Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
36439 | 1nj3 RC | 5669 | cing | 2-parsed | STAR | entry | full | 331 |
data_1nj3_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1nj3
_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_1nj3 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1nj3
_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 1nj3 "Master copy" parsed_1nj3
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1nj3
_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 1nj3.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1nj3 1
1 1nj3.mr . . XPLOR/CNS 2 distance NOE simple 309 parsed_1nj3 1
1 1nj3.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1nj3 1
1 1nj3.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 8 parsed_1nj3 1
1 1nj3.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1nj3 1
1 1nj3.mr . . XPLOR/CNS 6 distance "general distance" simple 14 parsed_1nj3 1
1 1nj3.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1nj3 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_1nj3
_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 PROTEIN BINDING 30-DEC-02 1NJ3
*TITLE STRUCTURE AND UBIQUITIN INTERACTIONS OF THE CONSERVED NZF
*TITLE 2 DOMAIN OF NPL4
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: NPL4;
*COMPND 3 CHAIN: A;
*COMPND 4 FRAGMENT: NZF DOMAIN;
*COMPND 5 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS;
*SOURCE 3 ORGANISM_COMMON: RAT;
*SOURCE 4 GENE: NPL4;
*SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 6 EXPRESSION_SYSTEM_COMMON: BACTERIA;
*SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
*SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
*SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PGEX-4T
*KEYWDS NZF DOMAIN, NPL4, RUBREDOXIN KNUCKLE, BETA-RIBBON, ZINC-
*KEYWDS 2 FINGER, UBIQUITIN
*EXPDTA NMR, 20 STRUCTURES
*AUTHOR B.WANG, S.L.ALAM, H.H.MEYER, M.PAYNE, T.L.STEMMLER,
*AUTHOR 2 D.R.DAVIS, W.I.SUNDQUIST
*REVDAT 1 22-APR-03 1NJ3 0
;
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1nj3
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
_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_1nj3 1
2 1 . . . parsed_1nj3 1
3 1 . . . parsed_1nj3 1
4 1 . . . parsed_1nj3 1
5 1 . . . parsed_1nj3 1
6 1 . . . parsed_1nj3 1
7 1 . . . parsed_1nj3 1
8 1 . . . parsed_1nj3 1
9 1 . . . parsed_1nj3 1
10 1 . . . parsed_1nj3 1
11 1 . . . parsed_1nj3 1
12 1 . . . parsed_1nj3 1
13 1 . . . parsed_1nj3 1
14 1 . . . parsed_1nj3 1
15 1 . . . parsed_1nj3 1
16 1 . . . parsed_1nj3 1
17 1 . . . parsed_1nj3 1
18 1 . . . parsed_1nj3 1
19 1 . . . parsed_1nj3 1
20 1 . . . parsed_1nj3 1
21 1 . . . parsed_1nj3 1
22 1 . . . parsed_1nj3 1
23 1 . . . parsed_1nj3 1
24 1 . . . parsed_1nj3 1
25 1 . . . parsed_1nj3 1
26 1 . . . parsed_1nj3 1
27 1 . . . parsed_1nj3 1
28 1 . . . parsed_1nj3 1
29 1 . . . parsed_1nj3 1
30 1 . . . parsed_1nj3 1
31 1 . . . parsed_1nj3 1
32 1 . . . parsed_1nj3 1
33 1 . . . parsed_1nj3 1
34 1 . . . parsed_1nj3 1
35 1 . . . parsed_1nj3 1
36 1 . . . parsed_1nj3 1
37 1 . . . parsed_1nj3 1
38 1 . . . parsed_1nj3 1
39 1 . . . parsed_1nj3 1
40 1 . . . parsed_1nj3 1
41 1 . . . parsed_1nj3 1
42 1 . . . parsed_1nj3 1
43 1 . . . parsed_1nj3 1
44 1 . . . parsed_1nj3 1
45 1 . . . parsed_1nj3 1
46 1 . . . parsed_1nj3 1
47 1 . . . parsed_1nj3 1
48 1 . . . parsed_1nj3 1
49 1 . . . parsed_1nj3 1
50 1 . . . parsed_1nj3 1
51 1 . . . parsed_1nj3 1
52 1 . . . parsed_1nj3 1
53 1 . . . parsed_1nj3 1
54 1 . . . parsed_1nj3 1
55 1 . . . parsed_1nj3 1
56 1 . . . parsed_1nj3 1
57 1 . . . parsed_1nj3 1
58 1 . . . parsed_1nj3 1
59 1 . . . parsed_1nj3 1
60 1 . . . parsed_1nj3 1
61 1 . . . parsed_1nj3 1
62 1 . . . parsed_1nj3 1
63 1 . . . parsed_1nj3 1
64 1 . . . parsed_1nj3 1
65 1 . . . parsed_1nj3 1
66 1 . . . parsed_1nj3 1
67 1 . . . parsed_1nj3 1
68 1 . . . parsed_1nj3 1
69 1 . . . parsed_1nj3 1
70 1 . . . parsed_1nj3 1
71 1 . . . parsed_1nj3 1
72 1 . . . parsed_1nj3 1
73 1 . . . parsed_1nj3 1
74 1 . . . parsed_1nj3 1
75 1 . . . parsed_1nj3 1
76 1 . . . parsed_1nj3 1
77 1 . . . parsed_1nj3 1
78 1 . . . parsed_1nj3 1
79 1 . . . parsed_1nj3 1
80 1 . . . parsed_1nj3 1
81 1 . . . parsed_1nj3 1
82 1 . . . parsed_1nj3 1
83 1 . . . parsed_1nj3 1
84 1 . . . parsed_1nj3 1
85 1 . . . parsed_1nj3 1
86 1 . . . parsed_1nj3 1
87 1 . . . parsed_1nj3 1
88 1 . . . parsed_1nj3 1
89 1 . . . parsed_1nj3 1
90 1 . . . parsed_1nj3 1
91 1 . . . parsed_1nj3 1
92 1 . . . parsed_1nj3 1
93 1 . . . parsed_1nj3 1
94 1 . . . parsed_1nj3 1
95 1 . . . parsed_1nj3 1
96 1 . . . parsed_1nj3 1
97 1 . . . parsed_1nj3 1
98 1 . . . parsed_1nj3 1
99 1 . . . parsed_1nj3 1
100 1 . . . parsed_1nj3 1
101 1 . . . parsed_1nj3 1
102 1 . . . parsed_1nj3 1
103 1 . . . parsed_1nj3 1
104 1 . . . parsed_1nj3 1
105 1 . . . parsed_1nj3 1
106 1 . . . parsed_1nj3 1
107 1 . . . parsed_1nj3 1
108 1 . . . parsed_1nj3 1
109 1 . . . parsed_1nj3 1
110 1 . . . parsed_1nj3 1
111 1 . . . parsed_1nj3 1
112 1 . . . parsed_1nj3 1
113 1 . . . parsed_1nj3 1
114 1 . . . parsed_1nj3 1
115 1 . . . parsed_1nj3 1
116 1 . . . parsed_1nj3 1
117 1 . . . parsed_1nj3 1
118 1 . . . parsed_1nj3 1
119 1 . . . parsed_1nj3 1
120 1 . . . parsed_1nj3 1
121 1 . . . parsed_1nj3 1
122 1 . . . parsed_1nj3 1
123 1 . . . parsed_1nj3 1
124 1 . . . parsed_1nj3 1
125 1 . . . parsed_1nj3 1
126 1 . . . parsed_1nj3 1
127 1 . . . parsed_1nj3 1
128 1 . . . parsed_1nj3 1
129 1 . . . parsed_1nj3 1
130 1 . . . parsed_1nj3 1
131 1 . . . parsed_1nj3 1
132 1 . . . parsed_1nj3 1
133 1 . . . parsed_1nj3 1
134 1 . . . parsed_1nj3 1
