NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
37512 |
1pqr   |
5869 | cing | 2-parsed | STAR | entry | full | 388 |
data_1pqr_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1pqr
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project" NMR . parsed_1pqr 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1pqr
_Entry.Title "Original constraint list(s)"
_Entry.Version_type original
_Entry.Submission_date .
_Entry.Accession_date .
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination .
_Entry.NMR_STAR_version 3.1
_Entry.Original_NMR_STAR_version .
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 1pqr "Master copy" parsed_1pqr
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1pqr
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 1pqr.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1pqr 1
1 1pqr.mr . . DISCOVER 2 stereochemistry chirality "Not applicable" 0 parsed_1pqr 1
1 1pqr.mr . . DISCOVER 3 distance "disulfide bond" simple 9 parsed_1pqr 1
1 1pqr.mr . . DISCOVER 4 distance NOE simple 357 parsed_1pqr 1
1 1pqr.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1pqr 1
1 1pqr.mr . . DISCOVER 6 "dihedral angle" "Not applicable" "Not applicable" 22 parsed_1pqr 1
1 1pqr.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1pqr 1
stop_
save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1pqr
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
*HEADER TOXIN 18-JUN-03 1PQR
*TITLE SOLUTION CONFORMATION OF ALPHAA-CONOTOXIN EIVA
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: ALPHA-A-CONOTOXIN EIVA;
*COMPND 3 CHAIN: A;
*COMPND 4 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN CONUS
*SOURCE 4 ERMINEUS VENOM.
*KEYWDS ALPHA-HELIX, TWO DISULFIDE BONDS, C-TERM AMIDATION
*EXPDTA NMR, 18 STRUCTURES
*AUTHOR S.-W.CHI, K.-H.PARK, J.-E.SUK, B.M.OLIVERA, J.M.MCINTOSH,
*AUTHOR 2 K.-H.HAN
*REVDAT 1 04-NOV-03 1PQR 0
;
save_
save_Discover_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1pqr
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "disulfide bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
_Distance_constraint_list.Details "Generated by Wattos"
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 . . . parsed_1pqr 1
2 1 . . . parsed_1pqr 1
3 1 . . . parsed_1pqr 1
4 1 . . . parsed_1pqr 1
5 1 . . . parsed_1pqr 1
6 1 . . . parsed_1pqr 1
7 1 . . . parsed_1pqr 1
8 1 . . . parsed_1pqr 1
9 1 . . . parsed_1pqr 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.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_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 2 CYS SG parsed_1pqr 1
1 1 2 . . . . . . . . 1 16 CYS SG parsed_1pqr 1
2 1 1 . . . . . . . . 1 2 CYS CB parsed_1pqr 1
2 1 2 . . . . . . . . 1 16 CYS SG parsed_1pqr 1
3 1 1 . . . . . . . . 1 2 CYS SG parsed_1pqr 1
3 1 2 . . . . . . . . 1 16 CYS CB parsed_1pqr 1
4 1 1 . . . . . . . . 1 3 CYS SG parsed_1pqr 1
4 1 2 . . . . . . . . 1 11 CYS SG parsed_1pqr 1
5 1 1 . . . . . . . . 1 3 CYS CB parsed_1pqr 1
5 1 2 . . . . . . . . 1 11 CYS SG parsed_1pqr 1
6 1 1 . . . . . . . . 1 3 CYS SG parsed_1pqr 1
6 1 2 . . . . . . . . 1 11 CYS CB parsed_1pqr 1
7 1 1 . . . . . . . . 1 14 CYS SG parsed_1pqr 1
7 1 2 . . . . . . . . 1 24 CYS SG parsed_1pqr 1
8 1 1 . . . . . . . . 1 14 CYS CB parsed_1pqr 1
8 1 2 . . . . . . . . 1 24 CYS SG parsed_1pqr 1
9 1 1 . . . . . . . . 1 14 CYS SG parsed_1pqr 1
9 1 2 . . . . . . . . 1 24 CYS CB parsed_1pqr 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 . . . . . . 1.800 2.300 parsed_1pqr 1
2 1 . . . . . . 2.500 3.600 parsed_1pqr 1
3 1 . . . . . . 2.500 3.600 parsed_1pqr 1
4 1 . . . . . . 1.800 2.300 parsed_1pqr 1
5 1 . . . . . . 2.500 3.600 parsed_1pqr 1
6 1 . . . . . . 2.500 3.600 parsed_1pqr 1
7 1 . . . . . . 1.800 2.300 parsed_1pqr 1
8 1 . . . . . . 2.500 3.600 parsed_1pqr 1
9 1 . . . . . . 2.500 3.600 parsed_1pqr 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1
;
NOE_distance
Disulfide bonds
;
1 1 2 16 parsed_1pqr 1
stop_
save_
save_Discover_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1pqr
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
_Distance_constraint_list.Details "Generated by Wattos"
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 . . . parsed_1pqr 2
2 1 . . . parsed_1pqr 2
3 1 . . . parsed_1pqr 2
4 1 . . . parsed_1pqr 2
5 1 . . . parsed_1pqr 2
6 1 . . . parsed_1pqr 2
7 1 . . . parsed_1pqr 2
8 1 . . . parsed_1pqr 2
9 1 . . . parsed_1pqr 2
10 1 . . . parsed_1pqr 2
11 1 . . . parsed_1pqr 2
12 1 . . . parsed_1pqr 2
13 1 . . . parsed_1pqr 2
14 1 . . . parsed_1pqr 2
15 1 . . . parsed_1pqr 2
16 1 . . . parsed_1pqr 2
17 1 . . . parsed_1pqr 2
18 1 . . . parsed_1pqr 2
19 1 . . . parsed_1pqr 2
20 1 . . . parsed_1pqr 2
21 1 . . . parsed_1pqr 2
22 1 . . . parsed_1pqr 2
23 1 . . . parsed_1pqr 2
24 1 . . . parsed_1pqr 2
25 1 . . . parsed_1pqr 2
26 1 . . . parsed_1pqr 2
27 1 . . . parsed_1pqr 2
28 1 . . . parsed_1pqr 2
29 1 . . . parsed_1pqr 2
30 1 . . . parsed_1pqr 2
31 1 . . . parsed_1pqr 2
32 1 . . . parsed_1pqr 2
33 1 . . . parsed_1pqr 2
34 1 . . . parsed_1pqr 2
35 1 . . . parsed_1pqr 2
36 1 . . . parsed_1pqr 2
37 1 . . . parsed_1pqr 2
38 1 . . . parsed_1pqr 2
39 1 . . . parsed_1pqr 2
40 1 . . . parsed_1pqr 2
41 1 . . . parsed_1pqr 2
42 1 . . . parsed_1pqr 2
43 1 . . . parsed_1pqr 2
44 1 . . . parsed_1pqr 2
45 1 . . . parsed_1pqr 2
46 1 . . . parsed_1pqr 2
47 1 . . . parsed_1pqr 2
48 1 . . . parsed_1pqr 2
49 1 . . . parsed_1pqr 2
50 1 . . . parsed_1pqr 2
51 1 . . . parsed_1pqr 2
52 1 . . . parsed_1pqr 2
53 1 . . . parsed_1pqr 2
54 1 . . . parsed_1pqr 2
55 1 . . . parsed_1pqr 2
56 1 . . . parsed_1pqr 2
57 1 . . . parsed_1pqr 2
58 1 . . . parsed_1pqr 2
59 1 . . . parsed_1pqr 2
60 1 . . . parsed_1pqr 2
61 1 . . . parsed_1pqr 2
62 1 . . . parsed_1pqr 2
63 1 . . . parsed_1pqr 2
64 1 . . . parsed_1pqr 2
65 1 . . . parsed_1pqr 2
66 1 . . . parsed_1pqr 2
67 1 . . . parsed_1pqr 2
68 1 . . . parsed_1pqr 2
69 1 . . . parsed_1pqr 2
70 1 . . . parsed_1pqr 2
71 1 . . . parsed_1pqr 2
72 1 . . . parsed_1pqr 2
73 1 . . . parsed_1pqr 2
74 1 . . . parsed_1pqr 2
75 1 . . . parsed_1pqr 2
76 1 . . . parsed_1pqr 2
77 1 . . . parsed_1pqr 2
78 1 . . . parsed_1pqr 2
79 1 . . . parsed_1pqr 2
80 1 . . . parsed_1pqr 2
81 1 . . . parsed_1pqr 2
82 1 . . . parsed_1pqr 2
83 1 . . . parsed_1pqr 2
84 1 . . . parsed_1pqr 2
85 1 . . . parsed_1pqr 2
86 1 . . . parsed_1pqr 2
87 1 . . . parsed_1pqr 2
88 1 . . . parsed_1pqr 2
89 1 . . . parsed_1pqr 2
90 1 . . . parsed_1pqr 2
91 1 . . . parsed_1pqr 2
92 1 . . . parsed_1pqr 2
93 1 . . . parsed_1pqr 2
94 1 . . . parsed_1pqr 2
95 1 . . . parsed_1pqr 2
96 1 . . . parsed_1pqr 2
97 1 . . . parsed_1pqr 2
98 1 . . . parsed_1pqr 2
99 1 . . . parsed_1pqr 2
100 1 . . . parsed_1pqr 2
101 1 . . . parsed_1pqr 2
102 1 . . . parsed_1pqr 2
103 1 . . . parsed_1pqr 2
104 1 . . . parsed_1pqr 2
105 1 . . . parsed_1pqr 2
106 1 . . . parsed_1pqr 2
107 1 . . . parsed_1pqr 2
108 1 . . . parsed_1pqr 2
109 1 . . . parsed_1pqr 2
110 1 . . . parsed_1pqr 2
111 1 . . . parsed_1pqr 2
112 1 . . . parsed_1pqr 2
113 1 . . . parsed_1pqr 2
114 1 . . . parsed_1pqr 2
115 1 . . . parsed_1pqr 2
116 1 . . . parsed_1pqr 2
117 1 . . . parsed_1pqr 2
118 1 . . . parsed_1pqr 2
119 1 . . . parsed_1pqr 2
120 1 . . . parsed_1pqr 2
121 1 . . . parsed_1pqr 2
122 1 . . . parsed_1pqr 2
123 1 . . . parsed_1pqr 2
124 1 . . . parsed_1pqr 2
125 1 . . . parsed_1pqr 2
126 1 . . . parsed_1pqr 2
127 1 . . . parsed_1pqr 2
128 1 . . . parsed_1pqr 2
129 1 . . . parsed_1pqr 2
130 1 . . . parsed_1pqr 2
131 1 . . . parsed_1pqr 2
132 1 . . . parsed_1pqr 2
133 1 . . . parsed_1pqr 2
134 1 . . . parsed_1pqr 2
135 1 . . . parsed_1pqr 2
136 1 . . . parsed_1pqr 2
137 1 . . . parsed_1pqr 2
138 1 . . . parsed_1pqr 2
139 1 . . . parsed_1pqr 2
140 1 . . . parsed_1pqr 2
141 1 . . . parsed_1pqr 2
142 1 . . . parsed_1pqr 2
143 1 . . . parsed_1pqr 2
144 1 . . . parsed_1pqr 2
145 1 . . . parsed_1pqr 2
146 1 . . . parsed_1pqr 2
147 1 . . . parsed_1pqr 2
148 1 . . . parsed_1pqr 2
149 1 . . . parsed_1pqr 2
150 1 . . . parsed_1pqr 2
151 1 . . . parsed_1pqr 2
152 1 . . . parsed_1pqr 2
153 1 . . . parsed_1pqr 2
154 1 . . . parsed_1pqr 2
155 1 . . . parsed_1pqr 2
156 1 . . . parsed_1pqr 2
157 1 . . . parsed_1pqr 2
158 1 . . . parsed_1pqr 2
159 1 . . . parsed_1pqr 2
160 1 . . . parsed_1pqr 2
161 1 . . . parsed_1pqr 2
162 1 . . . parsed_1pqr 2
163 1 . . . parsed_1pqr 2
164 1 . . . parsed_1pqr 2
165 1 . . . parsed_1pqr 2
166 1 . . . parsed_1pqr 2
167 1 . . . parsed_1pqr 2
168 1 . . . parsed_1pqr 2
169 1 . . . parsed_1pqr 2
170 1 . . . parsed_1pqr 2
171 1 . . . parsed_1pqr 2
