 -5.877 4.336 1.00 . A A . 1 GLN N 1 1
1 17 1 1 1 GLN NE2 N 7.583 -7.332 -0.838 1.00 . A A . 1 GLN NE2 1 1
1 18 1 1 1 GLN O O 6.416 -5.361 3.885 1.00 . A A . 1 GLN O 1 1
1 19 1 1 1 GLN OE1 O 6.251 -7.587 0.871 1.00 . A A . 1 GLN OE1 1 1
1 20 1 1 2 ALA C C 5.613 -2.776 5.390 1.00 . A A . 2 ALA C 1 1
1 21 1 1 2 ALA CA C 6.494 -3.806 6.109 1.00 . A A . 2 ALA CA 1 1
1 22 1 1 2 ALA CB C 7.065 -3.192 7.380 1.00 . A A . 2 ALA CB 1 1
1 23 1 1 2 ALA H H 8.572 -3.903 5.532 1.00 . A A . 2 ALA H 1 1
1 24 1 1 2 ALA HA H 5.909 -4.676 6.362 1.00 . A A . 2 ALA HA 1 1
1 25 1 1 2 ALA HB1 H 6.386 -3.378 8.199 1.00 . A A . 2 ALA HB1 1 1
1 26 1 1 2 ALA HB2 H 7.178 -2.127 7.242 1.00 . A A . 2 ALA HB2 1 1
1 27 1 1 2 ALA HB3 H 8.023 -3.635 7.596 1.00 . A A . 2 ALA HB3 1 1
1 28 1 1 2 ALA N N 7.675 -4.207 5.280 1.00 . A A . 2 ALA N 1 1
1 29 1 1 2 ALA O O 4.412 -2.940 5.360 1.00 . A A . 2 ALA O 1 1
1 30 1 1 3 PRO C C 4.608 -1.280 2.976 1.00 . A A . 3 PRO C 1 1
1 31 1 1 3 PRO CA C 5.426 -0.692 4.130 1.00 . A A . 3 PRO CA 1 1
1 32 1 1 3 PRO CB C 6.473 0.313 3.660 1.00 . A A . 3 PRO CB 1 1
1 33 1 1 3 PRO CD C 7.655 -1.437 4.766 1.00 . A A . 3 PRO CD 1 1
1 34 1 1 3 PRO CG C 7.737 -0.469 3.616 1.00 . A A . 3 PRO CG 1 1
1 35 1 1 3 PRO HA H 4.765 -0.215 4.832 1.00 . A A . 3 PRO HA 1 1
1 36 1 1 3 PRO HB2 H 6.221 0.687 2.677 1.00 . A A . 3 PRO HB2 1 1
1 37 1 1 3 PRO HB3 H 6.563 1.125 4.364 1.00 . A A . 3 PRO HB3 1 1
1 38 1 1 3 PRO HD2 H 8.230 -2.321 4.550 1.00 . A A . 3 PRO HD2 1 1
1 39 1 1 3 PRO HD3 H 7.984 -0.975 5.683 1.00 . A A . 3 PRO HD3 1 1
1 40 1 1 3 PRO HG2 H 7.811 -1.001 2.679 1.00 . A A . 3 PRO HG2 1 1
1 41 1 1 3 PRO HG3 H 8.583 0.183 3.748 1.00 . A A . 3 PRO HG3 1 1
1 42 1 1 3 PRO N N 6.219 -1.738 4.831 1.00 . A A . 3 PRO N 1 1
1 43 1 1 3 PRO O O 3.737 -0.626 2.441 1.00 . A A . 3 PRO O 1 1
1 44 1 1 4 ALA C C 2.539 -3.140 2.037 1.00 . A A . 4 ALA C 1 1
1 45 1 1 4 ALA CA C 3.998 -3.138 1.556 1.00 . A A . 4 ALA CA 1 1
1 46 1 1 4 ALA CB C 4.519 -4.566 1.398 1.00 . A A . 4 ALA CB 1 1
1 47 1 1 4 ALA H H 5.505 -3.055 3.086 1.00 . A A . 4 ALA H 1 1
1 48 1 1 4 ALA HA H 4.098 -2.592 0.633 1.00 . A A . 4 ALA HA 1 1