135 1 . . . parsed_1nj3 1
136 1 . . . parsed_1nj3 1
137 1 . . . parsed_1nj3 1
138 1 . . . parsed_1nj3 1
139 1 . . . parsed_1nj3 1
140 1 . . . parsed_1nj3 1
141 1 . . . parsed_1nj3 1
142 1 . . . parsed_1nj3 1
143 1 . . . parsed_1nj3 1
144 1 . . . parsed_1nj3 1
145 1 . . . parsed_1nj3 1
146 1 . . . parsed_1nj3 1
147 1 . . . parsed_1nj3 1
148 1 . . . parsed_1nj3 1
149 1 . . . parsed_1nj3 1
150 1 . . . parsed_1nj3 1
151 1 . . . parsed_1nj3 1
152 1 . . . parsed_1nj3 1
153 1 . . . parsed_1nj3 1
154 1 . . . parsed_1nj3 1
155 1 . . . parsed_1nj3 1
156 1 . . . parsed_1nj3 1
157 1 . . . parsed_1nj3 1
158 1 . . . parsed_1nj3 1
159 1 . . . parsed_1nj3 1
160 1 . . . parsed_1nj3 1
161 1 . . . parsed_1nj3 1
162 1 . . . parsed_1nj3 1
163 1 . . . parsed_1nj3 1
164 1 . . . parsed_1nj3 1
165 1 . . . parsed_1nj3 1
166 1 . . . parsed_1nj3 1
167 1 . . . parsed_1nj3 1
168 1 . . . parsed_1nj3 1
169 1 . . . parsed_1nj3 1
170 1 . . . parsed_1nj3 1
171 1 . . . parsed_1nj3 1
172 1 . . . parsed_1nj3 1
173 1 . . . parsed_1nj3 1
174 1 . . . parsed_1nj3 1
175 1 . . . parsed_1nj3 1
176 1 . . . parsed_1nj3 1
177 1 . . . parsed_1nj3 1
178 1 . . . parsed_1nj3 1
179 1 . . . parsed_1nj3 1
180 1 . . . parsed_1nj3 1
181 1 . . . parsed_1nj3 1
182 1 . . . parsed_1nj3 1
183 1 . . . parsed_1nj3 1
184 1 . . . parsed_1nj3 1
185 1 . . . parsed_1nj3 1
186 1 . . . parsed_1nj3 1
187 1 . . . parsed_1nj3 1
188 1 . . . parsed_1nj3 1
189 1 . . . parsed_1nj3 1
190 1 . . . parsed_1nj3 1
191 1 . . . parsed_1nj3 1
192 1 . . . parsed_1nj3 1
193 1 . . . parsed_1nj3 1
194 1 . . . parsed_1nj3 1
195 1 . . . parsed_1nj3 1
196 1 . . . parsed_1nj3 1
197 1 . . . parsed_1nj3 1
198 1 . . . parsed_1nj3 1
199 1 . . . parsed_1nj3 1
200 1 . . . parsed_1nj3 1
201 1 . . . parsed_1nj3 1
202 1 . . . parsed_1nj3 1
203 1 . . . parsed_1nj3 1
204 1 . . . parsed_1nj3 1
205 1 . . . parsed_1nj3 1
206 1 . . . parsed_1nj3 1
207 1 . . . parsed_1nj3 1
208 1 . . . parsed_1nj3 1
209 1 . . . parsed_1nj3 1
210 1 . . . parsed_1nj3 1
211 1 . . . parsed_1nj3 1
212 1 . . . parsed_1nj3 1
213 1 . . . parsed_1nj3 1
214 1 . . . parsed_1nj3 1
215 1 . . . parsed_1nj3 1
216 1 . . . parsed_1nj3 1
217 1 . . . parsed_1nj3 1
218 1 . . . parsed_1nj3 1
219 1 . . . parsed_1nj3 1
220 1 . . . parsed_1nj3 1
221 1 . . . parsed_1nj3 1
222 1 . . . parsed_1nj3 1
223 1 . . . parsed_1nj3 1
224 1 . . . parsed_1nj3 1
225 1 . . . parsed_1nj3 1
226 1 . . . parsed_1nj3 1
227 1 . . . parsed_1nj3 1
228 1 . . . parsed_1nj3 1
229 1 . . . parsed_1nj3 1
230 1 . . . parsed_1nj3 1
231 1 . . . parsed_1nj3 1
232 1 . . . parsed_1nj3 1
233 1 . . . parsed_1nj3 1
234 1 . . . parsed_1nj3 1
235 1 . . . parsed_1nj3 1
236 1 . . . parsed_1nj3 1
237 1 . . . parsed_1nj3 1
238 1 . . . parsed_1nj3 1
239 1 . . . parsed_1nj3 1
240 1 . . . parsed_1nj3 1
241 1 . . . parsed_1nj3 1
242 1 . . . parsed_1nj3 1
243 1 . . . parsed_1nj3 1
244 1 . . . parsed_1nj3 1
245 1 . . . parsed_1nj3 1
246 1 . . . parsed_1nj3 1
247 1 . . . parsed_1nj3 1
248 1 . . . parsed_1nj3 1
249 1 . . . parsed_1nj3 1
250 1 . . . parsed_1nj3 1
251 1 . . . parsed_1nj3 1
252 1 . . . parsed_1nj3 1
253 1 . . . parsed_1nj3 1
254 1 . . . parsed_1nj3 1
255 1 . . . parsed_1nj3 1
256 1 . . . parsed_1nj3 1
257 1 . . . parsed_1nj3 1
258 1 . . . parsed_1nj3 1
259 1 . . . parsed_1nj3 1
260 1 . . . parsed_1nj3 1
261 1 . . . parsed_1nj3 1
262 1 . . . parsed_1nj3 1
263 1 . . . parsed_1nj3 1
264 1 . . . parsed_1nj3 1
265 1 . . . parsed_1nj3 1
266 1 . . . parsed_1nj3 1
267 1 . . . parsed_1nj3 1
268 1 . . . parsed_1nj3 1
269 1 . . . parsed_1nj3 1
270 1 . . . parsed_1nj3 1
271 1 . . . parsed_1nj3 1
272 1 . . . parsed_1nj3 1
273 1 . . . parsed_1nj3 1
274 1 . . . parsed_1nj3 1
275 1 . . . parsed_1nj3 1
276 1 . . . parsed_1nj3 1
277 1 . . . parsed_1nj3 1
278 1 . . . parsed_1nj3 1
279 1 . . . parsed_1nj3 1
280 1 . . . parsed_1nj3 1
281 1 . . . parsed_1nj3 1
282 1 . . . parsed_1nj3 1
283 1 . . . parsed_1nj3 1
284 1 . . . parsed_1nj3 1
285 1 . . . parsed_1nj3 1
286 1 . . . parsed_1nj3 1
287 1 . . . parsed_1nj3 1
288 1 . . . parsed_1nj3 1
289 1 . . . parsed_1nj3 1
290 1 . . . parsed_1nj3 1
291 1 . . . parsed_1nj3 1
292 1 . . . parsed_1nj3 1
293 1 . . . parsed_1nj3 1
294 1 . . . parsed_1nj3 1
295 1 . . . parsed_1nj3 1
296 1 . . . parsed_1nj3 1
297 1 . . . parsed_1nj3 1
298 1 . . . parsed_1nj3 1
299 1 . . . parsed_1nj3 1
300 1 . . . parsed_1nj3 1
301 1 . . . parsed_1nj3 1
302 1 . . . parsed_1nj3 1
303 1 . . . parsed_1nj3 1
304 1 . . . parsed_1nj3 1
305 1 . . . parsed_1nj3 1
306 1 . . . parsed_1nj3 1
307 1 . . . parsed_1nj3 1
308 1 . . . parsed_1nj3 1
309 1 . . . parsed_1nj3 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 . . . . . . . . . 3 . HG2# parsed_1nj3 1
1 1 2 . . . . . . . . . 17 . HA parsed_1nj3 1
2 1 1 . . . . . . . . . 5 . HN parsed_1nj3 1
2 1 2 . . . . . . . . . 18 . HD# parsed_1nj3 1
3 1 1 . . . . . . . . . 5 . HA parsed_1nj3 1
3 1 2 . . . . . . . . . 6 . HN parsed_1nj3 1
4 1 1 . . . . . . . . . 5 . HB# parsed_1nj3 1
4 1 2 . . . . . . . . . 7 . HN parsed_1nj3 1
5 1 1 . . . . . . . . . 6 . HN parsed_1nj3 1
5 1 2 . . . . . . . . . 6 . HB1 parsed_1nj3 1
6 1 1 . . . . . . . . . 6 . HN parsed_1nj3 1
6 1 2 . . . . . . . . . 6 . HB2 parsed_1nj3 1
7 1 1 . . . . . . . . . 6 . HN parsed_1nj3 1
7 1 2 . . . . . . . . . 6 . HG1 parsed_1nj3 1
8 1 1 . . . . . . . . . 6 . HN parsed_1nj3 1
8 1 2 . . . . . . . . . 6 . HG2 parsed_1nj3 1
9 1 1 . . . . . . . . . 6 . HN parsed_1nj3 1
9 1 2 . . . . . . . . . 6 . HG# parsed_1nj3 1
10 1 1 . . . . . . . . . 6 . HN parsed_1nj3 1
10 1 2 . . . . . . . . . 7 . HN parsed_1nj3 1