172 1 . . . parsed_1pqr 2
173 1 . . . parsed_1pqr 2
174 1 . . . parsed_1pqr 2
175 1 . . . parsed_1pqr 2
176 1 . . . parsed_1pqr 2
177 1 . . . parsed_1pqr 2
178 1 . . . parsed_1pqr 2
179 1 . . . parsed_1pqr 2
180 1 . . . parsed_1pqr 2
181 1 . . . parsed_1pqr 2
182 1 . . . parsed_1pqr 2
183 1 . . . parsed_1pqr 2
184 1 . . . parsed_1pqr 2
185 1 . . . parsed_1pqr 2
186 1 . . . parsed_1pqr 2
187 1 . . . parsed_1pqr 2
188 1 . . . parsed_1pqr 2
189 1 . . . parsed_1pqr 2
190 1 . . . parsed_1pqr 2
191 1 . . . parsed_1pqr 2
192 1 . . . parsed_1pqr 2
193 1 . . . parsed_1pqr 2
194 1 . . . parsed_1pqr 2
195 1 . . . parsed_1pqr 2
196 1 . . . parsed_1pqr 2
197 1 . . . parsed_1pqr 2
198 1 . . . parsed_1pqr 2
199 1 . . . parsed_1pqr 2
200 1 . . . parsed_1pqr 2
201 1 . . . parsed_1pqr 2
202 1 . . . parsed_1pqr 2
203 1 . . . parsed_1pqr 2
204 1 . . . parsed_1pqr 2
205 1 . . . parsed_1pqr 2
206 1 . . . parsed_1pqr 2
207 1 . . . parsed_1pqr 2
208 1 . . . parsed_1pqr 2
209 1 . . . parsed_1pqr 2
210 1 . . . parsed_1pqr 2
211 1 . . . parsed_1pqr 2
212 1 . . . parsed_1pqr 2
213 1 . . . parsed_1pqr 2
214 1 . . . parsed_1pqr 2
215 1 . . . parsed_1pqr 2
216 1 . . . parsed_1pqr 2
217 1 . . . parsed_1pqr 2
218 1 . . . parsed_1pqr 2
219 1 . . . parsed_1pqr 2
220 1 . . . parsed_1pqr 2
221 1 . . . parsed_1pqr 2
222 1 . . . parsed_1pqr 2
223 1 . . . parsed_1pqr 2
224 1 . . . parsed_1pqr 2
225 1 . . . parsed_1pqr 2
226 1 . . . parsed_1pqr 2
227 1 . . . parsed_1pqr 2
228 1 . . . parsed_1pqr 2
229 1 . . . parsed_1pqr 2
230 1 . . . parsed_1pqr 2
231 1 . . . parsed_1pqr 2
232 1 . . . parsed_1pqr 2
233 1 . . . parsed_1pqr 2
234 1 . . . parsed_1pqr 2
235 1 . . . parsed_1pqr 2
236 1 . . . parsed_1pqr 2
237 1 . . . parsed_1pqr 2
238 1 . . . parsed_1pqr 2
239 1 . . . parsed_1pqr 2
240 1 . . . parsed_1pqr 2
241 1 . . . parsed_1pqr 2
242 1 . . . parsed_1pqr 2
243 1 . . . parsed_1pqr 2
244 1 . . . parsed_1pqr 2
245 1 . . . parsed_1pqr 2
246 1 . . . parsed_1pqr 2
247 1 . . . parsed_1pqr 2
248 1 . . . parsed_1pqr 2
249 1 . . . parsed_1pqr 2
250 1 . . . parsed_1pqr 2
251 1 . . . parsed_1pqr 2
252 1 . . . parsed_1pqr 2
253 1 . . . parsed_1pqr 2
254 1 . . . parsed_1pqr 2
255 1 . . . parsed_1pqr 2
256 1 . . . parsed_1pqr 2
257 1 . . . parsed_1pqr 2
258 1 . . . parsed_1pqr 2
259 1 . . . parsed_1pqr 2
260 1 . . . parsed_1pqr 2
261 1 . . . parsed_1pqr 2
262 1 . . . parsed_1pqr 2
263 1 . . . parsed_1pqr 2
264 1 . . . parsed_1pqr 2
265 1 . . . parsed_1pqr 2
266 1 . . . parsed_1pqr 2
267 1 . . . parsed_1pqr 2
268 1 . . . parsed_1pqr 2
269 1 . . . parsed_1pqr 2
270 1 . . . parsed_1pqr 2
271 1 . . . parsed_1pqr 2
272 1 . . . parsed_1pqr 2
273 1 . . . parsed_1pqr 2
274 1 . . . parsed_1pqr 2
275 1 . . . parsed_1pqr 2
276 1 . . . parsed_1pqr 2
277 1 . . . parsed_1pqr 2
278 1 . . . parsed_1pqr 2
279 1 . . . parsed_1pqr 2
280 1 . . . parsed_1pqr 2
281 1 . . . parsed_1pqr 2
282 1 . . . parsed_1pqr 2
283 1 . . . parsed_1pqr 2
284 1 . . . parsed_1pqr 2
285 1 . . . parsed_1pqr 2
286 1 . . . parsed_1pqr 2
287 1 . . . parsed_1pqr 2
288 1 . . . parsed_1pqr 2
289 1 . . . parsed_1pqr 2
290 1 . . . parsed_1pqr 2
291 1 . . . parsed_1pqr 2
292 1 . . . parsed_1pqr 2
293 1 . . . parsed_1pqr 2
294 1 . . . parsed_1pqr 2
295 1 . . . parsed_1pqr 2
296 1 . . . parsed_1pqr 2
297 1 . . . parsed_1pqr 2
298 1 . . . parsed_1pqr 2
299 1 . . . parsed_1pqr 2
300 1 . . . parsed_1pqr 2
301 1 . . . parsed_1pqr 2
302 1 . . . parsed_1pqr 2
303 1 . . . parsed_1pqr 2
304 1 . . . parsed_1pqr 2
305 1 . . . parsed_1pqr 2
306 1 . . . parsed_1pqr 2
307 1 . . . parsed_1pqr 2
308 1 . . . parsed_1pqr 2
309 1 . . . parsed_1pqr 2
310 1 . . . parsed_1pqr 2
311 1 . . . parsed_1pqr 2
312 1 . . . parsed_1pqr 2
313 1 . . . parsed_1pqr 2
314 1 . . . parsed_1pqr 2
315 1 . . . parsed_1pqr 2
316 1 . . . parsed_1pqr 2
317 1 . . . parsed_1pqr 2
318 1 . . . parsed_1pqr 2
319 1 . . . parsed_1pqr 2
320 1 . . . parsed_1pqr 2
321 1 . . . parsed_1pqr 2
322 1 . . . parsed_1pqr 2
323 1 . . . parsed_1pqr 2
324 1 . . . parsed_1pqr 2
325 1 . . . parsed_1pqr 2
326 1 . . . parsed_1pqr 2
327 1 . . . parsed_1pqr 2
328 1 . . . parsed_1pqr 2
329 1 . . . parsed_1pqr 2
330 1 . . . parsed_1pqr 2
331 1 . . . parsed_1pqr 2
332 1 . . . parsed_1pqr 2
333 1 . . . parsed_1pqr 2
334 1 . . . parsed_1pqr 2
335 1 . . . parsed_1pqr 2
336 1 . . . parsed_1pqr 2
337 1 . . . parsed_1pqr 2
338 1 . . . parsed_1pqr 2
339 1 . . . parsed_1pqr 2
340 1 . . . parsed_1pqr 2
341 1 . . . parsed_1pqr 2
342 1 . . . parsed_1pqr 2
343 1 . . . parsed_1pqr 2
344 1 . . . parsed_1pqr 2
345 1 . . . parsed_1pqr 2
346 1 . . . parsed_1pqr 2
347 1 . . . parsed_1pqr 2
348 1 . . . parsed_1pqr 2
349 1 . . . parsed_1pqr 2
350 1 . . . parsed_1pqr 2
351 1 . . . parsed_1pqr 2
352 1 . . . parsed_1pqr 2
353 1 . . . parsed_1pqr 2
354 1 . . . parsed_1pqr 2
355 1 . . . parsed_1pqr 2
356 1 . . . parsed_1pqr 2
357 1 . . . parsed_1pqr 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.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_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 2 CYS HN parsed_1pqr 2
1 1 2 . . . . . . . . 1 2 CYS HB1 parsed_1pqr 2
2 1 1 . . . . . . . . 1 2 CYS HN parsed_1pqr 2
2 1 2 . . . . . . . . 1 2 CYS HB2 parsed_1pqr 2
3 1 1 . . . . . . . . 1 2 CYS HN parsed_1pqr 2
3 1 2 . . . . . . . . 1 3 CYS HN parsed_1pqr 2
4 1 1 . . . . . . . . 1 2 CYS HN parsed_1pqr 2
4 1 2 . . . . . . . . 1 1 GLYn HA* parsed_1pqr 2
5 1 1 . . . . . . . . 1 2 CYS HN parsed_1pqr 2
5 1 2 . . . . . . . . 1 2 CYS HA parsed_1pqr 2
6 1 1 . . . . . . . . 1 2 CYS HN parsed_1pqr 2
6 1 2 . . . . . . . . 1 16 CYS HB1 parsed_1pqr 2
7 1 1 . . . . . . . . 1 3 CYS HN parsed_1pqr 2
7 1 2 . . . . . . . . 1 2 CYS HB1 parsed_1pqr 2
8 1 1 . . . . . . . . 1 3 CYS HN parsed_1pqr 2
8 1 2 . . . . . . . . 1 3 CYS HB2 parsed_1pqr 2
9 1 1 . . . . . . . . 1 3 CYS HN parsed_1pqr 2
9 1 2 . . . . . . . . 1 4 GLY HA2 parsed_1pqr 2
10 1 1 . . . . . . . . 1 3 CYS HN parsed_1pqr 2
10 1 2 . . . . . . . . 1 4 GLY HN parsed_1pqr 2
11 1 1 . . . . . . . . 1 3 CYS HN parsed_1pqr 2
11 1 2 . . . . . . . . 1 15 GLY HA1 parsed_1pqr 2
12 1 1 . . . . . . . . 1 3 CYS HN parsed_1pqr 2
12 1 2 . . . . . . . . 1 15 GLY HA2 parsed_1pqr 2
13 1 1 . . . . . . . . 1 3 CYS HA parsed_1pqr 2
13 1 2 . . . . . . . . 1 15 GLY HA1 parsed_1pqr 2
14 1 1 . . . . . . . . 1 3 CYS HN parsed_1pqr 2
14 1 2 . . . . . . . . 1 2 CYS HA parsed_1pqr 2
15 1 1 . . . . . . . . 1 3 CYS HN parsed_1pqr 2
15 1 2 . . . . . . . . 1 3 CYS HA parsed_1pqr 2
16 1 1 . . . . . . . . 1 4 GLY HN parsed_1pqr 2
16 1 2 . . . . . . . . 1 3 CYS HB1 parsed_1pqr 2
17 1 1 . . . . . . . . 1 4 GLY HN parsed_1pqr 2
17 1 2 . . . . . . . . 1 4 GLY HA1 parsed_1pqr 2
18 1 1 . . . . . . . . 1 4 GLY HN parsed_1pqr 2
18 1 2 . . . . . . . . 1 4 GLY HA2 parsed_1pqr 2
19 1 1 . . . . . . . . 1 4 GLY HN parsed_1pqr 2
19 1 2 . . . . . . . . 1 5 PRO HD2 parsed_1pqr 2
20 1 1 . . . . . . . . 1 4 GLY HA1 parsed_1pqr 2
20 1 2 . . . . . . . . 1 5 PRO HD1 parsed_1pqr 2
21 1 1 . . . . . . . . 1 4 GLY HA1 parsed_1pqr 2
21 1 2 . . . . . . . . 1 5 PRO HD2 parsed_1pqr 2
22 1 1 . . . . . . . . 1 4 GLY HA2 parsed_1pqr 2
22 1 2 . . . . . . . . 1 5 PRO HD1 parsed_1pqr 2
23 1 1 . . . . . . . . 1 4 GLY HA2 parsed_1pqr 2
23 1 2 . . . . . . . . 1 5 PRO HD2 parsed_1pqr 2
24 1 1 . . . . . . . . 1 4 GLY HN parsed_1pqr 2
24 1 2 . . . . . . . . 1 12 HIS+ HB2 parsed_1pqr 2
25 1 1 . . . . . . . . 1 4 GLY HN parsed_1pqr 2
25 1 2 . . . . . . . . 1 12 HIS+ HD2 parsed_1pqr 2
26 1 1 . . . . . . . . 1 4 GLY HN parsed_1pqr 2
26 1 2 . . . . . . . . 1 15 GLY HA1 parsed_1pqr 2
27 1 1 . . . . . . . . 1 4 GLY HN parsed_1pqr 2
27 1 2 . . . . . . . . 1 15 GLY HA2 parsed_1pqr 2
28 1 1 . . . . . . . . 1 4 GLY HA1 parsed_1pqr 2
28 1 2 . . . . . . . . 1 15 GLY HA1 parsed_1pqr 2
29 1 1 . . . . . . . . 1 4 GLY HA1 parsed_1pqr 2
29 1 2 . . . . . . . . 1 12 HIS+ HD2 parsed_1pqr 2
30 1 1 . . . . . . . . 1 4 GLY HA2 parsed_1pqr 2
30 1 2 . . . . . . . . 1 12 HIS+ HD2 parsed_1pqr 2
31 1 1 . . . . . . . . 1 4 GLY HA2 parsed_1pqr 2
31 1 2 . . . . . . . . 1 12 HIS+ HB2 parsed_1pqr 2
32 1 1 . . . . . . . . 1 4 GLY HA2 parsed_1pqr 2
32 1 2 . . . . . . . . 1 15 GLY HA1 parsed_1pqr 2
33 1 1 . . . . . . . . 1 4 GLY HA2 parsed_1pqr 2
33 1 2 . . . . . . . . 1 15 GLY HA2 parsed_1pqr 2
34 1 1 . . . . . . . . 1 4 GLY HN parsed_1pqr 2
34 1 2 . . . . . . . . 1 3 CYS HA parsed_1pqr 2
35 1 1 . . . . . . . . 1 4 GLY HN parsed_1pqr 2
35 1 2 . . . . . . . . 1 10 ALA HB* parsed_1pqr 2
36 1 1 . . . . . . . . 1 4 GLY HN parsed_1pqr 2
36 1 2 . . . . . . . . 1 6 TYR HN parsed_1pqr 2
37 1 1 . . . . . . . . 1 5 PRO HA parsed_1pqr 2