1 49 1 1 4 ALA HB1 H 5.495 -4.544 0.940 1.00 . A A . 4 ALA HB1 1 1
1 50 1 1 4 ALA HB2 H 3.840 -5.129 0.774 1.00 . A A . 4 ALA HB2 1 1
1 51 1 1 4 ALA HB3 H 4.586 -5.034 2.369 1.00 . A A . 4 ALA HB3 1 1
1 52 1 1 4 ALA N N 4.830 -2.522 2.623 1.00 . A A . 4 ALA N 1 1
1 53 1 1 4 ALA O O 1.614 -3.054 1.252 1.00 . A A . 4 ALA O 1 1
1 54 1 1 5 TYR C C 0.318 -1.828 3.680 1.00 . A A . 5 TYR C 1 1
1 55 1 1 5 TYR CA C 0.962 -3.201 3.911 1.00 . A A . 5 TYR CA 1 1
1 56 1 1 5 TYR CB C 1.137 -3.513 5.418 1.00 . A A . 5 TYR CB 1 1
1 57 1 1 5 TYR CD1 C -0.209 -1.652 6.492 1.00 . A A . 5 TYR CD1 1 1
1 58 1 1 5 TYR CD2 C 2.189 -1.702 6.841 1.00 . A A . 5 TYR CD2 1 1
1 59 1 1 5 TYR CE1 C -0.296 -0.497 7.278 1.00 . A A . 5 TYR CE1 1 1
1 60 1 1 5 TYR CE2 C 2.101 -0.548 7.625 1.00 . A A . 5 TYR CE2 1 1
1 61 1 1 5 TYR CG C 1.036 -2.257 6.271 1.00 . A A . 5 TYR CG 1 1
1 62 1 1 5 TYR CZ C 0.859 0.056 7.844 1.00 . A A . 5 TYR CZ 1 1
1 63 1 1 5 TYR H H 3.112 -3.269 3.946 1.00 . A A . 5 TYR H 1 1
1 64 1 1 5 TYR HA H 0.369 -3.966 3.450 1.00 . A A . 5 TYR HA 1 1
1 65 1 1 5 TYR HB2 H 0.372 -4.207 5.726 1.00 . A A . 5 TYR HB2 1 1
1 66 1 1 5 TYR HB3 H 2.106 -3.967 5.573 1.00 . A A . 5 TYR HB3 1 1
1 67 1 1 5 TYR HD1 H -1.100 -2.076 6.054 1.00 . A A . 5 TYR HD1 1 1
1 68 1 1 5 TYR HD2 H 3.146 -2.166 6.678 1.00 . A A . 5 TYR HD2 1 1
1 69 1 1 5 TYR HE1 H -1.254 -0.032 7.445 1.00 . A A . 5 TYR HE1 1 1
1 70 1 1 5 TYR HE2 H 2.995 -0.123 8.059 1.00 . A A . 5 TYR HE2 1 1
1 71 1 1 5 TYR HH H 0.352 0.957 9.452 1.00 . A A . 5 TYR HH 1 1
1 72 1 1 5 TYR N N 2.342 -3.216 3.341 1.00 . A A . 5 TYR N 1 1
1 73 1 1 5 TYR O O -0.855 -1.727 3.370 1.00 . A A . 5 TYR O 1 1
1 74 1 1 5 TYR OH O 0.771 1.195 8.620 1.00 . A A . 5 TYR OH 1 1
1 75 1 1 6 LYS C C 0.535 0.962 2.130 1.00 . A A . 6 LYS C 1 1
1 76 1 1 6 LYS CA C 0.518 0.596 3.621 1.00 . A A . 6 LYS CA 1 1
1 77 1 1 6 LYS CB C 1.403 1.554 4.441 1.00 . A A . 6 LYS CB 1 1
1 78 1 1 6 LYS CD C 3.724 2.478 4.724 1.00 . A A . 6 LYS CD 1 1
1 79 1 1 6 LYS CE C 3.815 2.172 6.224 1.00 . A A . 6 LYS CE 1 1
1 80 1 1 6 LYS CG C 2.873 1.414 4.027 1.00 . A A . 6 LYS CG 1 1
1 81 1 1 6 LYS H H 2.026 -0.888 4.076 1.00 . A A . 6 LYS H 1 1