11 1 1 . . . . . . . . . 6 . HN parsed_1nj3 1
11 1 2 . . . . . . . . . 18 . HD1 parsed_1nj3 1
12 1 1 . . . . . . . . . 6 . HN parsed_1nj3 1
12 1 2 . . . . . . . . . 18 . HD2 parsed_1nj3 1
13 1 1 . . . . . . . . . 6 . HA parsed_1nj3 1
13 1 2 . . . . . . . . . 6 . HB2 parsed_1nj3 1
14 1 1 . . . . . . . . . 6 . HA parsed_1nj3 1
14 1 2 . . . . . . . . . 6 . HG# parsed_1nj3 1
15 1 1 . . . . . . . . . 6 . HA parsed_1nj3 1
15 1 2 . . . . . . . . . 7 . HN parsed_1nj3 1
16 1 1 . . . . . . . . . 6 . HA parsed_1nj3 1
16 1 2 . . . . . . . . . 18 . HD1 parsed_1nj3 1
17 1 1 . . . . . . . . . 6 . HA parsed_1nj3 1
17 1 2 . . . . . . . . . 18 . HD2 parsed_1nj3 1
18 1 1 . . . . . . . . . 6 . HA parsed_1nj3 1
18 1 2 . . . . . . . . . 18 . HD# parsed_1nj3 1
19 1 1 . . . . . . . . . 6 . HB1 parsed_1nj3 1
19 1 2 . . . . . . . . . 7 . HN parsed_1nj3 1
20 1 1 . . . . . . . . . 6 . HB1 parsed_1nj3 1
20 1 2 . . . . . . . . . 17 . HE21 parsed_1nj3 1
21 1 1 . . . . . . . . . 6 . HB1 parsed_1nj3 1
21 1 2 . . . . . . . . . 17 . HE22 parsed_1nj3 1
22 1 1 . . . . . . . . . 6 . HB2 parsed_1nj3 1
22 1 2 . . . . . . . . . 7 . HN parsed_1nj3 1
23 1 1 . . . . . . . . . 6 . HG1 parsed_1nj3 1
23 1 2 . . . . . . . . . 7 . HN parsed_1nj3 1
24 1 1 . . . . . . . . . 6 . HG1 parsed_1nj3 1
24 1 2 . . . . . . . . . 18 . HD1 parsed_1nj3 1
25 1 1 . . . . . . . . . 6 . HG1 parsed_1nj3 1
25 1 2 . . . . . . . . . 18 . HD2 parsed_1nj3 1
26 1 1 . . . . . . . . . 6 . HG2 parsed_1nj3 1
26 1 2 . . . . . . . . . 7 . HN parsed_1nj3 1
27 1 1 . . . . . . . . . 6 . HG2 parsed_1nj3 1
27 1 2 . . . . . . . . . 18 . HD1 parsed_1nj3 1
28 1 1 . . . . . . . . . 6 . HG2 parsed_1nj3 1
28 1 2 . . . . . . . . . 18 . HD2 parsed_1nj3 1
29 1 1 . . . . . . . . . 6 . HG# parsed_1nj3 1
29 1 2 . . . . . . . . . 7 . HE1 parsed_1nj3 1
30 1 1 . . . . . . . . . 6 . HG# parsed_1nj3 1
30 1 2 . . . . . . . . . 17 . HA parsed_1nj3 1
31 1 1 . . . . . . . . . 6 . HG# parsed_1nj3 1
31 1 2 . . . . . . . . . 18 . HD# parsed_1nj3 1
32 1 1 . . . . . . . . . 7 . HN parsed_1nj3 1
32 1 2 . . . . . . . . . 7 . HB2 parsed_1nj3 1
33 1 1 . . . . . . . . . 7 . HN parsed_1nj3 1
33 1 2 . . . . . . . . . 7 . HD1 parsed_1nj3 1
34 1 1 . . . . . . . . . 7 . HN parsed_1nj3 1
34 1 2 . . . . . . . . . 7 . HE1 parsed_1nj3 1
35 1 1 . . . . . . . . . 7 . HN parsed_1nj3 1
35 1 2 . . . . . . . . . 8 . HN parsed_1nj3 1
36 1 1 . . . . . . . . . 7 . HN parsed_1nj3 1
36 1 2 . . . . . . . . . 16 . HN parsed_1nj3 1
37 1 1 . . . . . . . . . 7 . HN parsed_1nj3 1
37 1 2 . . . . . . . . . 16 . HB1 parsed_1nj3 1
38 1 1 . . . . . . . . . 7 . HN parsed_1nj3 1
38 1 2 . . . . . . . . . 18 . HD# parsed_1nj3 1
39 1 1 . . . . . . . . . 7 . HA parsed_1nj3 1
39 1 2 . . . . . . . . . 7 . HB1 parsed_1nj3 1
40 1 1 . . . . . . . . . 7 . HA parsed_1nj3 1
40 1 2 . . . . . . . . . 7 . HB2 parsed_1nj3 1
41 1 1 . . . . . . . . . 7 . HA parsed_1nj3 1
41 1 2 . . . . . . . . . 8 . HN parsed_1nj3 1
42 1 1 . . . . . . . . . 7 . HB1 parsed_1nj3 1
42 1 2 . . . . . . . . . 8 . HN parsed_1nj3 1
43 1 1 . . . . . . . . . 7 . HB2 parsed_1nj3 1
43 1 2 . . . . . . . . . 8 . HN parsed_1nj3 1
44 1 1 . . . . . . . . . 7 . HD1 parsed_1nj3 1
44 1 2 . . . . . . . . . 18 . HA parsed_1nj3 1
45 1 1 . . . . . . . . . 7 . HE3 parsed_1nj3 1
45 1 2 . . . . . . . . . 8 . HA parsed_1nj3 1
46 1 1 . . . . . . . . . 7 . HE3 parsed_1nj3 1
46 1 2 . . . . . . . . . 9 . HB2 parsed_1nj3 1
47 1 1 . . . . . . . . . 7 . HE3 parsed_1nj3 1
47 1 2 . . . . . . . . . 30 . HA parsed_1nj3 1
48 1 1 . . . . . . . . . 7 . HE1 parsed_1nj3 1
48 1 2 . . . . . . . . . 16 . HB1 parsed_1nj3 1
49 1 1 . . . . . . . . . 7 . HE1 parsed_1nj3 1
49 1 2 . . . . . . . . . 16 . HB2 parsed_1nj3 1
50 1 1 . . . . . . . . . 7 . HE1 parsed_1nj3 1
50 1 2 . . . . . . . . . 17 . HN parsed_1nj3 1
51 1 1 . . . . . . . . . 7 . HE1 parsed_1nj3 1
51 1 2 . . . . . . . . . 18 . HA parsed_1nj3 1
52 1 1 . . . . . . . . . 7 . HE1 parsed_1nj3 1
52 1 2 . . . . . . . . . 18 . HD# parsed_1nj3 1
53 1 1 . . . . . . . . . 7 . HE1 parsed_1nj3 1
53 1 2 . . . . . . . . . 20 . HN parsed_1nj3 1
54 1 1 . . . . . . . . . 7 . HE1 parsed_1nj3 1
54 1 2 . . . . . . . . . 20 . HG2# parsed_1nj3 1
55 1 1 . . . . . . . . . 7 . HE1 parsed_1nj3 1
55 1 2 . . . . . . . . . 30 . HB1 parsed_1nj3 1
56 1 1 . . . . . . . . . 7 . HE1 parsed_1nj3 1
56 1 2 . . . . . . . . . 30 . HB2 parsed_1nj3 1
57 1 1 . . . . . . . . . 7 . HE1 parsed_1nj3 1
57 1 2 . . . . . . . . . 30 . HD1 parsed_1nj3 1
58 1 1 . . . . . . . . . 7 . HE1 parsed_1nj3 1
58 1 2 . . . . . . . . . 30 . HD2 parsed_1nj3 1
59 1 1 . . . . . . . . . 7 . HE1 parsed_1nj3 1
59 1 2 . . . . . . . . . 30 . HD# parsed_1nj3 1
60 1 1 . . . . . . . . . 7 . HZ3 parsed_1nj3 1
60 1 2 . . . . . . . . . 16 . HB2 parsed_1nj3 1
61 1 1 . . . . . . . . . 7 . HZ2 parsed_1nj3 1
61 1 2 . . . . . . . . . 16 . HB2 parsed_1nj3 1
62 1 1 . . . . . . . . . 7 . HZ2 parsed_1nj3 1
62 1 2 . . . . . . . . . 20 . HG2# parsed_1nj3 1
63 1 1 . . . . . . . . . 7 . HH2 parsed_1nj3 1
63 1 2 . . . . . . . . . 22 . HN parsed_1nj3 1
64 1 1 . . . . . . . . . 7 . HH2 parsed_1nj3 1
64 1 2 . . . . . . . . . 22 . HA parsed_1nj3 1
65 1 1 . . . . . . . . . 7 . HH2 parsed_1nj3 1
65 1 2 . . . . . . . . . 23 . HN parsed_1nj3 1
66 1 1 . . . . . . . . . 7 . HH2 parsed_1nj3 1
66 1 2 . . . . . . . . . 23 . HA parsed_1nj3 1
67 1 1 . . . . . . . . . 7 . HH2 parsed_1nj3 1
67 1 2 . . . . . . . . . 23 . HB1 parsed_1nj3 1
68 1 1 . . . . . . . . . 7 . HH2 parsed_1nj3 1
68 1 2 . . . . . . . . . 23 . HB2 parsed_1nj3 1
69 1 1 . . . . . . . . . 7 . HH2 parsed_1nj3 1