37 1 2 . . . . . . . . 1 5 PRO HB* parsed_1pqr 2
38 1 1 . . . . . . . . 1 5 PRO HA parsed_1pqr 2
38 1 2 . . . . . . . . 1 5 PRO HD1 parsed_1pqr 2
39 1 1 . . . . . . . . 1 5 PRO HA parsed_1pqr 2
39 1 2 . . . . . . . . 1 5 PRO HD2 parsed_1pqr 2
40 1 1 . . . . . . . . 1 5 PRO HA parsed_1pqr 2
40 1 2 . . . . . . . . 1 5 PRO HG1 parsed_1pqr 2
41 1 1 . . . . . . . . 1 5 PRO HB* parsed_1pqr 2
41 1 2 . . . . . . . . 1 5 PRO HG1 parsed_1pqr 2
42 1 1 . . . . . . . . 1 5 PRO HB* parsed_1pqr 2
42 1 2 . . . . . . . . 1 5 PRO HG2 parsed_1pqr 2
43 1 1 . . . . . . . . 1 5 PRO HD1 parsed_1pqr 2
43 1 2 . . . . . . . . 1 5 PRO HB* parsed_1pqr 2
44 1 1 . . . . . . . . 1 5 PRO HD1 parsed_1pqr 2
44 1 2 . . . . . . . . 1 5 PRO HG1 parsed_1pqr 2
45 1 1 . . . . . . . . 1 5 PRO HD1 parsed_1pqr 2
45 1 2 . . . . . . . . 1 5 PRO HG2 parsed_1pqr 2
46 1 1 . . . . . . . . 1 5 PRO HD2 parsed_1pqr 2
46 1 2 . . . . . . . . 1 5 PRO HB* parsed_1pqr 2
47 1 1 . . . . . . . . 1 5 PRO HD2 parsed_1pqr 2
47 1 2 . . . . . . . . 1 5 PRO HG1 parsed_1pqr 2
48 1 1 . . . . . . . . 1 5 PRO HD2 parsed_1pqr 2
48 1 2 . . . . . . . . 1 5 PRO HG2 parsed_1pqr 2
49 1 1 . . . . . . . . 1 5 PRO HA parsed_1pqr 2
49 1 2 . . . . . . . . 1 17 LYS+ HG1 parsed_1pqr 2
50 1 1 . . . . . . . . 1 5 PRO HA parsed_1pqr 2
50 1 2 . . . . . . . . 1 17 LYS+ HG2 parsed_1pqr 2
51 1 1 . . . . . . . . 1 5 PRO HA parsed_1pqr 2
51 1 2 . . . . . . . . 1 17 LYS+ HE1 parsed_1pqr 2
52 1 1 . . . . . . . . 1 5 PRO HB1 parsed_1pqr 2
52 1 2 . . . . . . . . 1 17 LYS+ HD1 parsed_1pqr 2
53 1 1 . . . . . . . . 1 5 PRO HB1 parsed_1pqr 2
53 1 2 . . . . . . . . 1 17 LYS+ HG1 parsed_1pqr 2
54 1 1 . . . . . . . . 1 5 PRO HB2 parsed_1pqr 2
54 1 2 . . . . . . . . 1 17 LYS+ HG1 parsed_1pqr 2
55 1 1 . . . . . . . . 1 5 PRO HB2 parsed_1pqr 2
55 1 2 . . . . . . . . 1 17 LYS+ HG2 parsed_1pqr 2
56 1 1 . . . . . . . . 1 5 PRO HG1 parsed_1pqr 2
56 1 2 . . . . . . . . 1 12 HIS+ HD2 parsed_1pqr 2
57 1 1 . . . . . . . . 1 5 PRO HD1 parsed_1pqr 2
57 1 2 . . . . . . . . 1 12 HIS+ HD2 parsed_1pqr 2
58 1 1 . . . . . . . . 1 5 PRO HD2 parsed_1pqr 2
58 1 2 . . . . . . . . 1 12 HIS+ HD2 parsed_1pqr 2
59 1 1 . . . . . . . . 1 5 PRO HD2 parsed_1pqr 2
59 1 2 . . . . . . . . 1 15 GLY HA1 parsed_1pqr 2
60 1 1 . . . . . . . . 1 5 PRO HD2 parsed_1pqr 2
60 1 2 . . . . . . . . 1 15 GLY HA2 parsed_1pqr 2
61 1 1 . . . . . . . . 1 6 TYR HN parsed_1pqr 2
61 1 2 . . . . . . . . 1 5 PRO HA parsed_1pqr 2
62 1 1 . . . . . . . . 1 6 TYR HN parsed_1pqr 2
62 1 2 . . . . . . . . 1 5 PRO HD1 parsed_1pqr 2
63 1 1 . . . . . . . . 1 6 TYR HN parsed_1pqr 2
63 1 2 . . . . . . . . 1 6 TYR HB2 parsed_1pqr 2
64 1 1 . . . . . . . . 1 6 TYR HN parsed_1pqr 2
64 1 2 . . . . . . . . 1 6 TYR HD* parsed_1pqr 2
65 1 1 . . . . . . . . 1 6 TYR HA parsed_1pqr 2
65 1 2 . . . . . . . . 1 7 PRO HD* parsed_1pqr 2
66 1 1 . . . . . . . . 1 6 TYR HA parsed_1pqr 2
66 1 2 . . . . . . . . 1 6 TYR HB1 parsed_1pqr 2
67 1 1 . . . . . . . . 1 6 TYR HA parsed_1pqr 2
67 1 2 . . . . . . . . 1 6 TYR HB2 parsed_1pqr 2
68 1 1 . . . . . . . . 1 6 TYR HD* parsed_1pqr 2
68 1 2 . . . . . . . . 1 5 PRO HD1 parsed_1pqr 2
69 1 1 . . . . . . . . 1 6 TYR HD* parsed_1pqr 2
69 1 2 . . . . . . . . 1 7 PRO HA parsed_1pqr 2
70 1 1 . . . . . . . . 1 6 TYR HD* parsed_1pqr 2
70 1 2 . . . . . . . . 1 6 TYR HB1 parsed_1pqr 2
71 1 1 . . . . . . . . 1 6 TYR HD* parsed_1pqr 2
71 1 2 . . . . . . . . 1 6 TYR HB2 parsed_1pqr 2
72 1 1 . . . . . . . . 1 6 TYR HD* parsed_1pqr 2
72 1 2 . . . . . . . . 1 6 TYR HE* parsed_1pqr 2
73 1 1 . . . . . . . . 1 6 TYR HE* parsed_1pqr 2
73 1 2 . . . . . . . . 1 5 PRO HD1 parsed_1pqr 2
74 1 1 . . . . . . . . 1 6 TYR HE* parsed_1pqr 2
74 1 2 . . . . . . . . 1 5 PRO HD2 parsed_1pqr 2
75 1 1 . . . . . . . . 1 6 TYR HE* parsed_1pqr 2
75 1 2 . . . . . . . . 1 5 PRO HG2 parsed_1pqr 2
76 1 1 . . . . . . . . 1 6 TYR HE* parsed_1pqr 2
76 1 2 . . . . . . . . 1 6 TYR HB2 parsed_1pqr 2
77 1 1 . . . . . . . . 1 6 TYR HN parsed_1pqr 2
77 1 2 . . . . . . . . 1 6 TYR HA parsed_1pqr 2
78 1 1 . . . . . . . . 1 6 TYR HN parsed_1pqr 2
78 1 2 . . . . . . . . 1 6 TYR HE* parsed_1pqr 2
79 1 1 . . . . . . . . 1 6 TYR HD* parsed_1pqr 2
79 1 2 . . . . . . . . 1 5 PRO HB* parsed_1pqr 2
80 1 1 . . . . . . . . 1 6 TYR HD* parsed_1pqr 2
80 1 2 . . . . . . . . 1 5 PRO HD2 parsed_1pqr 2
81 1 1 . . . . . . . . 1 6 TYR HD* parsed_1pqr 2
81 1 2 . . . . . . . . 1 5 PRO HG1 parsed_1pqr 2
82 1 1 . . . . . . . . 1 6 TYR HD* parsed_1pqr 2
82 1 2 . . . . . . . . 1 6 TYR HA parsed_1pqr 2
83 1 1 . . . . . . . . 1 6 TYR HD* parsed_1pqr 2
83 1 2 . . . . . . . . 1 7 PRO HD* parsed_1pqr 2
84 1 1 . . . . . . . . 1 6 TYR HE* parsed_1pqr 2
84 1 2 . . . . . . . . 1 5 PRO HB* parsed_1pqr 2
85 1 1 . . . . . . . . 1 6 TYR HE* parsed_1pqr 2
85 1 2 . . . . . . . . 1 5 PRO HG1 parsed_1pqr 2
86 1 1 . . . . . . . . 1 6 TYR HE* parsed_1pqr 2
86 1 2 . . . . . . . . 1 7 PRO HD* parsed_1pqr 2
87 1 1 . . . . . . . . 1 7 PRO HA parsed_1pqr 2
87 1 2 . . . . . . . . 1 7 PRO HB1 parsed_1pqr 2
88 1 1 . . . . . . . . 1 7 PRO HD* parsed_1pqr 2
88 1 2 . . . . . . . . 1 7 PRO HB1 parsed_1pqr 2
89 1 1 . . . . . . . . 1 7 PRO HD* parsed_1pqr 2
89 1 2 . . . . . . . . 1 7 PRO HB2 parsed_1pqr 2
90 1 1 . . . . . . . . 1 7 PRO HG parsed_1pqr 2
90 1 2 . . . . . . . . 1 7 PRO HB1 parsed_1pqr 2
91 1 1 . . . . . . . . 1 7 PRO HG parsed_1pqr 2
91 1 2 . . . . . . . . 1 7 PRO HB2 parsed_1pqr 2
92 1 1 . . . . . . . . 1 7 PRO HG parsed_1pqr 2
92 1 2 . . . . . . . . 1 7 PRO HD* parsed_1pqr 2
93 1 1 . . . . . . . . 1 8 ASN HN parsed_1pqr 2
93 1 2 . . . . . . . . 1 8 ASN HB* parsed_1pqr 2
94 1 1 . . . . . . . . 1 8 ASN HN parsed_1pqr 2
94 1 2 . . . . . . . . 1 7 PRO HA parsed_1pqr 2
95 1 1 . . . . . . . . 1 8 ASN HN parsed_1pqr 2
95 1 2 . . . . . . . . 1 7 PRO HB1 parsed_1pqr 2
96 1 1 . . . . . . . . 1 8 ASN HN parsed_1pqr 2
96 1 2 . . . . . . . . 1 7 PRO HB2 parsed_1pqr 2
97 1 1 . . . . . . . . 1 8 ASN HD21 parsed_1pqr 2
97 1 2 . . . . . . . . 1 8 ASN HB* parsed_1pqr 2
98 1 1 . . . . . . . . 1 8 ASN HN parsed_1pqr 2
98 1 2 . . . . . . . . 1 9 ALA HB* parsed_1pqr 2
99 1 1 . . . . . . . . 1 8 ASN HN parsed_1pqr 2
99 1 2 . . . . . . . . 1 8 ASN HA parsed_1pqr 2
100 1 1 . . . . . . . . 1 8 ASN HN parsed_1pqr 2
100 1 2 . . . . . . . . 1 11 CYS HN parsed_1pqr 2
101 1 1 . . . . . . . . 1 9 ALA HN parsed_1pqr 2
101 1 2 . . . . . . . . 1 10 ALA HN parsed_1pqr 2
102 1 1 . . . . . . . . 1 9 ALA HN parsed_1pqr 2
102 1 2 . . . . . . . . 1 9 ALA HA parsed_1pqr 2
103 1 1 . . . . . . . . 1 9 ALA HN parsed_1pqr 2
103 1 2 . . . . . . . . 1 9 ALA HB* parsed_1pqr 2
104 1 1 . . . . . . . . 1 9 ALA HN parsed_1pqr 2
104 1 2 . . . . . . . . 1 8 ASN HB* parsed_1pqr 2
105 1 1 . . . . . . . . 1 9 ALA HA parsed_1pqr 2
105 1 2 . . . . . . . . 1 9 ALA HB* parsed_1pqr 2
106 1 1 . . . . . . . . 1 9 ALA HN parsed_1pqr 2
106 1 2 . . . . . . . . 1 7 PRO HB2 parsed_1pqr 2
107 1 1 . . . . . . . . 1 9 ALA HN parsed_1pqr 2
107 1 2 . . . . . . . . 1 8 ASN HA parsed_1pqr 2
108 1 1 . . . . . . . . 1 10 ALA HN parsed_1pqr 2
108 1 2 . . . . . . . . 1 10 ALA HA parsed_1pqr 2
109 1 1 . . . . . . . . 1 10 ALA HN parsed_1pqr 2
109 1 2 . . . . . . . . 1 10 ALA HB* parsed_1pqr 2
110 1 1 . . . . . . . . 1 10 ALA HN parsed_1pqr 2
110 1 2 . . . . . . . . 1 9 ALA HA parsed_1pqr 2
111 1 1 . . . . . . . . 1 10 ALA HN parsed_1pqr 2
111 1 2 . . . . . . . . 1 9 ALA HB* parsed_1pqr 2
112 1 1 . . . . . . . . 1 10 ALA HN parsed_1pqr 2
112 1 2 . . . . . . . . 1 11 CYS HN parsed_1pqr 2
113 1 1 . . . . . . . . 1 10 ALA HA parsed_1pqr 2
113 1 2 . . . . . . . . 1 10 ALA HB* parsed_1pqr 2
114 1 1 . . . . . . . . 1 11 CYS HN parsed_1pqr 2
114 1 2 . . . . . . . . 1 10 ALA HA parsed_1pqr 2
115 1 1 . . . . . . . . 1 11 CYS HN parsed_1pqr 2
115 1 2 . . . . . . . . 1 10 ALA HB* parsed_1pqr 2
116 1 1 . . . . . . . . 1 11 CYS HN parsed_1pqr 2
116 1 2 . . . . . . . . 1 9 ALA HA parsed_1pqr 2
117 1 1 . . . . . . . . 1 11 CYS HN parsed_1pqr 2
117 1 2 . . . . . . . . 1 11 CYS HA parsed_1pqr 2
118 1 1 . . . . . . . . 1 11 CYS HN parsed_1pqr 2
118 1 2 . . . . . . . . 1 11 CYS HB1 parsed_1pqr 2
119 1 1 . . . . . . . . 1 11 CYS HN parsed_1pqr 2
119 1 2 . . . . . . . . 1 11 CYS HB2 parsed_1pqr 2
120 1 1 . . . . . . . . 1 11 CYS HA parsed_1pqr 2
120 1 2 . . . . . . . . 1 11 CYS HB1 parsed_1pqr 2
121 1 1 . . . . . . . . 1 11 CYS HA parsed_1pqr 2
121 1 2 . . . . . . . . 1 11 CYS HB2 parsed_1pqr 2
122 1 1 . . . . . . . . 1 11 CYS HN parsed_1pqr 2
122 1 2 . . . . . . . . 1 9 ALA HB* parsed_1pqr 2
123 1 1 . . . . . . . . 1 11 CYS HN parsed_1pqr 2
123 1 2 . . . . . . . . 1 3 CYS HB1 parsed_1pqr 2