1 82 1 1 6 LYS HA H -0.493 0.628 3.993 1.00 . A A . 6 LYS HA 1 1
1 83 1 1 6 LYS HB2 H 1.079 2.570 4.272 1.00 . A A . 6 LYS HB2 1 1
1 84 1 1 6 LYS HB3 H 1.304 1.319 5.491 1.00 . A A . 6 LYS HB3 1 1
1 85 1 1 6 LYS HD2 H 4.717 2.474 4.297 1.00 . A A . 6 LYS HD2 1 1
1 86 1 1 6 LYS HD3 H 3.275 3.447 4.582 1.00 . A A . 6 LYS HD3 1 1
1 87 1 1 6 LYS HE2 H 2.868 2.377 6.706 1.00 . A A . 6 LYS HE2 1 1
1 88 1 1 6 LYS HE3 H 4.103 1.144 6.381 1.00 . A A . 6 LYS HE3 1 1
1 89 1 1 6 LYS HG2 H 3.229 0.436 4.306 1.00 . A A . 6 LYS HG2 1 1
1 90 1 1 6 LYS HG3 H 2.957 1.535 2.958 1.00 . A A . 6 LYS HG3 1 1
1 91 1 1 6 LYS HZ1 H 4.797 3.154 7.780 1.00 . A A . 6 LYS HZ1 1 1
1 92 1 1 6 LYS HZ2 H 4.760 4.032 6.326 1.00 . A A . 6 LYS HZ2 1 1
1 93 1 1 6 LYS HZ3 H 5.812 2.709 6.496 1.00 . A A . 6 LYS HZ3 1 1
1 94 1 1 6 LYS N N 1.082 -0.774 3.829 1.00 . A A . 6 LYS N 1 1
1 95 1 1 6 LYS NZ N 4.876 3.086 6.745 1.00 . A A . 6 LYS NZ 1 1
1 96 1 1 6 LYS O O -0.280 1.739 1.671 1.00 . A A . 6 LYS O 1 1
1 97 1 1 7 LYS C C 0.255 0.119 -0.781 1.00 . A A . 7 LYS C 1 1
1 98 1 1 7 LYS CA C 1.494 0.702 -0.094 1.00 . A A . 7 LYS CA 1 1
1 99 1 1 7 LYS CB C 2.767 0.021 -0.608 1.00 . A A . 7 LYS CB 1 1
1 100 1 1 7 LYS CD C 3.896 1.117 -2.551 1.00 . A A . 7 LYS CD 1 1
1 101 1 1 7 LYS CE C 4.815 -0.015 -3.023 1.00 . A A . 7 LYS CE 1 1
1 102 1 1 7 LYS CG C 3.787 1.084 -1.025 1.00 . A A . 7 LYS CG 1 1
1 103 1 1 7 LYS H H 2.084 -0.235 1.758 1.00 . A A . 7 LYS H 1 1
1 104 1 1 7 LYS HA H 1.550 1.767 -0.256 1.00 . A A . 7 LYS HA 1 1
1 105 1 1 7 LYS HB2 H 3.188 -0.595 0.174 1.00 . A A . 7 LYS HB2 1 1
1 106 1 1 7 LYS HB3 H 2.525 -0.597 -1.459 1.00 . A A . 7 LYS HB3 1 1
1 107 1 1 7 LYS HD2 H 2.914 0.990 -2.984 1.00 . A A . 7 LYS HD2 1 1
1 108 1 1 7 LYS HD3 H 4.307 2.065 -2.861 1.00 . A A . 7 LYS HD3 1 1
1 109 1 1 7 LYS HE2 H 5.632 -0.148 -2.327 1.00 . A A . 7 LYS HE2 1 1
1 110 1 1 7 LYS HE3 H 4.257 -0.933 -3.129 1.00 . A A . 7 LYS HE3 1 1
1 111 1 1 7 LYS HG2 H 3.467 2.051 -0.665 1.00 . A A . 7 LYS HG2 1 1
1 112 1 1 7 LYS HG3 H 4.750 0.844 -0.601 1.00 . A A . 7 LYS HG3 1 1
1 113 1 1 7 LYS HZ1 H 5.953 -0.307 -4.743 1.00 . A A . 7 LYS HZ1 1 1
1 114 1 1 7 LYS HZ2 H 5.865 1.313 -4.241 1.00 . A A . 7 LYS HZ2 1 1