69 1 2 . . . . . . . . . 28 . HD## parsed_1nj3 1
70 1 1 . . . . . . . . . 7 . HH2 parsed_1nj3 1
70 1 2 . . . . . . . . . 30 . HA parsed_1nj3 1
71 1 1 . . . . . . . . . 8 . HA parsed_1nj3 1
71 1 2 . . . . . . . . . 9 . HN parsed_1nj3 1
72 1 1 . . . . . . . . . 8 . HA parsed_1nj3 1
72 1 2 . . . . . . . . . 15 . HA parsed_1nj3 1
73 1 1 . . . . . . . . . 9 . HN parsed_1nj3 1
73 1 2 . . . . . . . . . 9 . HA parsed_1nj3 1
74 1 1 . . . . . . . . . 9 . HN parsed_1nj3 1
74 1 2 . . . . . . . . . 9 . HB1 parsed_1nj3 1
75 1 1 . . . . . . . . . 9 . HN parsed_1nj3 1
75 1 2 . . . . . . . . . 9 . HB2 parsed_1nj3 1
76 1 1 . . . . . . . . . 9 . HN parsed_1nj3 1
76 1 2 . . . . . . . . . 10 . HN parsed_1nj3 1
77 1 1 . . . . . . . . . 9 . HN parsed_1nj3 1
77 1 2 . . . . . . . . . 10 . HA parsed_1nj3 1
78 1 1 . . . . . . . . . 9 . HN parsed_1nj3 1
78 1 2 . . . . . . . . . 13 . HN parsed_1nj3 1
79 1 1 . . . . . . . . . 9 . HN parsed_1nj3 1
79 1 2 . . . . . . . . . 13 . HA parsed_1nj3 1
80 1 1 . . . . . . . . . 9 . HN parsed_1nj3 1
80 1 2 . . . . . . . . . 14 . HB2 parsed_1nj3 1
81 1 1 . . . . . . . . . 9 . HN parsed_1nj3 1
81 1 2 . . . . . . . . . 15 . HN parsed_1nj3 1
82 1 1 . . . . . . . . . 9 . HN parsed_1nj3 1
82 1 2 . . . . . . . . . 16 . HB1 parsed_1nj3 1
83 1 1 . . . . . . . . . 9 . HN parsed_1nj3 1
83 1 2 . . . . . . . . . 16 . HD2# parsed_1nj3 1
84 1 1 . . . . . . . . . 9 . HA parsed_1nj3 1
84 1 2 . . . . . . . . . 9 . HB2 parsed_1nj3 1
85 1 1 . . . . . . . . . 9 . HA parsed_1nj3 1
85 1 2 . . . . . . . . . 10 . HN parsed_1nj3 1
86 1 1 . . . . . . . . . 9 . HB1 parsed_1nj3 1
86 1 2 . . . . . . . . . 10 . HE2# parsed_1nj3 1
87 1 1 . . . . . . . . . 9 . HB1 parsed_1nj3 1
87 1 2 . . . . . . . . . 13 . HN parsed_1nj3 1
88 1 1 . . . . . . . . . 9 . HB2 parsed_1nj3 1
88 1 2 . . . . . . . . . 10 . HN parsed_1nj3 1
89 1 1 . . . . . . . . . 9 . HB2 parsed_1nj3 1
89 1 2 . . . . . . . . . 11 . HN parsed_1nj3 1
90 1 1 . . . . . . . . . 9 . HB2 parsed_1nj3 1
90 1 2 . . . . . . . . . 12 . HN parsed_1nj3 1
91 1 1 . . . . . . . . . 9 . HB2 parsed_1nj3 1
91 1 2 . . . . . . . . . 13 . HN parsed_1nj3 1
92 1 1 . . . . . . . . . 9 . HB2 parsed_1nj3 1
92 1 2 . . . . . . . . . 14 . HN parsed_1nj3 1
93 1 1 . . . . . . . . . 9 . HB2 parsed_1nj3 1
93 1 2 . . . . . . . . . 16 . HD2# parsed_1nj3 1
94 1 1 . . . . . . . . . 10 . HN parsed_1nj3 1
94 1 2 . . . . . . . . . 10 . HB# parsed_1nj3 1
95 1 1 . . . . . . . . . 10 . HN parsed_1nj3 1
95 1 2 . . . . . . . . . 10 . HG# parsed_1nj3 1
96 1 1 . . . . . . . . . 10 . HN parsed_1nj3 1
96 1 2 . . . . . . . . . 10 . HE2# parsed_1nj3 1
97 1 1 . . . . . . . . . 10 . HN parsed_1nj3 1
97 1 2 . . . . . . . . . 11 . HN parsed_1nj3 1
98 1 1 . . . . . . . . . 10 . HN parsed_1nj3 1
98 1 2 . . . . . . . . . 12 . HN parsed_1nj3 1
99 1 1 . . . . . . . . . 10 . HA parsed_1nj3 1
99 1 2 . . . . . . . . . 11 . HA parsed_1nj3 1
100 1 1 . . . . . . . . . 10 . HA parsed_1nj3 1
100 1 2 . . . . . . . . . 12 . HN parsed_1nj3 1
101 1 1 . . . . . . . . . 10 . HA parsed_1nj3 1
101 1 2 . . . . . . . . . 13 . HN parsed_1nj3 1
102 1 1 . . . . . . . . . 10 . HG1 parsed_1nj3 1
102 1 2 . . . . . . . . . 11 . HN parsed_1nj3 1
103 1 1 . . . . . . . . . 10 . HG2 parsed_1nj3 1
103 1 2 . . . . . . . . . 11 . HN parsed_1nj3 1
104 1 1 . . . . . . . . . 10 . HE2# parsed_1nj3 1
104 1 2 . . . . . . . . . 12 . HN parsed_1nj3 1
105 1 1 . . . . . . . . . 11 . HN parsed_1nj3 1
105 1 2 . . . . . . . . . 12 . HN parsed_1nj3 1
106 1 1 . . . . . . . . . 11 . HN parsed_1nj3 1
106 1 2 . . . . . . . . . 12 . HA parsed_1nj3 1
107 1 1 . . . . . . . . . 11 . HN parsed_1nj3 1
107 1 2 . . . . . . . . . 12 . HB2 parsed_1nj3 1
108 1 1 . . . . . . . . . 11 . HN parsed_1nj3 1
108 1 2 . . . . . . . . . 13 . HN parsed_1nj3 1
109 1 1 . . . . . . . . . 11 . HN parsed_1nj3 1
109 1 2 . . . . . . . . . 13 . HA parsed_1nj3 1
110 1 1 . . . . . . . . . 11 . HN parsed_1nj3 1
110 1 2 . . . . . . . . . 13 . HG2# parsed_1nj3 1
111 1 1 . . . . . . . . . 11 . HN parsed_1nj3 1
111 1 2 . . . . . . . . . 14 . HN parsed_1nj3 1
112 1 1 . . . . . . . . . 11 . HB# parsed_1nj3 1
112 1 2 . . . . . . . . . 12 . HN parsed_1nj3 1
113 1 1 . . . . . . . . . 12 . HN parsed_1nj3 1
113 1 2 . . . . . . . . . 12 . HB1 parsed_1nj3 1
114 1 1 . . . . . . . . . 12 . HN parsed_1nj3 1
114 1 2 . . . . . . . . . 12 . HB2 parsed_1nj3 1
115 1 1 . . . . . . . . . 12 . HN parsed_1nj3 1
115 1 2 . . . . . . . . . 13 . HN parsed_1nj3 1
116 1 1 . . . . . . . . . 12 . HN parsed_1nj3 1
116 1 2 . . . . . . . . . 13 . HA parsed_1nj3 1
117 1 1 . . . . . . . . . 12 . HN parsed_1nj3 1
117 1 2 . . . . . . . . . 13 . HG2# parsed_1nj3 1
118 1 1 . . . . . . . . . 12 . HN parsed_1nj3 1
118 1 2 . . . . . . . . . 14 . HN parsed_1nj3 1
119 1 1 . . . . . . . . . 12 . HA parsed_1nj3 1
119 1 2 . . . . . . . . . 12 . HB1 parsed_1nj3 1
120 1 1 . . . . . . . . . 12 . HA parsed_1nj3 1
120 1 2 . . . . . . . . . 12 . HB2 parsed_1nj3 1
121 1 1 . . . . . . . . . 12 . HA parsed_1nj3 1
121 1 2 . . . . . . . . . 13 . HG2# parsed_1nj3 1
122 1 1 . . . . . . . . . 12 . HA parsed_1nj3 1
122 1 2 . . . . . . . . . 14 . HN parsed_1nj3 1
123 1 1 . . . . . . . . . 12 . HB1 parsed_1nj3 1
123 1 2 . . . . . . . . . 13 . HN parsed_1nj3 1
124 1 1 . . . . . . . . . 12 . HB2 parsed_1nj3 1
124 1 2 . . . . . . . . . 13 . HN parsed_1nj3 1
125 1 1 . . . . . . . . . 13 . HN parsed_1nj3 1
125 1 2 . . . . . . . . . 13 . HA parsed_1nj3 1
126 1 1 . . . . . . . . . 13 . HN parsed_1nj3 1
126 1 2 . . . . . . . . . 13 . HB parsed_1nj3 1
127 1 1 . . . . . . . . . 13 . HN parsed_1nj3 1