124 1 1 . . . . . . . . 1 12 HIS+ HN parsed_1pqr 2
124 1 2 . . . . . . . . 1 11 CYS HA parsed_1pqr 2
125 1 1 . . . . . . . . 1 12 HIS+ HN parsed_1pqr 2
125 1 2 . . . . . . . . 1 11 CYS HB1 parsed_1pqr 2
126 1 1 . . . . . . . . 1 12 HIS+ HN parsed_1pqr 2
126 1 2 . . . . . . . . 1 11 CYS HN parsed_1pqr 2
127 1 1 . . . . . . . . 1 12 HIS+ HN parsed_1pqr 2
127 1 2 . . . . . . . . 1 15 GLY HN parsed_1pqr 2
128 1 1 . . . . . . . . 1 12 HIS+ HN parsed_1pqr 2
128 1 2 . . . . . . . . 1 12 HIS+ HA parsed_1pqr 2
129 1 1 . . . . . . . . 1 12 HIS+ HN parsed_1pqr 2
129 1 2 . . . . . . . . 1 12 HIS+ HB1 parsed_1pqr 2
130 1 1 . . . . . . . . 1 12 HIS+ HN parsed_1pqr 2
130 1 2 . . . . . . . . 1 12 HIS+ HB2 parsed_1pqr 2
131 1 1 . . . . . . . . 1 12 HIS+ HN parsed_1pqr 2
131 1 2 . . . . . . . . 1 12 HIS+ HD2 parsed_1pqr 2
132 1 1 . . . . . . . . 1 12 HIS+ HA parsed_1pqr 2
132 1 2 . . . . . . . . 1 12 HIS+ HB1 parsed_1pqr 2
133 1 1 . . . . . . . . 1 12 HIS+ HA parsed_1pqr 2
133 1 2 . . . . . . . . 1 12 HIS+ HB2 parsed_1pqr 2
134 1 1 . . . . . . . . 1 12 HIS+ HA parsed_1pqr 2
134 1 2 . . . . . . . . 1 13 PRO HD1 parsed_1pqr 2
135 1 1 . . . . . . . . 1 12 HIS+ HA parsed_1pqr 2
135 1 2 . . . . . . . . 1 13 PRO HD2 parsed_1pqr 2
136 1 1 . . . . . . . . 1 12 HIS+ HD2 parsed_1pqr 2
136 1 2 . . . . . . . . 1 12 HIS+ HA parsed_1pqr 2
137 1 1 . . . . . . . . 1 12 HIS+ HD2 parsed_1pqr 2
137 1 2 . . . . . . . . 1 12 HIS+ HB1 parsed_1pqr 2
138 1 1 . . . . . . . . 1 12 HIS+ HD2 parsed_1pqr 2
138 1 2 . . . . . . . . 1 12 HIS+ HB2 parsed_1pqr 2
139 1 1 . . . . . . . . 1 12 HIS+ HD2 parsed_1pqr 2
139 1 2 . . . . . . . . 1 10 ALA HA parsed_1pqr 2
140 1 1 . . . . . . . . 1 12 HIS+ HD2 parsed_1pqr 2
140 1 2 . . . . . . . . 1 10 ALA HB* parsed_1pqr 2
141 1 1 . . . . . . . . 1 13 PRO HA parsed_1pqr 2
141 1 2 . . . . . . . . 1 13 PRO HB1 parsed_1pqr 2
142 1 1 . . . . . . . . 1 13 PRO HA parsed_1pqr 2
142 1 2 . . . . . . . . 1 13 PRO HB2 parsed_1pqr 2
143 1 1 . . . . . . . . 1 13 PRO HD2 parsed_1pqr 2
143 1 2 . . . . . . . . 1 13 PRO HB2 parsed_1pqr 2
144 1 1 . . . . . . . . 1 13 PRO HG parsed_1pqr 2
144 1 2 . . . . . . . . 1 13 PRO HB2 parsed_1pqr 2
145 1 1 . . . . . . . . 1 14 CYS HN parsed_1pqr 2
145 1 2 . . . . . . . . 1 14 CYS HB1 parsed_1pqr 2
146 1 1 . . . . . . . . 1 14 CYS HN parsed_1pqr 2
146 1 2 . . . . . . . . 1 14 CYS HB2 parsed_1pqr 2
147 1 1 . . . . . . . . 1 14 CYS HN parsed_1pqr 2
147 1 2 . . . . . . . . 1 15 GLY HN parsed_1pqr 2
148 1 1 . . . . . . . . 1 14 CYS HN parsed_1pqr 2
148 1 2 . . . . . . . . 1 12 HIS+ HA parsed_1pqr 2
149 1 1 . . . . . . . . 1 14 CYS HN parsed_1pqr 2
149 1 2 . . . . . . . . 1 12 HIS+ HB1 parsed_1pqr 2
150 1 1 . . . . . . . . 1 14 CYS HN parsed_1pqr 2
150 1 2 . . . . . . . . 1 13 PRO HA parsed_1pqr 2
151 1 1 . . . . . . . . 1 14 CYS HN parsed_1pqr 2
151 1 2 . . . . . . . . 1 13 PRO HB2 parsed_1pqr 2
152 1 1 . . . . . . . . 1 14 CYS HN parsed_1pqr 2
152 1 2 . . . . . . . . 1 13 PRO HD2 parsed_1pqr 2
153 1 1 . . . . . . . . 1 14 CYS HA parsed_1pqr 2
153 1 2 . . . . . . . . 1 14 CYS HB1 parsed_1pqr 2
154 1 1 . . . . . . . . 1 14 CYS HA parsed_1pqr 2
154 1 2 . . . . . . . . 1 14 CYS HB2 parsed_1pqr 2
155 1 1 . . . . . . . . 1 14 CYS HB1 parsed_1pqr 2
155 1 2 . . . . . . . . 1 24 CYS HB1 parsed_1pqr 2
156 1 1 . . . . . . . . 1 14 CYS HB1 parsed_1pqr 2
156 1 2 . . . . . . . . 1 24 CYS HB2 parsed_1pqr 2
157 1 1 . . . . . . . . 1 14 CYS HN parsed_1pqr 2
157 1 2 . . . . . . . . 1 14 CYS HA parsed_1pqr 2
158 1 1 . . . . . . . . 1 14 CYS HN parsed_1pqr 2
158 1 2 . . . . . . . . 1 16 CYS HN parsed_1pqr 2
159 1 1 . . . . . . . . 1 14 CYS HN parsed_1pqr 2
159 1 2 . . . . . . . . 1 24 CYS HB2 parsed_1pqr 2
160 1 1 . . . . . . . . 1 14 CYS HN parsed_1pqr 2
160 1 2 . . . . . . . . 1 15 GLY HA1 parsed_1pqr 2
161 1 1 . . . . . . . . 1 14 CYS HN parsed_1pqr 2
161 1 2 . . . . . . . . 1 23 TYR HE* parsed_1pqr 2
162 1 1 . . . . . . . . 1 14 CYS HA parsed_1pqr 2
162 1 2 . . . . . . . . 1 16 CYS HN parsed_1pqr 2
163 1 1 . . . . . . . . 1 15 GLY HN parsed_1pqr 2
163 1 2 . . . . . . . . 1 14 CYS HB1 parsed_1pqr 2
164 1 1 . . . . . . . . 1 15 GLY HN parsed_1pqr 2
164 1 2 . . . . . . . . 1 14 CYS HB2 parsed_1pqr 2
165 1 1 . . . . . . . . 1 15 GLY HN parsed_1pqr 2
165 1 2 . . . . . . . . 1 16 CYS HN parsed_1pqr 2
166 1 1 . . . . . . . . 1 15 GLY HN parsed_1pqr 2
166 1 2 . . . . . . . . 1 12 HIS+ HB1 parsed_1pqr 2
167 1 1 . . . . . . . . 1 15 GLY HN parsed_1pqr 2
167 1 2 . . . . . . . . 1 12 HIS+ HB2 parsed_1pqr 2
168 1 1 . . . . . . . . 1 15 GLY HA2 parsed_1pqr 2
168 1 2 . . . . . . . . 1 12 HIS+ HB1 parsed_1pqr 2
169 1 1 . . . . . . . . 1 15 GLY HA2 parsed_1pqr 2
169 1 2 . . . . . . . . 1 12 HIS+ HB2 parsed_1pqr 2
170 1 1 . . . . . . . . 1 15 GLY HN parsed_1pqr 2
170 1 2 . . . . . . . . 1 14 CYS HA parsed_1pqr 2
171 1 1 . . . . . . . . 1 15 GLY HN parsed_1pqr 2
171 1 2 . . . . . . . . 1 15 GLY HA1 parsed_1pqr 2
172 1 1 . . . . . . . . 1 15 GLY HN parsed_1pqr 2
172 1 2 . . . . . . . . 1 4 GLY HN parsed_1pqr 2
173 1 1 . . . . . . . . 1 16 CYS HN parsed_1pqr 2
173 1 2 . . . . . . . . 1 16 CYS HB2 parsed_1pqr 2
174 1 1 . . . . . . . . 1 16 CYS HN parsed_1pqr 2
174 1 2 . . . . . . . . 1 15 GLY HA1 parsed_1pqr 2
175 1 1 . . . . . . . . 1 16 CYS HN parsed_1pqr 2
175 1 2 . . . . . . . . 1 15 GLY HA2 parsed_1pqr 2
176 1 1 . . . . . . . . 1 16 CYS HB1 parsed_1pqr 2
176 1 2 . . . . . . . . 1 2 CYS HB2 parsed_1pqr 2
177 1 1 . . . . . . . . 1 16 CYS HB2 parsed_1pqr 2
177 1 2 . . . . . . . . 1 20 ARG+ HB1 parsed_1pqr 2
178 1 1 . . . . . . . . 1 16 CYS HB2 parsed_1pqr 2
178 1 2 . . . . . . . . 1 20 ARG+ HB2 parsed_1pqr 2
179 1 1 . . . . . . . . 1 16 CYS HB2 parsed_1pqr 2
179 1 2 . . . . . . . . 1 20 ARG+ HG1 parsed_1pqr 2
180 1 1 . . . . . . . . 1 16 CYS HN parsed_1pqr 2
180 1 2 . . . . . . . . 1 16 CYS HA parsed_1pqr 2
181 1 1 . . . . . . . . 1 16 CYS HN parsed_1pqr 2
181 1 2 . . . . . . . . 1 2 CYS HB1 parsed_1pqr 2
182 1 1 . . . . . . . . 1 16 CYS HN parsed_1pqr 2
182 1 2 . . . . . . . . 1 2 CYS HB2 parsed_1pqr 2
183 1 1 . . . . . . . . 1 17 LYS+ HN parsed_1pqr 2
183 1 2 . . . . . . . . 1 16 CYS HB2 parsed_1pqr 2
184 1 1 . . . . . . . . 1 17 LYS+ HN parsed_1pqr 2
184 1 2 . . . . . . . . 1 17 LYS+ HA parsed_1pqr 2
185 1 1 . . . . . . . . 1 17 LYS+ HN parsed_1pqr 2
185 1 2 . . . . . . . . 1 17 LYS+ HB1 parsed_1pqr 2
186 1 1 . . . . . . . . 1 17 LYS+ HN parsed_1pqr 2
186 1 2 . . . . . . . . 1 17 LYS+ HB2 parsed_1pqr 2
187 1 1 . . . . . . . . 1 17 LYS+ HN parsed_1pqr 2
187 1 2 . . . . . . . . 1 17 LYS+ HG1 parsed_1pqr 2
188 1 1 . . . . . . . . 1 17 LYS+ HN parsed_1pqr 2
188 1 2 . . . . . . . . 1 18 VAL HN parsed_1pqr 2
189 1 1 . . . . . . . . 1 17 LYS+ HA parsed_1pqr 2
189 1 2 . . . . . . . . 1 17 LYS+ HB1 parsed_1pqr 2
190 1 1 . . . . . . . . 1 17 LYS+ HA parsed_1pqr 2
190 1 2 . . . . . . . . 1 17 LYS+ HB2 parsed_1pqr 2
191 1 1 . . . . . . . . 1 17 LYS+ HA parsed_1pqr 2
191 1 2 . . . . . . . . 1 17 LYS+ HG2 parsed_1pqr 2
192 1 1 . . . . . . . . 1 17 LYS+ HN parsed_1pqr 2
192 1 2 . . . . . . . . 1 16 CYS HA parsed_1pqr 2
193 1 1 . . . . . . . . 1 17 LYS+ HN parsed_1pqr 2
193 1 2 . . . . . . . . 1 18 VAL HG* parsed_1pqr 2
194 1 1 . . . . . . . . 1 18 VAL HN parsed_1pqr 2
194 1 2 . . . . . . . . 1 16 CYS HB1 parsed_1pqr 2
195 1 1 . . . . . . . . 1 18 VAL HN parsed_1pqr 2
195 1 2 . . . . . . . . 1 16 CYS HB2 parsed_1pqr 2
196 1 1 . . . . . . . . 1 18 VAL HN parsed_1pqr 2
196 1 2 . . . . . . . . 1 17 LYS+ HA parsed_1pqr 2
197 1 1 . . . . . . . . 1 18 VAL HN parsed_1pqr 2
197 1 2 . . . . . . . . 1 17 LYS+ HB1 parsed_1pqr 2
198 1 1 . . . . . . . . 1 18 VAL HN parsed_1pqr 2
198 1 2 . . . . . . . . 1 18 VAL HA parsed_1pqr 2
199 1 1 . . . . . . . . 1 18 VAL HN parsed_1pqr 2
199 1 2 . . . . . . . . 1 18 VAL HB parsed_1pqr 2
200 1 1 . . . . . . . . 1 18 VAL HN parsed_1pqr 2
200 1 2 . . . . . . . . 1 18 VAL HG* parsed_1pqr 2
201 1 1 . . . . . . . . 1 18 VAL HA parsed_1pqr 2
201 1 2 . . . . . . . . 1 18 VAL HB parsed_1pqr 2
202 1 1 . . . . . . . . 1 18 VAL HA parsed_1pqr 2
202 1 2 . . . . . . . . 1 18 VAL HG* parsed_1pqr 2
203 1 1 . . . . . . . . 1 18 VAL HB parsed_1pqr 2
203 1 2 . . . . . . . . 1 18 VAL HG* parsed_1pqr 2
204 1 1 . . . . . . . . 1 19 GLY HN parsed_1pqr 2
204 1 2 . . . . . . . . 1 20 ARG+ HN parsed_1pqr 2
205 1 1 . . . . . . . . 1 19 GLY HN parsed_1pqr 2
205 1 2 . . . . . . . . 1 19 GLY HA1 parsed_1pqr 2
206 1 1 . . . . . . . . 1 19 GLY HN parsed_1pqr 2
206 1 2 . . . . . . . . 1 19 GLY HA2 parsed_1pqr 2
207 1 1 . . . . . . . . 1 19 GLY HN parsed_1pqr 2
207 1 2 . . . . . . . . 1 18 VAL HA parsed_1pqr 2