1 115 1 1 7 LYS HZ3 H 4.532 0.581 -5.000 1.00 . A A . 7 LYS HZ3 1 1
1 116 1 1 7 LYS N N 1.443 0.397 1.369 1.00 . A A . 7 LYS N 1 1
1 117 1 1 7 LYS NZ N 5.329 0.427 -4.352 1.00 . A A . 7 LYS NZ 1 1
1 118 1 1 7 LYS O O -0.407 0.785 -1.555 1.00 . A A . 7 LYS O 1 1
1 119 1 1 8 ALA C C -2.541 -0.980 -0.715 1.00 . A A . 8 ALA C 1 1
1 120 1 1 8 ALA CA C -1.275 -1.758 -1.102 1.00 . A A . 8 ALA CA 1 1
1 121 1 1 8 ALA CB C -1.317 -3.174 -0.518 1.00 . A A . 8 ALA CB 1 1
1 122 1 1 8 ALA H H 0.481 -1.626 0.149 1.00 . A A . 8 ALA H 1 1
1 123 1 1 8 ALA HA H -1.173 -1.804 -2.175 1.00 . A A . 8 ALA HA 1 1
1 124 1 1 8 ALA HB1 H -0.604 -3.798 -1.034 1.00 . A A . 8 ALA HB1 1 1
1 125 1 1 8 ALA HB2 H -2.309 -3.583 -0.639 1.00 . A A . 8 ALA HB2 1 1
1 126 1 1 8 ALA HB3 H -1.069 -3.137 0.534 1.00 . A A . 8 ALA HB3 1 1
1 127 1 1 8 ALA N N -0.069 -1.119 -0.487 1.00 . A A . 8 ALA N 1 1
1 128 1 1 8 ALA O O -3.375 -0.683 -1.551 1.00 . A A . 8 ALA O 1 1
1 129 1 1 9 ALA C C -3.968 1.463 0.260 1.00 . A A . 9 ALA C 1 1
1 130 1 1 9 ALA CA C -3.884 0.123 1.001 1.00 . A A . 9 ALA CA 1 1
1 131 1 1 9 ALA CB C -3.675 0.351 2.499 1.00 . A A . 9 ALA CB 1 1
1 132 1 1 9 ALA H H -1.989 -0.893 1.196 1.00 . A A . 9 ALA H 1 1
1 133 1 1 9 ALA HA H -4.780 -0.453 0.838 1.00 . A A . 9 ALA HA 1 1
1 134 1 1 9 ALA HB1 H -3.685 -0.598 3.014 1.00 . A A . 9 ALA HB1 1 1
1 135 1 1 9 ALA HB2 H -4.468 0.977 2.882 1.00 . A A . 9 ALA HB2 1 1
1 136 1 1 9 ALA HB3 H -2.724 0.838 2.661 1.00 . A A . 9 ALA HB3 1 1
1 137 1 1 9 ALA N N -2.681 -0.644 0.547 1.00 . A A . 9 ALA N 1 1
1 138 1 1 9 ALA O O -5.031 1.886 -0.150 1.00 . A A . 9 ALA O 1 1
1 139 1 1 10 LYS C C -3.318 3.247 -2.083 1.00 . A A . 10 LYS C 1 1
1 140 1 1 10 LYS CA C -2.854 3.439 -0.636 1.00 . A A . 10 LYS CA 1 1
1 141 1 1 10 LYS CB C -1.404 3.928 -0.596 1.00 . A A . 10 LYS CB 1 1
1 142 1 1 10 LYS CD C 0.273 5.175 0.769 1.00 . A A . 10 LYS CD 1 1
1 143 1 1 10 LYS CE C 0.447 6.259 1.838 1.00 . A A . 10 LYS CE 1 1
1 144 1 1 10 LYS CG C -1.214 4.856 0.603 1.00 . A A . 10 LYS CG 1 1
1 145 1 1 10 LYS H H -2.006 1.761 0.424 1.00 . A A . 10 LYS H 1 1
1 146 1 1 10 LYS HA H -3.494 4.143 -0.128 1.00 . A A . 10 LYS HA 1 1