127 1 2 . . . . . . . . . 14 . HN parsed_1nj3 1
128 1 1 . . . . . . . . . 13 . HN parsed_1nj3 1
128 1 2 . . . . . . . . . 26 . HN parsed_1nj3 1
129 1 1 . . . . . . . . . 13 . HA parsed_1nj3 1
129 1 2 . . . . . . . . . 13 . HB parsed_1nj3 1
130 1 1 . . . . . . . . . 13 . HG2# parsed_1nj3 1
130 1 2 . . . . . . . . . 14 . HN parsed_1nj3 1
131 1 1 . . . . . . . . . 14 . HN parsed_1nj3 1
131 1 2 . . . . . . . . . 14 . HB1 parsed_1nj3 1
132 1 1 . . . . . . . . . 14 . HN parsed_1nj3 1
132 1 2 . . . . . . . . . 14 . HB2 parsed_1nj3 1
133 1 1 . . . . . . . . . 14 . HN parsed_1nj3 1
133 1 2 . . . . . . . . . 15 . HN parsed_1nj3 1
134 1 1 . . . . . . . . . 14 . HN parsed_1nj3 1
134 1 2 . . . . . . . . . 15 . HA parsed_1nj3 1
135 1 1 . . . . . . . . . 14 . HA parsed_1nj3 1
135 1 2 . . . . . . . . . 14 . HB1 parsed_1nj3 1
136 1 1 . . . . . . . . . 14 . HA parsed_1nj3 1
136 1 2 . . . . . . . . . 15 . HN parsed_1nj3 1
137 1 1 . . . . . . . . . 14 . HA parsed_1nj3 1
137 1 2 . . . . . . . . . 15 . HB2 parsed_1nj3 1
138 1 1 . . . . . . . . . 14 . HB1 parsed_1nj3 1
138 1 2 . . . . . . . . . 15 . HN parsed_1nj3 1
139 1 1 . . . . . . . . . 14 . HB2 parsed_1nj3 1
139 1 2 . . . . . . . . . 15 . HN parsed_1nj3 1
140 1 1 . . . . . . . . . 14 . HB2 parsed_1nj3 1
140 1 2 . . . . . . . . . 16 . HD2# parsed_1nj3 1
141 1 1 . . . . . . . . . 14 . HD# parsed_1nj3 1
141 1 2 . . . . . . . . . 16 . HA parsed_1nj3 1
142 1 1 . . . . . . . . . 14 . HD# parsed_1nj3 1
142 1 2 . . . . . . . . . 16 . HD2# parsed_1nj3 1
143 1 1 . . . . . . . . . 14 . HD# parsed_1nj3 1
143 1 2 . . . . . . . . . 24 . HN parsed_1nj3 1
144 1 1 . . . . . . . . . 14 . HD# parsed_1nj3 1
144 1 2 . . . . . . . . . 24 . HB1 parsed_1nj3 1
145 1 1 . . . . . . . . . 14 . HD# parsed_1nj3 1
145 1 2 . . . . . . . . . 24 . HB2 parsed_1nj3 1
146 1 1 . . . . . . . . . 14 . HD# parsed_1nj3 1
146 1 2 . . . . . . . . . 25 . HN parsed_1nj3 1
147 1 1 . . . . . . . . . 14 . HE# parsed_1nj3 1
147 1 2 . . . . . . . . . 16 . HA parsed_1nj3 1
148 1 1 . . . . . . . . . 14 . HE# parsed_1nj3 1
148 1 2 . . . . . . . . . 17 . HN parsed_1nj3 1
149 1 1 . . . . . . . . . 14 . HE# parsed_1nj3 1
149 1 2 . . . . . . . . . 24 . HN parsed_1nj3 1
150 1 1 . . . . . . . . . 14 . HE# parsed_1nj3 1
150 1 2 . . . . . . . . . 24 . HB1 parsed_1nj3 1
151 1 1 . . . . . . . . . 14 . HE# parsed_1nj3 1
151 1 2 . . . . . . . . . 24 . HB2 parsed_1nj3 1
152 1 1 . . . . . . . . . 14 . HE# parsed_1nj3 1
152 1 2 . . . . . . . . . 25 . HN parsed_1nj3 1
153 1 1 . . . . . . . . . 15 . HN parsed_1nj3 1
153 1 2 . . . . . . . . . 15 . HB1 parsed_1nj3 1
154 1 1 . . . . . . . . . 15 . HN parsed_1nj3 1
154 1 2 . . . . . . . . . 15 . HB2 parsed_1nj3 1
155 1 1 . . . . . . . . . 15 . HN parsed_1nj3 1
155 1 2 . . . . . . . . . 15 . HG# parsed_1nj3 1
156 1 1 . . . . . . . . . 15 . HN parsed_1nj3 1
156 1 2 . . . . . . . . . 16 . HN parsed_1nj3 1
157 1 1 . . . . . . . . . 15 . HA parsed_1nj3 1
157 1 2 . . . . . . . . . 16 . HN parsed_1nj3 1
158 1 1 . . . . . . . . . 15 . HA parsed_1nj3 1
158 1 2 . . . . . . . . . 16 . HB1 parsed_1nj3 1
159 1 1 . . . . . . . . . 15 . HB1 parsed_1nj3 1
159 1 2 . . . . . . . . . 16 . HN parsed_1nj3 1
160 1 1 . . . . . . . . . 15 . HB2 parsed_1nj3 1
160 1 2 . . . . . . . . . 16 . HN parsed_1nj3 1
161 1 1 . . . . . . . . . 15 . HG# parsed_1nj3 1
161 1 2 . . . . . . . . . 16 . HN parsed_1nj3 1
162 1 1 . . . . . . . . . 16 . HN parsed_1nj3 1
162 1 2 . . . . . . . . . 16 . HA parsed_1nj3 1
163 1 1 . . . . . . . . . 16 . HN parsed_1nj3 1
163 1 2 . . . . . . . . . 16 . HB1 parsed_1nj3 1
164 1 1 . . . . . . . . . 16 . HN parsed_1nj3 1
164 1 2 . . . . . . . . . 16 . HB2 parsed_1nj3 1
165 1 1 . . . . . . . . . 16 . HN parsed_1nj3 1
165 1 2 . . . . . . . . . 16 . HD2# parsed_1nj3 1
166 1 1 . . . . . . . . . 16 . HN parsed_1nj3 1
166 1 2 . . . . . . . . . 17 . HA parsed_1nj3 1
167 1 1 . . . . . . . . . 16 . HA parsed_1nj3 1
167 1 2 . . . . . . . . . 17 . HN parsed_1nj3 1
168 1 1 . . . . . . . . . 16 . HB1 parsed_1nj3 1
168 1 2 . . . . . . . . . 17 . HN parsed_1nj3 1
169 1 1 . . . . . . . . . 16 . HD2# parsed_1nj3 1
169 1 2 . . . . . . . . . 23 . HA parsed_1nj3 1
170 1 1 . . . . . . . . . 16 . HD2# parsed_1nj3 1
170 1 2 . . . . . . . . . 23 . HB1 parsed_1nj3 1
171 1 1 . . . . . . . . . 16 . HD2# parsed_1nj3 1
171 1 2 . . . . . . . . . 23 . HB2 parsed_1nj3 1
172 1 1 . . . . . . . . . 16 . HD2# parsed_1nj3 1
172 1 2 . . . . . . . . . 24 . HN parsed_1nj3 1
173 1 1 . . . . . . . . . 17 . HN parsed_1nj3 1
173 1 2 . . . . . . . . . 17 . HB1 parsed_1nj3 1
174 1 1 . . . . . . . . . 17 . HN parsed_1nj3 1
174 1 2 . . . . . . . . . 17 . HB2 parsed_1nj3 1
175 1 1 . . . . . . . . . 17 . HN parsed_1nj3 1
175 1 2 . . . . . . . . . 17 . HG1 parsed_1nj3 1
176 1 1 . . . . . . . . . 17 . HN parsed_1nj3 1
176 1 2 . . . . . . . . . 17 . HG2 parsed_1nj3 1
177 1 1 . . . . . . . . . 17 . HN parsed_1nj3 1
177 1 2 . . . . . . . . . 17 . HG# parsed_1nj3 1
178 1 1 . . . . . . . . . 17 . HN parsed_1nj3 1
178 1 2 . . . . . . . . . 17 . HE2# parsed_1nj3 1
179 1 1 . . . . . . . . . 17 . HN parsed_1nj3 1
179 1 2 . . . . . . . . . 18 . HD1 parsed_1nj3 1
180 1 1 . . . . . . . . . 17 . HN parsed_1nj3 1
180 1 2 . . . . . . . . . 18 . HD2 parsed_1nj3 1
181 1 1 . . . . . . . . . 17 . HN parsed_1nj3 1
181 1 2 . . . . . . . . . 20 . HG2# parsed_1nj3 1
182 1 1 . . . . . . . . . 17 . HA parsed_1nj3 1
182 1 2 . . . . . . . . . 17 . HB2 parsed_1nj3 1
183 1 1 . . . . . . . . . 17 . HA parsed_1nj3 1
183 1 2 . . . . . . . . . 17 . HE21 parsed_1nj3 1