208 1 1 . . . . . . . . 1 19 GLY HN parsed_1pqr 2
208 1 2 . . . . . . . . 1 18 VAL HB parsed_1pqr 2
209 1 1 . . . . . . . . 1 19 GLY HA2 parsed_1pqr 2
209 1 2 . . . . . . . . 1 18 VAL HG* parsed_1pqr 2
210 1 1 . . . . . . . . 1 20 ARG+ HN parsed_1pqr 2
210 1 2 . . . . . . . . 1 20 ARG+ HA parsed_1pqr 2
211 1 1 . . . . . . . . 1 20 ARG+ HN parsed_1pqr 2
211 1 2 . . . . . . . . 1 20 ARG+ HB1 parsed_1pqr 2
212 1 1 . . . . . . . . 1 20 ARG+ HN parsed_1pqr 2
212 1 2 . . . . . . . . 1 20 ARG+ HB2 parsed_1pqr 2
213 1 1 . . . . . . . . 1 20 ARG+ HN parsed_1pqr 2
213 1 2 . . . . . . . . 1 20 ARG+ HG1 parsed_1pqr 2
214 1 1 . . . . . . . . 1 20 ARG+ HN parsed_1pqr 2
214 1 2 . . . . . . . . 1 20 ARG+ HG2 parsed_1pqr 2
215 1 1 . . . . . . . . 1 20 ARG+ HN parsed_1pqr 2
215 1 2 . . . . . . . . 1 19 GLY HA2 parsed_1pqr 2
216 1 1 . . . . . . . . 1 20 ARG+ HA parsed_1pqr 2
216 1 2 . . . . . . . . 1 20 ARG+ HB1 parsed_1pqr 2
217 1 1 . . . . . . . . 1 20 ARG+ HA parsed_1pqr 2
217 1 2 . . . . . . . . 1 20 ARG+ HB2 parsed_1pqr 2
218 1 1 . . . . . . . . 1 20 ARG+ HA parsed_1pqr 2
218 1 2 . . . . . . . . 1 21 PRO HD1 parsed_1pqr 2
219 1 1 . . . . . . . . 1 20 ARG+ HA parsed_1pqr 2
219 1 2 . . . . . . . . 1 21 PRO HD2 parsed_1pqr 2
220 1 1 . . . . . . . . 1 20 ARG+ HD1 parsed_1pqr 2
220 1 2 . . . . . . . . 1 20 ARG+ HB1 parsed_1pqr 2
221 1 1 . . . . . . . . 1 20 ARG+ HD1 parsed_1pqr 2
221 1 2 . . . . . . . . 1 20 ARG+ HB2 parsed_1pqr 2
222 1 1 . . . . . . . . 1 20 ARG+ HD1 parsed_1pqr 2
222 1 2 . . . . . . . . 1 20 ARG+ HG1 parsed_1pqr 2
223 1 1 . . . . . . . . 1 20 ARG+ HD1 parsed_1pqr 2
223 1 2 . . . . . . . . 1 20 ARG+ HG2 parsed_1pqr 2
224 1 1 . . . . . . . . 1 20 ARG+ HD2 parsed_1pqr 2
224 1 2 . . . . . . . . 1 20 ARG+ HB1 parsed_1pqr 2
225 1 1 . . . . . . . . 1 20 ARG+ HD2 parsed_1pqr 2
225 1 2 . . . . . . . . 1 20 ARG+ HB2 parsed_1pqr 2
226 1 1 . . . . . . . . 1 20 ARG+ HD2 parsed_1pqr 2
226 1 2 . . . . . . . . 1 20 ARG+ HG1 parsed_1pqr 2
227 1 1 . . . . . . . . 1 20 ARG+ HD2 parsed_1pqr 2
227 1 2 . . . . . . . . 1 20 ARG+ HG2 parsed_1pqr 2
228 1 1 . . . . . . . . 1 20 ARG+ HE parsed_1pqr 2
228 1 2 . . . . . . . . 1 20 ARG+ HB1 parsed_1pqr 2
229 1 1 . . . . . . . . 1 20 ARG+ HE parsed_1pqr 2
229 1 2 . . . . . . . . 1 20 ARG+ HB2 parsed_1pqr 2
230 1 1 . . . . . . . . 1 20 ARG+ HE parsed_1pqr 2
230 1 2 . . . . . . . . 1 20 ARG+ HD1 parsed_1pqr 2
231 1 1 . . . . . . . . 1 20 ARG+ HE parsed_1pqr 2
231 1 2 . . . . . . . . 1 20 ARG+ HD2 parsed_1pqr 2
232 1 1 . . . . . . . . 1 20 ARG+ HE parsed_1pqr 2
232 1 2 . . . . . . . . 1 20 ARG+ HG1 parsed_1pqr 2
233 1 1 . . . . . . . . 1 20 ARG+ HE parsed_1pqr 2
233 1 2 . . . . . . . . 1 20 ARG+ HG2 parsed_1pqr 2
234 1 1 . . . . . . . . 1 20 ARG+ HE parsed_1pqr 2
234 1 2 . . . . . . . . 1 24 CYS HB2 parsed_1pqr 2
235 1 1 . . . . . . . . 1 20 ARG+ HN parsed_1pqr 2
235 1 2 . . . . . . . . 1 20 ARG+ HE parsed_1pqr 2
236 1 1 . . . . . . . . 1 21 PRO HA parsed_1pqr 2
236 1 2 . . . . . . . . 1 21 PRO HB1 parsed_1pqr 2
237 1 1 . . . . . . . . 1 21 PRO HA parsed_1pqr 2
237 1 2 . . . . . . . . 1 22 PRO HD1 parsed_1pqr 2
238 1 1 . . . . . . . . 1 21 PRO HA parsed_1pqr 2
238 1 2 . . . . . . . . 1 22 PRO HD2 parsed_1pqr 2
239 1 1 . . . . . . . . 1 21 PRO HD1 parsed_1pqr 2
239 1 2 . . . . . . . . 1 13 PRO HB1 parsed_1pqr 2
240 1 1 . . . . . . . . 1 21 PRO HD1 parsed_1pqr 2
240 1 2 . . . . . . . . 1 13 PRO HB2 parsed_1pqr 2
241 1 1 . . . . . . . . 1 21 PRO HD1 parsed_1pqr 2
241 1 2 . . . . . . . . 1 21 PRO HB2 parsed_1pqr 2
242 1 1 . . . . . . . . 1 21 PRO HD2 parsed_1pqr 2
242 1 2 . . . . . . . . 1 20 ARG+ HB1 parsed_1pqr 2
243 1 1 . . . . . . . . 1 21 PRO HD2 parsed_1pqr 2
243 1 2 . . . . . . . . 1 20 ARG+ HB2 parsed_1pqr 2
244 1 1 . . . . . . . . 1 21 PRO HD2 parsed_1pqr 2
244 1 2 . . . . . . . . 1 20 ARG+ HG1 parsed_1pqr 2
245 1 1 . . . . . . . . 1 21 PRO HD2 parsed_1pqr 2
245 1 2 . . . . . . . . 1 20 ARG+ HG2 parsed_1pqr 2
246 1 1 . . . . . . . . 1 21 PRO HD2 parsed_1pqr 2
246 1 2 . . . . . . . . 1 13 PRO HB1 parsed_1pqr 2
247 1 1 . . . . . . . . 1 21 PRO HD2 parsed_1pqr 2
247 1 2 . . . . . . . . 1 13 PRO HB2 parsed_1pqr 2
248 1 1 . . . . . . . . 1 21 PRO HD2 parsed_1pqr 2
248 1 2 . . . . . . . . 1 21 PRO HB1 parsed_1pqr 2
249 1 1 . . . . . . . . 1 21 PRO HD2 parsed_1pqr 2
249 1 2 . . . . . . . . 1 21 PRO HB2 parsed_1pqr 2
250 1 1 . . . . . . . . 1 21 PRO HG parsed_1pqr 2
250 1 2 . . . . . . . . 1 13 PRO HB1 parsed_1pqr 2
251 1 1 . . . . . . . . 1 21 PRO HG parsed_1pqr 2
251 1 2 . . . . . . . . 1 13 PRO HB2 parsed_1pqr 2
252 1 1 . . . . . . . . 1 21 PRO HG parsed_1pqr 2
252 1 2 . . . . . . . . 1 21 PRO HB1 parsed_1pqr 2
253 1 1 . . . . . . . . 1 21 PRO HG parsed_1pqr 2
253 1 2 . . . . . . . . 1 21 PRO HB2 parsed_1pqr 2
254 1 1 . . . . . . . . 1 21 PRO HG parsed_1pqr 2
254 1 2 . . . . . . . . 1 21 PRO HD1 parsed_1pqr 2
255 1 1 . . . . . . . . 1 21 PRO HG parsed_1pqr 2
255 1 2 . . . . . . . . 1 21 PRO HD2 parsed_1pqr 2
256 1 1 . . . . . . . . 1 22 PRO HA parsed_1pqr 2
256 1 2 . . . . . . . . 1 22 PRO HB1 parsed_1pqr 2
257 1 1 . . . . . . . . 1 22 PRO HA parsed_1pqr 2
257 1 2 . . . . . . . . 1 22 PRO HB2 parsed_1pqr 2
258 1 1 . . . . . . . . 1 22 PRO HD1 parsed_1pqr 2
258 1 2 . . . . . . . . 1 21 PRO HB1 parsed_1pqr 2
259 1 1 . . . . . . . . 1 22 PRO HD1 parsed_1pqr 2
259 1 2 . . . . . . . . 1 21 PRO HB2 parsed_1pqr 2
260 1 1 . . . . . . . . 1 22 PRO HD1 parsed_1pqr 2
260 1 2 . . . . . . . . 1 22 PRO HB1 parsed_1pqr 2
261 1 1 . . . . . . . . 1 22 PRO HD1 parsed_1pqr 2
261 1 2 . . . . . . . . 1 22 PRO HB2 parsed_1pqr 2
262 1 1 . . . . . . . . 1 22 PRO HD2 parsed_1pqr 2
262 1 2 . . . . . . . . 1 21 PRO HB2 parsed_1pqr 2
263 1 1 . . . . . . . . 1 22 PRO HD2 parsed_1pqr 2
263 1 2 . . . . . . . . 1 22 PRO HB1 parsed_1pqr 2
264 1 1 . . . . . . . . 1 22 PRO HD2 parsed_1pqr 2
264 1 2 . . . . . . . . 1 22 PRO HB2 parsed_1pqr 2
265 1 1 . . . . . . . . 1 22 PRO HG parsed_1pqr 2
265 1 2 . . . . . . . . 1 22 PRO HB1 parsed_1pqr 2
266 1 1 . . . . . . . . 1 22 PRO HG parsed_1pqr 2
266 1 2 . . . . . . . . 1 22 PRO HB2 parsed_1pqr 2
267 1 1 . . . . . . . . 1 22 PRO HG parsed_1pqr 2
267 1 2 . . . . . . . . 1 22 PRO HD1 parsed_1pqr 2
268 1 1 . . . . . . . . 1 22 PRO HG parsed_1pqr 2
268 1 2 . . . . . . . . 1 22 PRO HD2 parsed_1pqr 2
269 1 1 . . . . . . . . 1 23 TYR HN parsed_1pqr 2
269 1 2 . . . . . . . . 1 24 CYS HB2 parsed_1pqr 2
270 1 1 . . . . . . . . 1 23 TYR HN parsed_1pqr 2
270 1 2 . . . . . . . . 1 24 CYS HN parsed_1pqr 2
271 1 1 . . . . . . . . 1 23 TYR HN parsed_1pqr 2
271 1 2 . . . . . . . . 1 21 PRO HB1 parsed_1pqr 2
272 1 1 . . . . . . . . 1 23 TYR HN parsed_1pqr 2
272 1 2 . . . . . . . . 1 21 PRO HB2 parsed_1pqr 2
273 1 1 . . . . . . . . 1 23 TYR HN parsed_1pqr 2
273 1 2 . . . . . . . . 1 22 PRO HA parsed_1pqr 2
274 1 1 . . . . . . . . 1 23 TYR HN parsed_1pqr 2
274 1 2 . . . . . . . . 1 22 PRO HB2 parsed_1pqr 2
275 1 1 . . . . . . . . 1 23 TYR HN parsed_1pqr 2
275 1 2 . . . . . . . . 1 23 TYR HA parsed_1pqr 2
276 1 1 . . . . . . . . 1 23 TYR HN parsed_1pqr 2
276 1 2 . . . . . . . . 1 23 TYR HB1 parsed_1pqr 2
277 1 1 . . . . . . . . 1 23 TYR HN parsed_1pqr 2
277 1 2 . . . . . . . . 1 23 TYR HB2 parsed_1pqr 2
278 1 1 . . . . . . . . 1 23 TYR HN parsed_1pqr 2
278 1 2 . . . . . . . . 1 23 TYR HD* parsed_1pqr 2
279 1 1 . . . . . . . . 1 23 TYR HN parsed_1pqr 2
279 1 2 . . . . . . . . 1 23 TYR HE* parsed_1pqr 2
280 1 1 . . . . . . . . 1 23 TYR HA parsed_1pqr 2
280 1 2 . . . . . . . . 1 23 TYR HB1 parsed_1pqr 2
281 1 1 . . . . . . . . 1 23 TYR HA parsed_1pqr 2
281 1 2 . . . . . . . . 1 23 TYR HB2 parsed_1pqr 2
282 1 1 . . . . . . . . 1 23 TYR HD* parsed_1pqr 2
282 1 2 . . . . . . . . 1 24 CYS HA parsed_1pqr 2
283 1 1 . . . . . . . . 1 23 TYR HD* parsed_1pqr 2
283 1 2 . . . . . . . . 1 21 PRO HB1 parsed_1pqr 2
284 1 1 . . . . . . . . 1 23 TYR HD* parsed_1pqr 2
284 1 2 . . . . . . . . 1 21 PRO HB2 parsed_1pqr 2
285 1 1 . . . . . . . . 1 23 TYR HD* parsed_1pqr 2
285 1 2 . . . . . . . . 1 22 PRO HB2 parsed_1pqr 2
286 1 1 . . . . . . . . 1 23 TYR HD* parsed_1pqr 2
286 1 2 . . . . . . . . 1 23 TYR HA parsed_1pqr 2
287 1 1 . . . . . . . . 1 23 TYR HD* parsed_1pqr 2
287 1 2 . . . . . . . . 1 23 TYR HB1 parsed_1pqr 2
288 1 1 . . . . . . . . 1 23 TYR HD* parsed_1pqr 2
288 1 2 . . . . . . . . 1 23 TYR HB2 parsed_1pqr 2
289 1 1 . . . . . . . . 1 23 TYR HD* parsed_1pqr 2
289 1 2 . . . . . . . . 1 23 TYR HE* parsed_1pqr 2
290 1 1 . . . . . . . . 1 23 TYR HE* parsed_1pqr 2
290 1 2 . . . . . . . . 1 24 CYS HA parsed_1pqr 2
291 1 1 . . . . . . . . 1 23 TYR HE* parsed_1pqr 2