1 147 1 1 10 LYS HB2 H -0.740 3.080 -0.506 1.00 . A A . 10 LYS HB2 1 1
1 148 1 1 10 LYS HB3 H -1.180 4.466 -1.505 1.00 . A A . 10 LYS HB3 1 1
1 149 1 1 10 LYS HD2 H 0.800 4.281 1.072 1.00 . A A . 10 LYS HD2 1 1
1 150 1 1 10 LYS HD3 H 0.674 5.529 -0.169 1.00 . A A . 10 LYS HD3 1 1
1 151 1 1 10 LYS HE2 H -0.345 6.189 2.571 1.00 . A A . 10 LYS HE2 1 1
1 152 1 1 10 LYS HE3 H 1.410 6.164 2.314 1.00 . A A . 10 LYS HE3 1 1
1 153 1 1 10 LYS HG2 H -1.765 5.771 0.440 1.00 . A A . 10 LYS HG2 1 1
1 154 1 1 10 LYS HG3 H -1.578 4.370 1.496 1.00 . A A . 10 LYS HG3 1 1
1 155 1 1 10 LYS HZ1 H 1.122 7.597 0.388 1.00 . A A . 10 LYS HZ1 1 1
1 156 1 1 10 LYS HZ2 H 0.475 8.342 1.771 1.00 . A A . 10 LYS HZ2 1 1
1 157 1 1 10 LYS HZ3 H -0.558 7.628 0.625 1.00 . A A . 10 LYS HZ3 1 1
1 158 1 1 10 LYS N N -2.850 2.127 0.084 1.00 . A A . 10 LYS N 1 1
1 159 1 1 10 LYS NZ N 0.365 7.553 1.100 1.00 . A A . 10 LYS NZ 1 1
1 160 1 1 10 LYS O O -4.156 3.978 -2.571 1.00 . A A . 10 LYS O 1 1
1 161 1 1 11 LYS C C -4.718 1.788 -4.253 1.00 . A A . 11 LYS C 1 1
1 162 1 1 11 LYS CA C -3.203 2.015 -4.185 1.00 . A A . 11 LYS CA 1 1
1 163 1 1 11 LYS CB C -2.445 0.758 -4.621 1.00 . A A . 11 LYS CB 1 1
1 164 1 1 11 LYS CD C -1.166 1.816 -6.499 1.00 . A A . 11 LYS CD 1 1
1 165 1 1 11 LYS CE C 0.158 1.665 -7.258 1.00 . A A . 11 LYS CE 1 1
1 166 1 1 11 LYS CG C -1.051 1.149 -5.124 1.00 . A A . 11 LYS CG 1 1
1 167 1 1 11 LYS H H -2.114 1.682 -2.347 1.00 . A A . 11 LYS H 1 1
1 168 1 1 11 LYS HA H -2.922 2.850 -4.808 1.00 . A A . 11 LYS HA 1 1
1 169 1 1 11 LYS HB2 H -2.350 0.085 -3.781 1.00 . A A . 11 LYS HB2 1 1
1 170 1 1 11 LYS HB3 H -2.987 0.267 -5.415 1.00 . A A . 11 LYS HB3 1 1
1 171 1 1 11 LYS HD2 H -1.961 1.346 -7.061 1.00 . A A . 11 LYS HD2 1 1
1 172 1 1 11 LYS HD3 H -1.388 2.865 -6.371 1.00 . A A . 11 LYS HD3 1 1
1 173 1 1 11 LYS HE2 H 0.983 1.990 -6.639 1.00 . A A . 11 LYS HE2 1 1
1 174 1 1 11 LYS HE3 H 0.299 0.640 -7.566 1.00 . A A . 11 LYS HE3 1 1
1 175 1 1 11 LYS HG2 H -0.598 1.838 -4.425 1.00 . A A . 11 LYS HG2 1 1
1 176 1 1 11 LYS HG3 H -0.438 0.264 -5.205 1.00 . A A . 11 LYS HG3 1 1
1 177 1 1 11 LYS HZ1 H 0.922 2.550 -8.983 1.00 . A A . 11 LYS HZ1 1 1