184 1 1 . . . . . . . . . 17 . HA parsed_1nj3 1
184 1 2 . . . . . . . . . 17 . HE22 parsed_1nj3 1
185 1 1 . . . . . . . . . 17 . HA parsed_1nj3 1
185 1 2 . . . . . . . . . 18 . HD# parsed_1nj3 1
186 1 1 . . . . . . . . . 17 . HB1 parsed_1nj3 1
186 1 2 . . . . . . . . . 18 . HD# parsed_1nj3 1
187 1 1 . . . . . . . . . 17 . HB1 parsed_1nj3 1
187 1 2 . . . . . . . . . 20 . HN parsed_1nj3 1
188 1 1 . . . . . . . . . 17 . HB2 parsed_1nj3 1
188 1 2 . . . . . . . . . 17 . HG# parsed_1nj3 1
189 1 1 . . . . . . . . . 17 . HB2 parsed_1nj3 1
189 1 2 . . . . . . . . . 17 . HE21 parsed_1nj3 1
190 1 1 . . . . . . . . . 17 . HB2 parsed_1nj3 1
190 1 2 . . . . . . . . . 17 . HE22 parsed_1nj3 1
191 1 1 . . . . . . . . . 17 . HB2 parsed_1nj3 1
191 1 2 . . . . . . . . . 18 . HD# parsed_1nj3 1
192 1 1 . . . . . . . . . 17 . HB2 parsed_1nj3 1
192 1 2 . . . . . . . . . 20 . HN parsed_1nj3 1
193 1 1 . . . . . . . . . 17 . HG# parsed_1nj3 1
193 1 2 . . . . . . . . . 20 . HN parsed_1nj3 1
194 1 1 . . . . . . . . . 19 . HN parsed_1nj3 1
194 1 2 . . . . . . . . . 20 . HN parsed_1nj3 1
195 1 1 . . . . . . . . . 19 . HN parsed_1nj3 1
195 1 2 . . . . . . . . . 20 . HB parsed_1nj3 1
196 1 1 . . . . . . . . . 19 . HA1 parsed_1nj3 1
196 1 2 . . . . . . . . . 20 . HN parsed_1nj3 1
197 1 1 . . . . . . . . . 19 . HA2 parsed_1nj3 1
197 1 2 . . . . . . . . . 20 . HN parsed_1nj3 1
198 1 1 . . . . . . . . . 20 . HN parsed_1nj3 1
198 1 2 . . . . . . . . . 20 . HB parsed_1nj3 1
199 1 1 . . . . . . . . . 20 . HN parsed_1nj3 1
199 1 2 . . . . . . . . . 20 . HG2# parsed_1nj3 1
200 1 1 . . . . . . . . . 20 . HA parsed_1nj3 1
200 1 2 . . . . . . . . . 20 . HB parsed_1nj3 1
201 1 1 . . . . . . . . . 20 . HA parsed_1nj3 1
201 1 2 . . . . . . . . . 22 . HN parsed_1nj3 1
202 1 1 . . . . . . . . . 20 . HA parsed_1nj3 1
202 1 2 . . . . . . . . . 23 . HN parsed_1nj3 1
203 1 1 . . . . . . . . . 20 . HB parsed_1nj3 1
203 1 2 . . . . . . . . . 22 . HN parsed_1nj3 1
204 1 1 . . . . . . . . . 20 . HB parsed_1nj3 1
204 1 2 . . . . . . . . . 23 . HN parsed_1nj3 1
205 1 1 . . . . . . . . . 20 . HG2# parsed_1nj3 1
205 1 2 . . . . . . . . . 22 . HN parsed_1nj3 1
206 1 1 . . . . . . . . . 20 . HG2# parsed_1nj3 1
206 1 2 . . . . . . . . . 24 . HN parsed_1nj3 1
207 1 1 . . . . . . . . . 21 . HA1 parsed_1nj3 1
207 1 2 . . . . . . . . . 30 . HB1 parsed_1nj3 1
208 1 1 . . . . . . . . . 21 . HA1 parsed_1nj3 1
208 1 2 . . . . . . . . . 30 . HB2 parsed_1nj3 1
209 1 1 . . . . . . . . . 21 . HA1 parsed_1nj3 1
209 1 2 . . . . . . . . . 30 . HD# parsed_1nj3 1
210 1 1 . . . . . . . . . 21 . HA1 parsed_1nj3 1
210 1 2 . . . . . . . . . 7 . HZ2 parsed_1nj3 1
211 1 1 . . . . . . . . . 22 . HN parsed_1nj3 1
211 1 2 . . . . . . . . . 22 . HB2 parsed_1nj3 1
212 1 1 . . . . . . . . . 22 . HN parsed_1nj3 1
212 1 2 . . . . . . . . . 22 . HD2 parsed_1nj3 1
213 1 1 . . . . . . . . . 22 . HN parsed_1nj3 1
213 1 2 . . . . . . . . . 23 . HN parsed_1nj3 1
214 1 1 . . . . . . . . . 22 . HA parsed_1nj3 1
214 1 2 . . . . . . . . . 22 . HB1 parsed_1nj3 1
215 1 1 . . . . . . . . . 22 . HA parsed_1nj3 1
215 1 2 . . . . . . . . . 23 . HN parsed_1nj3 1
216 1 1 . . . . . . . . . 22 . HA parsed_1nj3 1
216 1 2 . . . . . . . . . 28 . HN parsed_1nj3 1
217 1 1 . . . . . . . . . 22 . HA parsed_1nj3 1
217 1 2 . . . . . . . . . 29 . HA parsed_1nj3 1
218 1 1 . . . . . . . . . 22 . HA parsed_1nj3 1
218 1 2 . . . . . . . . . 30 . HN parsed_1nj3 1
219 1 1 . . . . . . . . . 22 . HB1 parsed_1nj3 1
219 1 2 . . . . . . . . . 23 . HN parsed_1nj3 1
220 1 1 . . . . . . . . . 22 . HB1 parsed_1nj3 1
220 1 2 . . . . . . . . . 29 . HA parsed_1nj3 1
221 1 1 . . . . . . . . . 22 . HB1 parsed_1nj3 1
221 1 2 . . . . . . . . . 30 . HN parsed_1nj3 1
222 1 1 . . . . . . . . . 22 . HB2 parsed_1nj3 1
222 1 2 . . . . . . . . . 23 . HN parsed_1nj3 1
223 1 1 . . . . . . . . . 22 . HB2 parsed_1nj3 1
223 1 2 . . . . . . . . . 29 . HA parsed_1nj3 1
224 1 1 . . . . . . . . . 22 . HD2 parsed_1nj3 1
224 1 2 . . . . . . . . . 27 . HA parsed_1nj3 1
225 1 1 . . . . . . . . . 22 . HD2 parsed_1nj3 1
225 1 2 . . . . . . . . . 29 . HA parsed_1nj3 1
226 1 1 . . . . . . . . . 22 . HD2 parsed_1nj3 1
226 1 2 . . . . . . . . . 29 . HD# parsed_1nj3 1
227 1 1 . . . . . . . . . 23 . HN parsed_1nj3 1
227 1 2 . . . . . . . . . 23 . HB1 parsed_1nj3 1
228 1 1 . . . . . . . . . 23 . HN parsed_1nj3 1
228 1 2 . . . . . . . . . 23 . HB2 parsed_1nj3 1
229 1 1 . . . . . . . . . 23 . HN parsed_1nj3 1
229 1 2 . . . . . . . . . 24 . HN parsed_1nj3 1
230 1 1 . . . . . . . . . 23 . HN parsed_1nj3 1
230 1 2 . . . . . . . . . 27 . HN parsed_1nj3 1
231 1 1 . . . . . . . . . 23 . HN parsed_1nj3 1
231 1 2 . . . . . . . . . 28 . HN parsed_1nj3 1
232 1 1 . . . . . . . . . 23 . HA parsed_1nj3 1
232 1 2 . . . . . . . . . 24 . HN parsed_1nj3 1
233 1 1 . . . . . . . . . 23 . HA parsed_1nj3 1
233 1 2 . . . . . . . . . 24 . HA parsed_1nj3 1
234 1 1 . . . . . . . . . 23 . HA parsed_1nj3 1
234 1 2 . . . . . . . . . 25 . HN parsed_1nj3 1
235 1 1 . . . . . . . . . 23 . HB1 parsed_1nj3 1
235 1 2 . . . . . . . . . 24 . HN parsed_1nj3 1
236 1 1 . . . . . . . . . 23 . HB1 parsed_1nj3 1
236 1 2 . . . . . . . . . 26 . HN parsed_1nj3 1
237 1 1 . . . . . . . . . 23 . HB1 parsed_1nj3 1
237 1 2 . . . . . . . . . 27 . HN parsed_1nj3 1
238 1 1 . . . . . . . . . 23 . HB1 parsed_1nj3 1
238 1 2 . . . . . . . . . 28 . HN parsed_1nj3 1
239 1 1 . . . . . . . . . 23 . HB2 parsed_1nj3 1
239 1 2 . . . . . . . . . 24 . HN parsed_1nj3 1
240 1 1 . . . . . . . . . 23 . HB2 parsed_1nj3 1
240 1 2 . . . . . . . . . 25 . HN parsed_1nj3 1