291 1 2 . . . . . . . . 1 13 PRO HB2 parsed_1pqr 2
292 1 1 . . . . . . . . 1 23 TYR HE* parsed_1pqr 2
292 1 2 . . . . . . . . 1 21 PRO HB1 parsed_1pqr 2
293 1 1 . . . . . . . . 1 23 TYR HE* parsed_1pqr 2
293 1 2 . . . . . . . . 1 21 PRO HB2 parsed_1pqr 2
294 1 1 . . . . . . . . 1 23 TYR HE* parsed_1pqr 2
294 1 2 . . . . . . . . 1 21 PRO HG parsed_1pqr 2
295 1 1 . . . . . . . . 1 23 TYR HE* parsed_1pqr 2
295 1 2 . . . . . . . . 1 23 TYR HB1 parsed_1pqr 2
296 1 1 . . . . . . . . 1 23 TYR HE* parsed_1pqr 2
296 1 2 . . . . . . . . 1 23 TYR HB2 parsed_1pqr 2
297 1 1 . . . . . . . . 1 23 TYR HE* parsed_1pqr 2
297 1 2 . . . . . . . . 1 22 PRO HB1 parsed_1pqr 2
298 1 1 . . . . . . . . 1 24 CYS HN parsed_1pqr 2
298 1 2 . . . . . . . . 1 24 CYS HA parsed_1pqr 2
299 1 1 . . . . . . . . 1 24 CYS HN parsed_1pqr 2
299 1 2 . . . . . . . . 1 24 CYS HB1 parsed_1pqr 2
300 1 1 . . . . . . . . 1 24 CYS HN parsed_1pqr 2
300 1 2 . . . . . . . . 1 24 CYS HB2 parsed_1pqr 2
301 1 1 . . . . . . . . 1 24 CYS HN parsed_1pqr 2
301 1 2 . . . . . . . . 1 21 PRO HB2 parsed_1pqr 2
302 1 1 . . . . . . . . 1 24 CYS HN parsed_1pqr 2
302 1 2 . . . . . . . . 1 22 PRO HA parsed_1pqr 2
303 1 1 . . . . . . . . 1 24 CYS HN parsed_1pqr 2
303 1 2 . . . . . . . . 1 23 TYR HA parsed_1pqr 2
304 1 1 . . . . . . . . 1 24 CYS HN parsed_1pqr 2
304 1 2 . . . . . . . . 1 23 TYR HD* parsed_1pqr 2
305 1 1 . . . . . . . . 1 24 CYS HA parsed_1pqr 2
305 1 2 . . . . . . . . 1 24 CYS HB1 parsed_1pqr 2
306 1 1 . . . . . . . . 1 24 CYS HA parsed_1pqr 2
306 1 2 . . . . . . . . 1 24 CYS HB2 parsed_1pqr 2
307 1 1 . . . . . . . . 1 24 CYS HB1 parsed_1pqr 2
307 1 2 . . . . . . . . 1 20 ARG+ HB2 parsed_1pqr 2
308 1 1 . . . . . . . . 1 24 CYS HB1 parsed_1pqr 2
308 1 2 . . . . . . . . 1 20 ARG+ HG1 parsed_1pqr 2
309 1 1 . . . . . . . . 1 24 CYS HB2 parsed_1pqr 2
309 1 2 . . . . . . . . 1 20 ARG+ HB2 parsed_1pqr 2
310 1 1 . . . . . . . . 1 24 CYS HB2 parsed_1pqr 2
310 1 2 . . . . . . . . 1 20 ARG+ HG1 parsed_1pqr 2
311 1 1 . . . . . . . . 1 24 CYS HB2 parsed_1pqr 2
311 1 2 . . . . . . . . 1 20 ARG+ HG2 parsed_1pqr 2
312 1 1 . . . . . . . . 1 24 CYS HN parsed_1pqr 2
312 1 2 . . . . . . . . 1 14 CYS HB1 parsed_1pqr 2
313 1 1 . . . . . . . . 1 24 CYS HN parsed_1pqr 2
313 1 2 . . . . . . . . 1 23 TYR HE* parsed_1pqr 2
314 1 1 . . . . . . . . 1 25 ASP HN parsed_1pqr 2
314 1 2 . . . . . . . . 1 25 ASP HA parsed_1pqr 2
315 1 1 . . . . . . . . 1 25 ASP HN parsed_1pqr 2
315 1 2 . . . . . . . . 1 25 ASP HB2 parsed_1pqr 2
316 1 1 . . . . . . . . 1 25 ASP HN parsed_1pqr 2
316 1 2 . . . . . . . . 1 24 CYS HA parsed_1pqr 2
317 1 1 . . . . . . . . 1 25 ASP HN parsed_1pqr 2
317 1 2 . . . . . . . . 1 24 CYS HB1 parsed_1pqr 2
318 1 1 . . . . . . . . 1 25 ASP HN parsed_1pqr 2
318 1 2 . . . . . . . . 1 24 CYS HB2 parsed_1pqr 2
319 1 1 . . . . . . . . 1 25 ASP HN parsed_1pqr 2
319 1 2 . . . . . . . . 1 24 CYS HN parsed_1pqr 2
320 1 1 . . . . . . . . 1 25 ASP HN parsed_1pqr 2
320 1 2 . . . . . . . . 1 23 TYR HA parsed_1pqr 2
321 1 1 . . . . . . . . 1 25 ASP HA parsed_1pqr 2
321 1 2 . . . . . . . . 1 25 ASP HB1 parsed_1pqr 2
322 1 1 . . . . . . . . 1 25 ASP HN parsed_1pqr 2
322 1 2 . . . . . . . . 1 23 TYR HN parsed_1pqr 2
323 1 1 . . . . . . . . 1 25 ASP HA parsed_1pqr 2
323 1 2 . . . . . . . . 1 26 ARG+ HN parsed_1pqr 2
324 1 1 . . . . . . . . 1 26 ARG+ HN parsed_1pqr 2
324 1 2 . . . . . . . . 1 26 ARG+ HA parsed_1pqr 2
325 1 1 . . . . . . . . 1 26 ARG+ HN parsed_1pqr 2
325 1 2 . . . . . . . . 1 26 ARG+ HB1 parsed_1pqr 2
326 1 1 . . . . . . . . 1 26 ARG+ HN parsed_1pqr 2
326 1 2 . . . . . . . . 1 26 ARG+ HB2 parsed_1pqr 2
327 1 1 . . . . . . . . 1 26 ARG+ HN parsed_1pqr 2
327 1 2 . . . . . . . . 1 26 ARG+ HG* parsed_1pqr 2
328 1 1 . . . . . . . . 1 26 ARG+ HN parsed_1pqr 2
328 1 2 . . . . . . . . 1 25 ASP HA parsed_1pqr 2
329 1 1 . . . . . . . . 1 26 ARG+ HN parsed_1pqr 2
329 1 2 . . . . . . . . 1 25 ASP HB1 parsed_1pqr 2
330 1 1 . . . . . . . . 1 26 ARG+ HN parsed_1pqr 2
330 1 2 . . . . . . . . 1 25 ASP HB2 parsed_1pqr 2
331 1 1 . . . . . . . . 1 26 ARG+ HN parsed_1pqr 2
331 1 2 . . . . . . . . 1 24 CYS HN parsed_1pqr 2
332 1 1 . . . . . . . . 1 26 ARG+ HN parsed_1pqr 2
332 1 2 . . . . . . . . 1 23 TYR HA parsed_1pqr 2
333 1 1 . . . . . . . . 1 26 ARG+ HA parsed_1pqr 2
333 1 2 . . . . . . . . 1 26 ARG+ HB1 parsed_1pqr 2
334 1 1 . . . . . . . . 1 26 ARG+ HA parsed_1pqr 2
334 1 2 . . . . . . . . 1 26 ARG+ HG* parsed_1pqr 2
335 1 1 . . . . . . . . 1 26 ARG+ HA parsed_1pqr 2
335 1 2 . . . . . . . . 1 27 PRO HD1 parsed_1pqr 2
336 1 1 . . . . . . . . 1 26 ARG+ HA parsed_1pqr 2
336 1 2 . . . . . . . . 1 27 PRO HD2 parsed_1pqr 2
337 1 1 . . . . . . . . 1 26 ARG+ HD* parsed_1pqr 2
337 1 2 . . . . . . . . 1 26 ARG+ HB1 parsed_1pqr 2
338 1 1 . . . . . . . . 1 26 ARG+ HD* parsed_1pqr 2
338 1 2 . . . . . . . . 1 26 ARG+ HB2 parsed_1pqr 2
339 1 1 . . . . . . . . 1 26 ARG+ HN parsed_1pqr 2
339 1 2 . . . . . . . . 1 26 ARG+ HD* parsed_1pqr 2
340 1 1 . . . . . . . . 1 27 PRO HD1 parsed_1pqr 2
340 1 2 . . . . . . . . 1 26 ARG+ HG* parsed_1pqr 2
341 1 1 . . . . . . . . 1 27 PRO HD2 parsed_1pqr 2
341 1 2 . . . . . . . . 1 26 ARG+ HB1 parsed_1pqr 2
342 1 1 . . . . . . . . 1 27 PRO HD2 parsed_1pqr 2
342 1 2 . . . . . . . . 1 27 PRO HB2 parsed_1pqr 2
343 1 1 . . . . . . . . 1 27 PRO HG parsed_1pqr 2
343 1 2 . . . . . . . . 1 27 PRO HB1 parsed_1pqr 2
344 1 1 . . . . . . . . 1 27 PRO HG parsed_1pqr 2
344 1 2 . . . . . . . . 1 27 PRO HB2 parsed_1pqr 2
345 1 1 . . . . . . . . 1 27 PRO HG parsed_1pqr 2
345 1 2 . . . . . . . . 1 27 PRO HD1 parsed_1pqr 2
346 1 1 . . . . . . . . 1 27 PRO HG parsed_1pqr 2
346 1 2 . . . . . . . . 1 27 PRO HD2 parsed_1pqr 2
347 1 1 . . . . . . . . 1 27 PRO HA parsed_1pqr 2
347 1 2 . . . . . . . . 1 29 GLY HN parsed_1pqr 2
348 1 1 . . . . . . . . 1 28 SER HN parsed_1pqr 2
348 1 2 . . . . . . . . 1 29 GLY HN parsed_1pqr 2
349 1 1 . . . . . . . . 1 28 SER HN parsed_1pqr 2
349 1 2 . . . . . . . . 1 27 PRO HA parsed_1pqr 2
350 1 1 . . . . . . . . 1 28 SER HN parsed_1pqr 2
350 1 2 . . . . . . . . 1 27 PRO HB2 parsed_1pqr 2
351 1 1 . . . . . . . . 1 28 SER HN parsed_1pqr 2
351 1 2 . . . . . . . . 1 28 SER HA parsed_1pqr 2
352 1 1 . . . . . . . . 1 28 SER HN parsed_1pqr 2
352 1 2 . . . . . . . . 1 28 SER HB* parsed_1pqr 2
353 1 1 . . . . . . . . 1 29 GLY HN parsed_1pqr 2
353 1 2 . . . . . . . . 1 28 SER HA parsed_1pqr 2
354 1 1 . . . . . . . . 1 29 GLY HN parsed_1pqr 2
354 1 2 . . . . . . . . 1 28 SER HB* parsed_1pqr 2
355 1 1 . . . . . . . . 1 30 GLY HN parsed_1pqr 2
355 1 2 . . . . . . . . 1 29 GLY HA* parsed_1pqr 2
356 1 1 . . . . . . . . 1 30 GLY HN parsed_1pqr 2
356 1 2 . . . . . . . . 1 29 GLY HN parsed_1pqr 2
357 1 1 . . . . . . . . 1 30 GLY HN parsed_1pqr 2
357 1 2 . . . . . . . . 1 30 GLY HA* parsed_1pqr 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 . . . . . . 1.800 3.895 parsed_1pqr 2
2 1 . . . . . . 1.800 4.458 parsed_1pqr 2
3 1 . . . . . . 1.800 3.474 parsed_1pqr 2
4 1 . . . . . . 1.800 3.600 parsed_1pqr 2
5 1 . . . . . . 1.800 3.300 parsed_1pqr 2
6 1 . . . . . . 1.800 6.000 parsed_1pqr 2
7 1 . . . . . . 1.800 4.747 parsed_1pqr 2
8 1 . . . . . . 1.800 3.148 parsed_1pqr 2
9 1 . . . . . . 1.800 4.479 parsed_1pqr 2
10 1 . . . . . . 1.800 3.188 parsed_1pqr 2
11 1 . . . . . . 5.000 30.00 parsed_1pqr 2
12 1 . . . . . . 5.000 30.00 parsed_1pqr 2
13 1 . . . . . . 5.000 30.00 parsed_1pqr 2
14 1 . . . . . . 2.600 3.600 parsed_1pqr 2
15 1 . . . . . . 1.800 3.300 parsed_1pqr 2
16 1 . . . . . . 1.800 3.941 parsed_1pqr 2
17 1 . . . . . . 1.800 3.268 parsed_1pqr 2
18 1 . . . . . . 1.800 3.132 parsed_1pqr 2
19 1 . . . . . . 1.800 4.069 parsed_1pqr 2
20 1 . . . . . . 1.800 3.071 parsed_1pqr 2
21 1 . . . . . . 1.800 3.107 parsed_1pqr 2
22 1 . . . . . . 1.800 2.855 parsed_1pqr 2
23 1 . . . . . . 1.800 3.003 parsed_1pqr 2
24 1 . . . . . . 5.000 30.00 parsed_1pqr 2
25 1 . . . . . . 5.000 30.00 parsed_1pqr 2
26 1 . . . . . . 5.000 30.00 parsed_1pqr 2
27 1 . . . . . . 5.000 30.00 parsed_1pqr 2
28 1 . . . . . . 5.000 30.00 parsed_1pqr 2
29 1 . . . . . . 5.000 30.00 parsed_1pqr 2
30 1 . . . . . . 5.000 30.00 parsed_1pqr 2
31 1 . . . . . . 5.000 30.00 parsed_1pqr 2
32 1 . . . . . . 5.000 30.00 parsed_1pqr 2
33 1 . . . . . . 5.000 30.00 parsed_1pqr 2
34 1 . . . . . . 2.500 4.000 parsed_1pqr 2
35 1 . . . . . . 1.800 7.000 parsed_1pqr 2
36 1 . . . . . . 1.800 5.000 parsed_1pqr 2
37 1 . . . . . . 1.800 4.125 parsed_1pqr 2
38 1 . . . . . . 1.800 3.044 parsed_1pqr 2
39 1 . . . . . . 1.800 3.122 parsed_1pqr 2
40 1 . . . . . . 1.800 3.129 parsed_1pqr 2
41 1 . . . . . . 1.800 3.613 parsed_1pqr 2