1 178 1 1 11 LYS HZ2 H -0.203 3.515 -8.152 1.00 . A A . 11 LYS HZ2 1 1
1 179 1 1 11 LYS HZ3 H -0.732 2.186 -9.070 1.00 . A A . 11 LYS HZ3 1 1
1 180 1 1 11 LYS N N -2.785 2.262 -2.768 1.00 . A A . 11 LYS N 1 1
1 181 1 1 11 LYS NZ N 0.026 2.545 -8.456 1.00 . A A . 11 LYS NZ 1 1
1 182 1 1 11 LYS O O -5.376 2.230 -5.176 1.00 . A A . 11 LYS O 1 1
1 183 1 1 12 LEU C C -7.484 2.235 -3.151 1.00 . A A . 12 LEU C 1 1
1 184 1 1 12 LEU CA C -6.757 0.891 -3.264 1.00 . A A . 12 LEU CA 1 1
1 185 1 1 12 LEU CB C -7.030 0.030 -2.030 1.00 . A A . 12 LEU CB 1 1
1 186 1 1 12 LEU CD1 C -6.374 -2.103 -0.916 1.00 . A A . 12 LEU CD1 1 1
1 187 1 1 12 LEU CD2 C -7.415 -2.148 -3.188 1.00 . A A . 12 LEU CD2 1 1
1 188 1 1 12 LEU CG C -6.477 -1.377 -2.256 1.00 . A A . 12 LEU CG 1 1
1 189 1 1 12 LEU H H -4.728 0.791 -2.527 1.00 . A A . 12 LEU H 1 1
1 190 1 1 12 LEU HA H -7.061 0.369 -4.157 1.00 . A A . 12 LEU HA 1 1
1 191 1 1 12 LEU HB2 H -6.550 0.473 -1.169 1.00 . A A . 12 LEU HB2 1 1
1 192 1 1 12 LEU HB3 H -8.094 -0.027 -1.858 1.00 . A A . 12 LEU HB3 1 1
1 193 1 1 12 LEU HD11 H -5.833 -1.486 -0.214 1.00 . A A . 12 LEU HD11 1 1
1 194 1 1 12 LEU HD12 H -5.849 -3.037 -1.052 1.00 . A A . 12 LEU HD12 1 1
1 195 1 1 12 LEU HD13 H -7.365 -2.298 -0.535 1.00 . A A . 12 LEU HD13 1 1
1 196 1 1 12 LEU HD21 H -7.132 -3.189 -3.201 1.00 . A A . 12 LEU HD21 1 1
1 197 1 1 12 LEU HD22 H -7.342 -1.742 -4.187 1.00 . A A . 12 LEU HD22 1 1
1 198 1 1 12 LEU HD23 H -8.431 -2.054 -2.834 1.00 . A A . 12 LEU HD23 1 1
1 199 1 1 12 LEU HG H -5.496 -1.309 -2.705 1.00 . A A . 12 LEU HG 1 1
1 200 1 1 12 LEU N N -5.278 1.123 -3.269 1.00 . A A . 12 LEU N 1 1
1 201 1 1 12 LEU O O -8.512 2.448 -3.765 1.00 . A A . 12 LEU O 1 1
1 202 1 1 13 ALA C C -7.275 5.345 -3.480 1.00 . A A . 13 ALA C 1 1
1 203 1 1 13 ALA CA C -7.574 4.490 -2.237 1.00 . A A . 13 ALA CA 1 1
1 204 1 1 13 ALA CB C -6.933 5.105 -0.990 1.00 . A A . 13 ALA CB 1 1
1 205 1 1 13 ALA H H -6.101 2.949 -1.910 1.00 . A A . 13 ALA H 1 1
1 206 1 1 13 ALA HA H -8.638 4.388 -2.095 1.00 . A A . 13 ALA HA 1 1
1 207 1 1 13 ALA HB1 H -5.871 4.906 -0.995 1.00 . A A . 13 ALA HB1 1 1
1 208 1 1 13 ALA HB2 H -7.376 4.672 -0.106 1.00 . A A . 13 ALA HB2 1 1