241 1 1 . . . . . . . . . 23 . HB2 parsed_1nj3 1
241 1 2 . . . . . . . . . 26 . HN parsed_1nj3 1
242 1 1 . . . . . . . . . 23 . HB2 parsed_1nj3 1
242 1 2 . . . . . . . . . 27 . HN parsed_1nj3 1
243 1 1 . . . . . . . . . 23 . HB2 parsed_1nj3 1
243 1 2 . . . . . . . . . 28 . HN parsed_1nj3 1
244 1 1 . . . . . . . . . 24 . HN parsed_1nj3 1
244 1 2 . . . . . . . . . 24 . HB1 parsed_1nj3 1
245 1 1 . . . . . . . . . 24 . HN parsed_1nj3 1
245 1 2 . . . . . . . . . 24 . HB2 parsed_1nj3 1
246 1 1 . . . . . . . . . 24 . HN parsed_1nj3 1
246 1 2 . . . . . . . . . 24 . HG1 parsed_1nj3 1
247 1 1 . . . . . . . . . 24 . HN parsed_1nj3 1
247 1 2 . . . . . . . . . 24 . HG2 parsed_1nj3 1
248 1 1 . . . . . . . . . 24 . HN parsed_1nj3 1
248 1 2 . . . . . . . . . 24 . HG# parsed_1nj3 1
249 1 1 . . . . . . . . . 24 . HN parsed_1nj3 1
249 1 2 . . . . . . . . . 25 . HN parsed_1nj3 1
250 1 1 . . . . . . . . . 24 . HN parsed_1nj3 1
250 1 2 . . . . . . . . . 25 . HB# parsed_1nj3 1
251 1 1 . . . . . . . . . 24 . HN parsed_1nj3 1
251 1 2 . . . . . . . . . 26 . HN parsed_1nj3 1
252 1 1 . . . . . . . . . 24 . HA parsed_1nj3 1
252 1 2 . . . . . . . . . 24 . HB2 parsed_1nj3 1
253 1 1 . . . . . . . . . 24 . HB1 parsed_1nj3 1
253 1 2 . . . . . . . . . 25 . HN parsed_1nj3 1
254 1 1 . . . . . . . . . 24 . HB2 parsed_1nj3 1
254 1 2 . . . . . . . . . 25 . HN parsed_1nj3 1
255 1 1 . . . . . . . . . 24 . HG# parsed_1nj3 1
255 1 2 . . . . . . . . . 25 . HN parsed_1nj3 1
256 1 1 . . . . . . . . . 25 . HN parsed_1nj3 1
256 1 2 . . . . . . . . . 25 . HB# parsed_1nj3 1
257 1 1 . . . . . . . . . 25 . HN parsed_1nj3 1
257 1 2 . . . . . . . . . 25 . HG1 parsed_1nj3 1
258 1 1 . . . . . . . . . 25 . HN parsed_1nj3 1
258 1 2 . . . . . . . . . 25 . HG2 parsed_1nj3 1
259 1 1 . . . . . . . . . 25 . HN parsed_1nj3 1
259 1 2 . . . . . . . . . 25 . HG# parsed_1nj3 1
260 1 1 . . . . . . . . . 25 . HN parsed_1nj3 1
260 1 2 . . . . . . . . . 26 . HN parsed_1nj3 1
261 1 1 . . . . . . . . . 25 . HN parsed_1nj3 1
261 1 2 . . . . . . . . . 26 . HB2 parsed_1nj3 1
262 1 1 . . . . . . . . . 25 . HN parsed_1nj3 1
262 1 2 . . . . . . . . . 27 . HN parsed_1nj3 1
263 1 1 . . . . . . . . . 25 . HB# parsed_1nj3 1
263 1 2 . . . . . . . . . 26 . HN parsed_1nj3 1
264 1 1 . . . . . . . . . 25 . HG# parsed_1nj3 1
264 1 2 . . . . . . . . . 26 . HN parsed_1nj3 1
265 1 1 . . . . . . . . . 26 . HN parsed_1nj3 1
265 1 2 . . . . . . . . . 26 . HB2 parsed_1nj3 1
266 1 1 . . . . . . . . . 26 . HN parsed_1nj3 1
266 1 2 . . . . . . . . . 27 . HN parsed_1nj3 1
267 1 1 . . . . . . . . . 26 . HN parsed_1nj3 1
267 1 2 . . . . . . . . . 28 . HN parsed_1nj3 1
268 1 1 . . . . . . . . . 26 . HA parsed_1nj3 1
268 1 2 . . . . . . . . . 26 . HB1 parsed_1nj3 1
269 1 1 . . . . . . . . . 26 . HA parsed_1nj3 1
269 1 2 . . . . . . . . . 26 . HB2 parsed_1nj3 1
270 1 1 . . . . . . . . . 26 . HB2 parsed_1nj3 1
270 1 2 . . . . . . . . . 27 . HN parsed_1nj3 1
271 1 1 . . . . . . . . . 27 . HN parsed_1nj3 1
271 1 2 . . . . . . . . . 27 . HA parsed_1nj3 1
272 1 1 . . . . . . . . . 27 . HN parsed_1nj3 1
272 1 2 . . . . . . . . . 27 . HB1 parsed_1nj3 1
273 1 1 . . . . . . . . . 27 . HN parsed_1nj3 1
273 1 2 . . . . . . . . . 27 . HB2 parsed_1nj3 1
274 1 1 . . . . . . . . . 27 . HN parsed_1nj3 1
274 1 2 . . . . . . . . . 28 . HN parsed_1nj3 1
275 1 1 . . . . . . . . . 27 . HN parsed_1nj3 1
275 1 2 . . . . . . . . . 28 . HB1 parsed_1nj3 1
276 1 1 . . . . . . . . . 27 . HA parsed_1nj3 1
276 1 2 . . . . . . . . . 27 . HB# parsed_1nj3 1
277 1 1 . . . . . . . . . 27 . HB# parsed_1nj3 1
277 1 2 . . . . . . . . . 28 . HN parsed_1nj3 1
278 1 1 . . . . . . . . . 28 . HN parsed_1nj3 1
278 1 2 . . . . . . . . . 28 . HB1 parsed_1nj3 1
279 1 1 . . . . . . . . . 28 . HN parsed_1nj3 1
279 1 2 . . . . . . . . . 28 . HB2 parsed_1nj3 1
280 1 1 . . . . . . . . . 28 . HN parsed_1nj3 1
280 1 2 . . . . . . . . . 28 . HG parsed_1nj3 1
281 1 1 . . . . . . . . . 28 . HN parsed_1nj3 1
281 1 2 . . . . . . . . . 28 . HD1# parsed_1nj3 1
282 1 1 . . . . . . . . . 28 . HN parsed_1nj3 1
282 1 2 . . . . . . . . . 28 . HD2# parsed_1nj3 1
283 1 1 . . . . . . . . . 28 . HN parsed_1nj3 1
283 1 2 . . . . . . . . . 28 . HD## parsed_1nj3 1
284 1 1 . . . . . . . . . 28 . HN parsed_1nj3 1
284 1 2 . . . . . . . . . 29 . HD# parsed_1nj3 1
285 1 1 . . . . . . . . . 28 . HA parsed_1nj3 1
285 1 2 . . . . . . . . . 29 . HD1 parsed_1nj3 1
286 1 1 . . . . . . . . . 28 . HA parsed_1nj3 1
286 1 2 . . . . . . . . . 29 . HD2 parsed_1nj3 1
287 1 1 . . . . . . . . . 28 . HA parsed_1nj3 1
287 1 2 . . . . . . . . . 29 . HD# parsed_1nj3 1
288 1 1 . . . . . . . . . 28 . HB2 parsed_1nj3 1
288 1 2 . . . . . . . . . 29 . HD1 parsed_1nj3 1
289 1 1 . . . . . . . . . 28 . HB2 parsed_1nj3 1
289 1 2 . . . . . . . . . 29 . HD2 parsed_1nj3 1
290 1 1 . . . . . . . . . 28 . HB2 parsed_1nj3 1
290 1 2 . . . . . . . . . 29 . HD# parsed_1nj3 1
291 1 1 . . . . . . . . . 28 . HD## parsed_1nj3 1
291 1 2 . . . . . . . . . 29 . HD# parsed_1nj3 1
292 1 1 . . . . . . . . . 29 . HA parsed_1nj3 1
292 1 2 . . . . . . . . . 30 . HN parsed_1nj3 1
293 1 1 . . . . . . . . . 29 . HB# parsed_1nj3 1
293 1 2 . . . . . . . . . 30 . HN parsed_1nj3 1
294 1 1 . . . . . . . . . 29 . HB# parsed_1nj3 1
294 1 2 . . . . . . . . . 31 . HN parsed_1nj3 1
295 1 1 . . . . . . . . . 30 . HN parsed_1nj3 1
295 1 2 . . . . . . . . . 30 . HB1 parsed_1nj3 1
296 1 1 . . . . . . . . . 30 . HN parsed_1nj3 1
296 1 2 . . . . . . . . . 30 . HB2 parsed_1nj3 1
297 1 1 . . . . . . . . . 30 . HN parsed_1nj3 1