42 1 . . . . . . 1.800 3.800 parsed_1pqr 2
43 1 . . . . . . 1.800 5.104 parsed_1pqr 2
44 1 . . . . . . 1.800 3.125 parsed_1pqr 2
45 1 . . . . . . 1.800 2.911 parsed_1pqr 2
46 1 . . . . . . 1.800 5.007 parsed_1pqr 2
47 1 . . . . . . 1.800 2.913 parsed_1pqr 2
48 1 . . . . . . 1.800 3.138 parsed_1pqr 2
49 1 . . . . . . 5.000 30.00 parsed_1pqr 2
50 1 . . . . . . 5.000 30.00 parsed_1pqr 2
51 1 . . . . . . 5.000 30.00 parsed_1pqr 2
52 1 . . . . . . 5.000 30.00 parsed_1pqr 2
53 1 . . . . . . 5.000 30.00 parsed_1pqr 2
54 1 . . . . . . 5.000 30.00 parsed_1pqr 2
55 1 . . . . . . 5.000 30.00 parsed_1pqr 2
56 1 . . . . . . 5.000 30.00 parsed_1pqr 2
57 1 . . . . . . 5.000 30.00 parsed_1pqr 2
58 1 . . . . . . 5.000 30.00 parsed_1pqr 2
59 1 . . . . . . 5.000 30.00 parsed_1pqr 2
60 1 . . . . . . 5.000 30.00 parsed_1pqr 2
61 1 . . . . . . 1.800 4.505 parsed_1pqr 2
62 1 . . . . . . 1.800 3.661 parsed_1pqr 2
63 1 . . . . . . 1.800 3.144 parsed_1pqr 2
64 1 . . . . . . 1.800 6.724 parsed_1pqr 2
65 1 . . . . . . 1.800 4.073 parsed_1pqr 2
66 1 . . . . . . 1.800 3.442 parsed_1pqr 2
67 1 . . . . . . 1.800 3.103 parsed_1pqr 2
68 1 . . . . . . 1.800 7.153 parsed_1pqr 2
69 1 . . . . . . 1.800 7.005 parsed_1pqr 2
70 1 . . . . . . 1.800 5.417 parsed_1pqr 2
71 1 . . . . . . 1.800 5.234 parsed_1pqr 2
72 1 . . . . . . 1.800 5.590 parsed_1pqr 2
73 1 . . . . . . 1.800 8.821 parsed_1pqr 2
74 1 . . . . . . 1.800 9.500 parsed_1pqr 2
75 1 . . . . . . 1.800 6.454 parsed_1pqr 2
76 1 . . . . . . 1.800 7.104 parsed_1pqr 2
77 1 . . . . . . 2.300 3.300 parsed_1pqr 2
78 1 . . . . . . 1.800 7.000 parsed_1pqr 2
79 1 . . . . . . 1.800 7.000 parsed_1pqr 2
80 1 . . . . . . 1.800 7.000 parsed_1pqr 2
81 1 . . . . . . 1.800 7.000 parsed_1pqr 2
82 1 . . . . . . 1.800 7.000 parsed_1pqr 2
83 1 . . . . . . 1.800 6.000 parsed_1pqr 2
84 1 . . . . . . 1.800 7.000 parsed_1pqr 2
85 1 . . . . . . 1.800 7.000 parsed_1pqr 2
86 1 . . . . . . 1.800 7.000 parsed_1pqr 2
87 1 . . . . . . 1.800 2.886 parsed_1pqr 2
88 1 . . . . . . 1.800 5.058 parsed_1pqr 2
89 1 . . . . . . 1.800 4.427 parsed_1pqr 2
90 1 . . . . . . 1.800 3.141 parsed_1pqr 2
91 1 . . . . . . 1.800 2.895 parsed_1pqr 2
92 1 . . . . . . 1.800 4.221 parsed_1pqr 2
93 1 . . . . . . 1.800 4.771 parsed_1pqr 2
94 1 . . . . . . 1.800 2.833 parsed_1pqr 2
95 1 . . . . . . 1.800 4.546 parsed_1pqr 2
96 1 . . . . . . 1.800 6.838 parsed_1pqr 2
97 1 . . . . . . 1.800 4.362 parsed_1pqr 2
98 1 . . . . . . 1.800 5.000 parsed_1pqr 2
99 1 . . . . . . 2.500 3.600 parsed_1pqr 2
100 1 . . . . . . 1.800 5.000 parsed_1pqr 2
101 1 . . . . . . 1.800 3.386 parsed_1pqr 2
102 1 . . . . . . 1.800 3.150 parsed_1pqr 2
103 1 . . . . . . 1.800 4.493 parsed_1pqr 2
104 1 . . . . . . 1.800 4.779 parsed_1pqr 2
105 1 . . . . . . 1.800 4.034 parsed_1pqr 2
106 1 . . . . . . 1.800 5.000 parsed_1pqr 2
107 1 . . . . . . 2.500 4.000 parsed_1pqr 2
108 1 . . . . . . 2.400 3.336 parsed_1pqr 2
109 1 . . . . . . 1.800 4.328 parsed_1pqr 2
110 1 . . . . . . 2.500 3.566 parsed_1pqr 2
111 1 . . . . . . 1.800 4.873 parsed_1pqr 2
112 1 . . . . . . 1.800 2.978 parsed_1pqr 2
113 1 . . . . . . 1.800 4.017 parsed_1pqr 2
114 1 . . . . . . 1.800 3.439 parsed_1pqr 2
115 1 . . . . . . 1.800 5.516 parsed_1pqr 2
116 1 . . . . . . 1.800 4.537 parsed_1pqr 2
117 1 . . . . . . 1.800 3.587 parsed_1pqr 2
118 1 . . . . . . 1.800 2.960 parsed_1pqr 2
119 1 . . . . . . 1.800 2.825 parsed_1pqr 2
120 1 . . . . . . 1.800 2.979 parsed_1pqr 2
121 1 . . . . . . 1.800 2.933 parsed_1pqr 2
122 1 . . . . . . 1.800 5.000 parsed_1pqr 2
123 1 . . . . . . 1.800 5.000 parsed_1pqr 2
124 1 . . . . . . 1.800 2.472 parsed_1pqr 2
125 1 . . . . . . 1.800 4.464 parsed_1pqr 2
126 1 . . . . . . 1.800 5.128 parsed_1pqr 2
127 1 . . . . . . 1.800 5.362 parsed_1pqr 2
128 1 . . . . . . 1.800 3.817 parsed_1pqr 2
129 1 . . . . . . 1.800 3.566 parsed_1pqr 2
130 1 . . . . . . 1.800 3.142 parsed_1pqr 2
131 1 . . . . . . 1.800 4.877 parsed_1pqr 2
132 1 . . . . . . 1.800 2.978 parsed_1pqr 2
133 1 . . . . . . 1.800 3.294 parsed_1pqr 2
134 1 . . . . . . 1.800 2.771 parsed_1pqr 2
135 1 . . . . . . 1.800 2.968 parsed_1pqr 2
136 1 . . . . . . 1.800 4.714 parsed_1pqr 2
137 1 . . . . . . 1.800 4.837 parsed_1pqr 2
138 1 . . . . . . 1.800 4.232 parsed_1pqr 2
139 1 . . . . . . 1.800 5.000 parsed_1pqr 2
140 1 . . . . . . 1.800 5.000 parsed_1pqr 2
141 1 . . . . . . 1.800 2.968 parsed_1pqr 2
142 1 . . . . . . 1.800 3.218 parsed_1pqr 2
143 1 . . . . . . 1.800 3.711 parsed_1pqr 2
144 1 . . . . . . 1.800 3.196 parsed_1pqr 2
145 1 . . . . . . 1.800 3.350 parsed_1pqr 2
146 1 . . . . . . 1.800 2.944 parsed_1pqr 2
147 1 . . . . . . 1.800 3.111 parsed_1pqr 2
148 1 . . . . . . 1.800 4.774 parsed_1pqr 2
149 1 . . . . . . 1.800 4.116 parsed_1pqr 2
150 1 . . . . . . 2.500 4.672 parsed_1pqr 2
151 1 . . . . . . 1.800 3.533 parsed_1pqr 2
152 1 . . . . . . 1.800 4.353 parsed_1pqr 2
153 1 . . . . . . 1.800 3.645 parsed_1pqr 2
154 1 . . . . . . 1.800 3.242 parsed_1pqr 2
155 1 . . . . . . 1.800 2.642 parsed_1pqr 2
156 1 . . . . . . 1.800 3.296 parsed_1pqr 2
157 1 . . . . . . 2.500 5.000 parsed_1pqr 2
158 1 . . . . . . 1.800 5.000 parsed_1pqr 2
159 1 . . . . . . 1.800 5.000 parsed_1pqr 2
160 1 . . . . . . 1.800 5.000 parsed_1pqr 2
161 1 . . . . . . 1.800 5.000 parsed_1pqr 2
162 1 . . . . . . 1.800 6.000 parsed_1pqr 2
163 1 . . . . . . 1.800 4.915 parsed_1pqr 2
164 1 . . . . . . 1.800 4.596 parsed_1pqr 2
165 1 . . . . . . 1.800 3.126 parsed_1pqr 2
166 1 . . . . . . 1.800 4.067 parsed_1pqr 2
167 1 . . . . . . 1.800 4.239 parsed_1pqr 2
168 1 . . . . . . 2.300 3.755 parsed_1pqr 2
169 1 . . . . . . 2.300 3.625 parsed_1pqr 2
170 1 . . . . . . 1.800 3.600 parsed_1pqr 2
171 1 . . . . . . 1.800 3.300 parsed_1pqr 2
172 1 . . . . . . 1.800 5.000 parsed_1pqr 2
173 1 . . . . . . 1.800 2.919 parsed_1pqr 2
174 1 . . . . . . 2.500 4.107 parsed_1pqr 2
175 1 . . . . . . 2.500 4.048 parsed_1pqr 2
176 1 . . . . . . 1.800 3.211 parsed_1pqr 2
177 1 . . . . . . 1.800 4.717 parsed_1pqr 2
178 1 . . . . . . 1.800 4.568 parsed_1pqr 2
179 1 . . . . . . 1.800 4.244 parsed_1pqr 2
180 1 . . . . . . 1.800 3.500 parsed_1pqr 2
181 1 . . . . . . 1.800 5.000 parsed_1pqr 2
182 1 . . . . . . 1.800 5.000 parsed_1pqr 2
183 1 . . . . . . 1.800 3.054 parsed_1pqr 2
184 1 . . . . . . 1.800 3.452 parsed_1pqr 2
185 1 . . . . . . 1.800 3.247 parsed_1pqr 2
186 1 . . . . . . 1.800 3.036 parsed_1pqr 2
187 1 . . . . . . 1.800 4.308 parsed_1pqr 2
188 1 . . . . . . 1.800 3.079 parsed_1pqr 2
189 1 . . . . . . 1.800 2.834 parsed_1pqr 2
190 1 . . . . . . 1.800 2.872 parsed_1pqr 2
191 1 . . . . . . 1.800 3.536 parsed_1pqr 2
192 1 . . . . . . 1.800 3.600 parsed_1pqr 2
193 1 . . . . . . 1.800 5.000 parsed_1pqr 2
194 1 . . . . . . 1.800 3.543 parsed_1pqr 2
195 1 . . . . . . 1.800 3.687 parsed_1pqr 2
196 1 . . . . . . 2.307 3.307 parsed_1pqr 2
197 1 . . . . . . 1.800 2.981 parsed_1pqr 2
198 1 . . . . . . 1.800 3.224 parsed_1pqr 2
199 1 . . . . . . 1.800 2.848 parsed_1pqr 2
200 1 . . . . . . 1.800 5.182 parsed_1pqr 2
201 1 . . . . . . 1.800 3.138 parsed_1pqr 2
202 1 . . . . . . 1.800 4.536 parsed_1pqr 2
203 1 . . . . . . 1.800 4.309 parsed_1pqr 2
204 1 . . . . . . 1.800 3.125 parsed_1pqr 2
205 1 . . . . . . 1.800 3.500 parsed_1pqr 2
206 1 . . . . . . 1.800 3.500 parsed_1pqr 2
207 1 . . . . . . 1.800 2.642 parsed_1pqr 2
208 1 . . . . . . 1.800 3.885 parsed_1pqr 2
209 1 . . . . . . 1.800 7.356 parsed_1pqr 2
210 1 . . . . . . 1.800 3.382 parsed_1pqr 2
211 1 . . . . . . 1.800 2.986 parsed_1pqr 2
212 1 . . . . . . 1.800 3.206 parsed_1pqr 2
213 1 . . . . . . 1.800 3.527 parsed_1pqr 2
214 1 . . . . . . 1.800 3.527 parsed_1pqr 2
215 1 . . . . . . 1.800 3.594 parsed_1pqr 2
216 1 . . . . . . 1.800 2.903 parsed_1pqr 2
217 1 . . . . . . 1.800 3.102 parsed_1pqr 2
218 1 . . . . . . 1.800 2.428 parsed_1pqr 2
219 1 . . . . . . 1.800 2.338 parsed_1pqr 2
220 1 . . . . . . 1.800 3.465 parsed_1pqr 2
221 1 . . . . . . 1.800 3.225 parsed_1pqr 2
222 1 . . . . . . 1.800 3.104 parsed_1pqr 2
223 1 . . . . . . 1.800 3.025 parsed_1pqr 2
224 1 . . . . . . 1.800 3.287 parsed_1pqr 2
225 1 . . . . . . 1.800 3.013 parsed_1pqr 2
226 1 . . . . . . 1.800 3.031 parsed_1pqr 2
227 1 . . . . . . 1.800 3.039 parsed_1pqr 2
228 1 . . . . . . 1.800 3.998 parsed_1pqr 2
229 1 . . . . . . 1.800 3.799 parsed_1pqr 2
230 1 . . . . . . 1.800 3.311 parsed_1pqr 2
231 1 . . . . . . 1.800 3.139 parsed_1pqr 2
232 1 . . . . . . 1.800 3.670 parsed_1pqr 2
233 1 . . . . . . 1.800 3.605 parsed_1pqr 2
234 1 . . . . . . 1.800 3.915 parsed_1pqr 2
235 1 . . . . . . 1.800 5.000 parsed_1pqr 2
236 1 . . . . . . 1.800 3.084 parsed_1pqr 2