1 209 1 1 13 ALA HB3 H -7.098 6.173 -0.990 1.00 . A A . 13 ALA HB3 1 1
1 210 1 1 13 ALA N N -6.939 3.146 -2.382 1.00 . A A . 13 ALA N 1 1
1 211 1 1 13 ALA O O -8.027 6.238 -3.821 1.00 . A A . 13 ALA O 1 1
1 212 1 1 14 GLU C C -6.320 5.106 -6.648 1.00 . A A . 14 GLU C 1 1
1 213 1 1 14 GLU CA C -5.831 5.845 -5.389 1.00 . A A . 14 GLU CA 1 1
1 214 1 1 14 GLU CB C -4.297 5.928 -5.392 1.00 . A A . 14 GLU CB 1 1
1 215 1 1 14 GLU CD C -3.903 8.061 -4.133 1.00 . A A . 14 GLU CD 1 1
1 216 1 1 14 GLU CG C -3.793 6.536 -4.078 1.00 . A A . 14 GLU CG 1 1
1 217 1 1 14 GLU H H -5.600 4.337 -3.866 1.00 . A A . 14 GLU H 1 1
1 218 1 1 14 GLU HA H -6.254 6.836 -5.344 1.00 . A A . 14 GLU HA 1 1
1 219 1 1 14 GLU HB2 H -3.887 4.936 -5.507 1.00 . A A . 14 GLU HB2 1 1
1 220 1 1 14 GLU HB3 H -3.975 6.546 -6.218 1.00 . A A . 14 GLU HB3 1 1
1 221 1 1 14 GLU HG2 H -4.385 6.162 -3.257 1.00 . A A . 14 GLU HG2 1 1
1 222 1 1 14 GLU HG3 H -2.761 6.258 -3.930 1.00 . A A . 14 GLU HG3 1 1
1 223 1 1 14 GLU N N -6.185 5.066 -4.160 1.00 . A A . 14 GLU N 1 1
1 224 1 1 14 GLU O O -5.784 5.285 -7.726 1.00 . A A . 14 GLU O 1 1
1 225 1 1 14 GLU OE1 O -3.016 8.679 -4.698 1.00 . A A . 14 GLU OE1 1 1
1 226 1 1 14 GLU OE2 O -4.870 8.584 -3.605 1.00 . A A . 14 GLU OE2 1 1
1 227 1 1 15 SER C C -8.505 4.482 -8.708 1.00 . A A . 15 SER C 1 1
1 228 1 1 15 SER CA C -7.852 3.521 -7.702 1.00 . A A . 15 SER CA 1 1
1 229 1 1 15 SER CB C -8.894 2.553 -7.135 1.00 . A A . 15 SER CB 1 1
1 230 1 1 15 SER H H -7.743 4.145 -5.639 1.00 . A A . 15 SER H 1 1
1 231 1 1 15 SER HA H -7.055 2.966 -8.172 1.00 . A A . 15 SER HA 1 1
1 232 1 1 15 SER HB2 H -8.473 2.015 -6.302 1.00 . A A . 15 SER HB2 1 1
1 233 1 1 15 SER HB3 H -9.758 3.112 -6.800 1.00 . A A . 15 SER HB3 1 1
1 234 1 1 15 SER HG H -9.746 2.107 -8.831 1.00 . A A . 15 SER HG 1 1
1 235 1 1 15 SER N N -7.330 4.275 -6.517 1.00 . A A . 15 SER N 1 1
1 236 1 1 15 SER O O -9.220 5.372 -8.273 1.00 . A A . 15 SER O 1 1
1 237 1 1 15 SER OXT O -8.281 4.307 -9.896 1.00 . A A . 15 SER OXT 1 1
1 238 1 1 15 SER OG O -9.277 1.625 -8.145 1.00 . A A . 15 SER OG 1 1
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