237 1 . . . . . . 1.800 3.640 parsed_1pqr 2
238 1 . . . . . . 1.800 3.389 parsed_1pqr 2
239 1 . . . . . . 1.800 4.898 parsed_1pqr 2
240 1 . . . . . . 1.800 4.573 parsed_1pqr 2
241 1 . . . . . . 1.800 4.002 parsed_1pqr 2
242 1 . . . . . . 1.800 3.755 parsed_1pqr 2
243 1 . . . . . . 1.800 4.011 parsed_1pqr 2
244 1 . . . . . . 1.800 3.750 parsed_1pqr 2
245 1 . . . . . . 1.800 3.683 parsed_1pqr 2
246 1 . . . . . . 1.800 4.701 parsed_1pqr 2
247 1 . . . . . . 1.800 4.277 parsed_1pqr 2
248 1 . . . . . . 1.800 3.674 parsed_1pqr 2
249 1 . . . . . . 1.800 3.653 parsed_1pqr 2
250 1 . . . . . . 1.800 3.496 parsed_1pqr 2
251 1 . . . . . . 1.800 3.447 parsed_1pqr 2
252 1 . . . . . . 1.800 2.940 parsed_1pqr 2
253 1 . . . . . . 1.800 2.830 parsed_1pqr 2
254 1 . . . . . . 1.800 3.070 parsed_1pqr 2
255 1 . . . . . . 1.800 3.012 parsed_1pqr 2
256 1 . . . . . . 1.800 2.859 parsed_1pqr 2
257 1 . . . . . . 1.800 3.132 parsed_1pqr 2
258 1 . . . . . . 1.800 3.175 parsed_1pqr 2
259 1 . . . . . . 1.800 4.295 parsed_1pqr 2
260 1 . . . . . . 1.800 3.657 parsed_1pqr 2
261 1 . . . . . . 1.800 3.158 parsed_1pqr 2
262 1 . . . . . . 1.800 5.098 parsed_1pqr 2
263 1 . . . . . . 1.800 4.430 parsed_1pqr 2
264 1 . . . . . . 1.800 3.735 parsed_1pqr 2
265 1 . . . . . . 1.800 2.968 parsed_1pqr 2
266 1 . . . . . . 1.800 3.010 parsed_1pqr 2
267 1 . . . . . . 1.800 3.326 parsed_1pqr 2
268 1 . . . . . . 1.800 3.267 parsed_1pqr 2
269 1 . . . . . . 1.800 3.750 parsed_1pqr 2
270 1 . . . . . . 1.800 3.009 parsed_1pqr 2
271 1 . . . . . . 1.800 3.340 parsed_1pqr 2
272 1 . . . . . . 1.800 3.598 parsed_1pqr 2
273 1 . . . . . . 1.800 4.058 parsed_1pqr 2
274 1 . . . . . . 1.800 3.285 parsed_1pqr 2
275 1 . . . . . . 1.800 3.129 parsed_1pqr 2
276 1 . . . . . . 1.800 3.285 parsed_1pqr 2
277 1 . . . . . . 1.800 3.120 parsed_1pqr 2
278 1 . . . . . . 1.800 5.460 parsed_1pqr 2
279 1 . . . . . . 1.800 6.760 parsed_1pqr 2
280 1 . . . . . . 1.800 2.691 parsed_1pqr 2
281 1 . . . . . . 1.800 2.725 parsed_1pqr 2
282 1 . . . . . . 1.800 5.811 parsed_1pqr 2
283 1 . . . . . . 1.800 5.860 parsed_1pqr 2
284 1 . . . . . . 1.800 5.883 parsed_1pqr 2
285 1 . . . . . . 1.800 6.956 parsed_1pqr 2
286 1 . . . . . . 1.800 5.805 parsed_1pqr 2
287 1 . . . . . . 1.800 5.056 parsed_1pqr 2
288 1 . . . . . . 1.800 4.921 parsed_1pqr 2
289 1 . . . . . . 1.800 5.353 parsed_1pqr 2
290 1 . . . . . . 1.800 6.634 parsed_1pqr 2
291 1 . . . . . . 1.800 6.422 parsed_1pqr 2
292 1 . . . . . . 1.800 5.761 parsed_1pqr 2
293 1 . . . . . . 1.800 5.829 parsed_1pqr 2
294 1 . . . . . . 1.800 6.120 parsed_1pqr 2
295 1 . . . . . . 1.800 6.596 parsed_1pqr 2
296 1 . . . . . . 1.800 6.380 parsed_1pqr 2
297 1 . . . . . . 1.800 7.000 parsed_1pqr 2
298 1 . . . . . . 1.800 3.285 parsed_1pqr 2
299 1 . . . . . . 1.800 3.316 parsed_1pqr 2
300 1 . . . . . . 1.800 2.810 parsed_1pqr 2
301 1 . . . . . . 1.800 3.471 parsed_1pqr 2
302 1 . . . . . . 1.800 4.217 parsed_1pqr 2
303 1 . . . . . . 1.800 3.783 parsed_1pqr 2
304 1 . . . . . . 1.800 6.223 parsed_1pqr 2
305 1 . . . . . . 1.800 2.824 parsed_1pqr 2
306 1 . . . . . . 1.800 3.177 parsed_1pqr 2
307 1 . . . . . . 1.800 3.944 parsed_1pqr 2
308 1 . . . . . . 1.800 4.818 parsed_1pqr 2
309 1 . . . . . . 1.800 3.810 parsed_1pqr 2
310 1 . . . . . . 1.800 3.465 parsed_1pqr 2
311 1 . . . . . . 1.800 3.661 parsed_1pqr 2
312 1 . . . . . . 1.800 5.000 parsed_1pqr 2
313 1 . . . . . . 1.800 7.000 parsed_1pqr 2
314 1 . . . . . . 1.800 3.000 parsed_1pqr 2
315 1 . . . . . . 1.800 2.840 parsed_1pqr 2
316 1 . . . . . . 1.800 3.249 parsed_1pqr 2
317 1 . . . . . . 1.800 3.799 parsed_1pqr 2
318 1 . . . . . . 1.800 3.019 parsed_1pqr 2
319 1 . . . . . . 1.800 3.065 parsed_1pqr 2
320 1 . . . . . . 1.800 4.269 parsed_1pqr 2
321 1 . . . . . . 1.800 3.154 parsed_1pqr 2
322 1 . . . . . . 1.800 5.000 parsed_1pqr 2
323 1 . . . . . . 1.800 6.000 parsed_1pqr 2
324 1 . . . . . . 1.800 3.500 parsed_1pqr 2
325 1 . . . . . . 1.800 2.865 parsed_1pqr 2
326 1 . . . . . . 1.800 2.976 parsed_1pqr 2
327 1 . . . . . . 1.800 4.468 parsed_1pqr 2
328 1 . . . . . . 1.800 3.901 parsed_1pqr 2
329 1 . . . . . . 1.800 3.569 parsed_1pqr 2
330 1 . . . . . . 1.800 3.427 parsed_1pqr 2
331 1 . . . . . . 1.800 3.437 parsed_1pqr 2
332 1 . . . . . . 1.800 4.686 parsed_1pqr 2
333 1 . . . . . . 1.800 3.463 parsed_1pqr 2
334 1 . . . . . . 1.800 5.021 parsed_1pqr 2
335 1 . . . . . . 1.800 3.163 parsed_1pqr 2
336 1 . . . . . . 1.800 3.203 parsed_1pqr 2
337 1 . . . . . . 1.800 4.640 parsed_1pqr 2
338 1 . . . . . . 1.800 4.766 parsed_1pqr 2
339 1 . . . . . . 1.800 5.000 parsed_1pqr 2
340 1 . . . . . . 1.800 5.825 parsed_1pqr 2
341 1 . . . . . . 1.800 3.499 parsed_1pqr 2
342 1 . . . . . . 1.800 3.224 parsed_1pqr 2
343 1 . . . . . . 1.800 2.764 parsed_1pqr 2
344 1 . . . . . . 1.800 2.820 parsed_1pqr 2
345 1 . . . . . . 1.800 3.171 parsed_1pqr 2
346 1 . . . . . . 1.800 3.067 parsed_1pqr 2
347 1 . . . . . . 1.800 6.000 parsed_1pqr 2
348 1 . . . . . . 1.800 4.514 parsed_1pqr 2
349 1 . . . . . . 1.800 3.291 parsed_1pqr 2
350 1 . . . . . . 1.800 4.498 parsed_1pqr 2
351 1 . . . . . . 1.800 2.833 parsed_1pqr 2
352 1 . . . . . . 1.800 4.587 parsed_1pqr 2
353 1 . . . . . . 2.500 3.750 parsed_1pqr 2
354 1 . . . . . . 1.800 4.835 parsed_1pqr 2
355 1 . . . . . . 1.800 5.000 parsed_1pqr 2
356 1 . . . . . . 1.800 5.000 parsed_1pqr 2
357 1 . . . . . . 1.800 5.000 parsed_1pqr 2
stop_
save_
save_MR_file_comment_5
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1pqr
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 5
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
#mixing_times
2.000000E-02
!
;
save_
save_Discover_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1pqr
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 6
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 -90.000 . 1 2 CYS C 1 3 CYS N 1 3 CYS CA 1 3 CYS C parsed_1pqr 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 -90.000 . 1 5 PRO C 1 6 TYR N 1 6 TYR CA 1 6 TYR C parsed_1pqr 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . 1 8 ASN C 1 9 ALA N 1 9 ALA CA 1 9 ALA C parsed_1pqr 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 -90.000 . 1 11 CYS C 1 12 HIS+ N 1 12 HIS+ CA 1 12 HIS+ C parsed_1pqr 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . 1 15 GLY C 1 16 CYS N 1 16 CYS CA 1 16 CYS C parsed_1pqr 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 -90.000 . 1 17 LYS+ C 1 18 VAL N 1 18 VAL CA 1 18 VAL C parsed_1pqr 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . 1 22 PRO C 1 23 TYR N 1 23 TYR CA 1 23 TYR C parsed_1pqr 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . 1 23 TYR C 1 24 CYS N 1 24 CYS CA 1 24 CYS C parsed_1pqr 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 -90.000 . 1 24 CYS C 1 25 ASP N 1 25 ASP CA 1 25 ASP C parsed_1pqr 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -60.000 . 1 1 GLYn C 1 2 CYS N 1 2 CYS CA 1 2 CYS C parsed_1pqr 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.000 -60.000 . 1 7 PRO C 1 8 ASN N 1 8 ASN CA 1 8 ASN C parsed_1pqr 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . 1 23 TYR N 1 23 TYR CA 1 23 TYR CB 1 23 TYR CG parsed_1pqr 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -30.000 . 1 3 CYS N 1 3 CYS CA 1 3 CYS CB 1 3 CYS SG parsed_1pqr 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -30.000 . 1 6 TYR N 1 6 TYR CA 1 6 TYR CB 1 6 TYR CG parsed_1pqr 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -30.000 . 1 12 HIS+ N 1 12 HIS+ CA 1 12 HIS+ CB 1 12 HIS+ CG parsed_1pqr 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -30.000 . 1 24 CYS N 1 24 CYS CA 1 24 CYS CB 1 24 CYS SG parsed_1pqr 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 25 ASP N 1 25 ASP CA 1 25 ASP CB 1 25 ASP CG parsed_1pqr 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 2 CYS N 1 2 CYS CA 1 2 CYS CB 1 2 CYS SG parsed_1pqr 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 11 CYS N 1 11 CYS CA 1 11 CYS CB 1 11 CYS SG parsed_1pqr 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 -150.000 . 1 14 CYS N 1 14 CYS CA 1 14 CYS CB 1 14 CYS SG parsed_1pqr 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . 1 16 CYS N 1 16 CYS CA 1 16 CYS CB 1 16 CYS SG parsed_1pqr 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.000 -170.000 . 1 15 GLY CA 1 15 GLY C 1 16 CYS N 1 16 CYS CA parsed_1pqr 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1 NMR_dihedral 1 1 1 13 parsed_1pqr 1
2 "Chi angle" 13 1 13 10 parsed_1pqr 1
3 "Omega angle" 24 1 24 12 parsed_1pqr 1
stop_
save_
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