297 1 2 . . . . . . . . . 30 . HG# parsed_1nj3 1
298 1 1 . . . . . . . . . 30 . HN parsed_1nj3 1
298 1 2 . . . . . . . . . 30 . HD# parsed_1nj3 1
299 1 1 . . . . . . . . . 30 . HN parsed_1nj3 1
299 1 2 . . . . . . . . . 31 . HB parsed_1nj3 1
300 1 1 . . . . . . . . . 30 . HA parsed_1nj3 1
300 1 2 . . . . . . . . . 30 . HB1 parsed_1nj3 1
301 1 1 . . . . . . . . . 30 . HA parsed_1nj3 1
301 1 2 . . . . . . . . . 30 . HG# parsed_1nj3 1
302 1 1 . . . . . . . . . 30 . HA parsed_1nj3 1
302 1 2 . . . . . . . . . 31 . HN parsed_1nj3 1
303 1 1 . . . . . . . . . 30 . HA parsed_1nj3 1
303 1 2 . . . . . . . . . 31 . HA parsed_1nj3 1
304 1 1 . . . . . . . . . 30 . HB1 parsed_1nj3 1
304 1 2 . . . . . . . . . 30 . HD# parsed_1nj3 1
305 1 1 . . . . . . . . . 30 . HB1 parsed_1nj3 1
305 1 2 . . . . . . . . . 31 . HN parsed_1nj3 1
306 1 1 . . . . . . . . . 30 . HB2 parsed_1nj3 1
306 1 2 . . . . . . . . . 31 . HN parsed_1nj3 1
307 1 1 . . . . . . . . . 30 . HG# parsed_1nj3 1
307 1 2 . . . . . . . . . 31 . HN parsed_1nj3 1
308 1 1 . . . . . . . . . 30 . HD# parsed_1nj3 1
308 1 2 . . . . . . . . . 31 . HN parsed_1nj3 1
309 1 1 . . . . . . . . . 31 . HN parsed_1nj3 1
309 1 2 . . . . . . . . . 31 . HB parsed_1nj3 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 . . . . . 3.2 1.8 4.6 parsed_1nj3 1
2 1 . . . . . 4.3 1.8 6.8 parsed_1nj3 1
3 1 . . . . . 2.3 1.8 2.8 parsed_1nj3 1
4 1 . . . . . 4.4 1.8 7.0 parsed_1nj3 1
5 1 . . . . . 2.5 1.8 3.5 parsed_1nj3 1
6 1 . . . . . 2.8 1.8 3.8 parsed_1nj3 1
7 1 . . . . . 3.2 1.8 4.6 parsed_1nj3 1
8 1 . . . . . 3.2 1.8 4.6 parsed_1nj3 1
9 1 . . . . . 2.9 1.8 4.0 parsed_1nj3 1
10 1 . . . . . 3.2 1.8 4.6 parsed_1nj3 1
11 1 . . . . . 3.9 1.8 6.0 parsed_1nj3 1
12 1 . . . . . 3.9 1.8 6.0 parsed_1nj3 1
13 1 . . . . . 2.4 1.8 3.0 parsed_1nj3 1
14 1 . . . . . 2.9 1.8 4.0 parsed_1nj3 1
15 1 . . . . . 2.2 1.8 2.6 parsed_1nj3 1
16 1 . . . . . 3.1 1.8 4.4 parsed_1nj3 1
17 1 . . . . . 3.1 1.8 4.4 parsed_1nj3 1
18 1 . . . . . 3.0 1.8 4.2 parsed_1nj3 1
19 1 . . . . . 2.9 1.8 4.0 parsed_1nj3 1
20 1 . . . . . 3.9 1.8 6.0 parsed_1nj3 1
21 1 . . . . . 3.9 1.8 6.0 parsed_1nj3 1
22 1 . . . . . 2.6 1.8 3.4 parsed_1nj3 1
23 1 . . . . . 3.9 1.8 6.0 parsed_1nj3 1
24 1 . . . . . 4.6 1.8 7.4 parsed_1nj3 1
25 1 . . . . . 4.6 1.8 7.4 parsed_1nj3 1
26 1 . . . . . 3.9 1.8 6.0 parsed_1nj3 1
27 1 . . . . . 4.6 1.8 7.4 parsed_1nj3 1
28 1 . . . . . 4.6 1.8 7.4 parsed_1nj3 1
29 1 . . . . . 4.3 1.8 6.8 parsed_1nj3 1
30 1 . . . . . 3.6 1.8 5.4 parsed_1nj3 1
31 1 . . . . . 3.9 1.8 6.0 parsed_1nj3 1
32 1 . . . . . 2.9 1.8 4.0 parsed_1nj3 1
33 1 . . . . . 3.1 1.8 4.4 parsed_1nj3 1
34 1 . . . . . 3.9 1.8 6.0 parsed_1nj3 1
35 1 . . . . . 3.5 1.8 5.2 parsed_1nj3 1
36 1 . . . . . 2.8 1.8 3.8 parsed_1nj3 1
37 1 . . . . . 3.6 1.8 5.4 parsed_1nj3 1
38 1 . . . . . 4.3 1.8 6.8 parsed_1nj3 1
39 1 . . . . . 2.3 1.8 2.8 parsed_1nj3 1
40 1 . . . . . 2.3 1.8 2.8 parsed_1nj3 1
41 1 . . . . . 2.2 1.8 2.6 parsed_1nj3 1
42 1 . . . . . 2.7 1.8 3.6 parsed_1nj3 1
43 1 . . . . . 3.0 1.8 4.2 parsed_1nj3 1
44 1 . . . . . 2.5 1.8 3.2 parsed_1nj3 1
45 1 . . . . . 2.9 1.8 4.0 parsed_1nj3 1
46 1 . . . . . 3.8 1.8 5.8 parsed_1nj3 1
47 1 . . . . . 3.3 1.8 4.8 parsed_1nj3 1
48 1 . . . . . 3.4 1.8 5.0 parsed_1nj3 1
49 1 . . . . . 3.0 1.8 4.2 parsed_1nj3 1
50 1 . . . . . 3.9 1.8 6.0 parsed_1nj3 1
51 1 . . . . . 3.2 1.8 4.6 parsed_1nj3 1
52 1 . . . . . 4.3 1.8 6.8 parsed_1nj3 1
53 1 . . . . . 3.2 1.8 4.6 parsed_1nj3 1
54 1 . . . . . 3.8 1.8 5.8 parsed_1nj3 1
55 1 . . . . . 3.9 1.8 6.0 parsed_1nj3 1
56 1 . . . . . 3.9 1.8 6.0 parsed_1nj3 1
57 1 . . . . . 3.9 1.8 6.0 parsed_1nj3 1
58 1 . . . . . 3.9 1.8 6.0 parsed_1nj3 1
59 1 . . . . . 3.8 1.8 5.8 parsed_1nj3 1
60 1 . . . . . 3.8 1.8 5.8 parsed_1nj3 1
61 1 . . . . . 3.7 1.8 5.6 parsed_1nj3 1
62 1 . . . . . 4.1 1.8 6.4 parsed_1nj3 1
63 1 . . . . . 3.9 1.8 6.0 parsed_1nj3 1
64 1 . . . . . 3.0 1.8 4.2 parsed_1nj3 1
65 1 . . . . . 3.4 1.8 5.0 parsed_1nj3 1
66 1 . . . . . 3.0 1.8 4.2 parsed_1nj3 1
67 1 . . . . . 3.0 1.8 4.2 parsed_1nj3 1
68 1 . . . . . 3.7 1.8 5.6 parsed_1nj3 1
69 1 . . . . . 5.1 1.8 8.4 parsed_1nj3 1
70 1 . . . . . 3.7 1.8 5.6 parsed_1nj3 1
71 1 . . . . . 2.1 1.8 2.4 parsed_1nj3 1
72 1 . . . . . 2.2 1.8 2.6 parsed_1nj3 1
73 1 . . . . . 2.3 1.8 2.8 parsed_1nj3 1
74 1 . . . . . 2.3 1.8 2.8 parsed_1nj3 1
75 1 . . . . . 2.4 1.8 3.0 parsed_1nj3 1
76 1 . . . . . 3.5 1.8 5.2 parsed_1nj3 1
77 1 . . . . . 3.6 1.8 5.4 parsed_1nj3 1
78 1 . . . . . 3.2 1.8 4.6 parsed_1nj3 1
79 1 . . . . . 3.0 1.8 4.2 parsed_1nj3 1
80 1 . . . . . 3.9 1.8 6.0 parsed_1nj3 1
81 1 . . . . . 3.5 1.8 5.2 parsed_1nj3 1
82 1 . . . . . 3.9 1.8 6.0 parsed_1nj3 1
83 1 . . . . . 4.3 1.8 6.8 parsed_1nj3 1
84 1 . . . . . 2.4 1.8 3.0 parsed_1nj3 1
85 1 . . . . . 2.3 1.8 2.8 parsed_1nj3 1
86 1 . . . . . 3.7 1.8 5.6 parsed_1nj3 1
87 1 . . . . . 2.6 1.8 3.4 parsed_1nj3 1
88 1 . . . . . 3.3 1.8 4.8 parsed_1nj3 1
89 1 . . . . . 3.3 1.8 4.8 parsed_1nj3 1
90 1 . . . . . 3.1 1.8 4.4 parsed_1nj3 1
91 1 . . . . . 3.0 1.8 4.2 parsed_1nj3 1
92 1 . . . . . 3.7 1.8 5.6 parsed_1nj3 1
93 1 . . . . . 3.5 1.8 5.2 parsed_1nj3 1
94 1 . . . . . 2.7 1.8 3.6 parsed_1nj3 1
95 1 . . . . . 3.5 1.8 5.2 parsed_1nj3 1
96 1 . . . . . 4.3 1.8 6.8 parsed_1nj3 1
97 1 . . . . . 2.7 1.8 3.6 parsed_1nj3 1
98 1 . . . . . 3.5 1.8 5.2 parsed_1nj3 1
99 1 . . . . . 3.1 1.8 4.4 parsed_1nj3 1
100 1 . . . . . 3.6 1.8 5.4 parsed_1nj3 1
101 1 . . . . . 3.2 1.8 4.6 parsed_1nj3 1
102 1 . . . . . 3.9 1.8 6.0 parsed_1nj3 1
103 1 . . . . . 3.9 1.8 6.0 parsed_1nj3 1
104 1 . . . . . 4.3 1.8 6.8 parsed_1nj3 1
105 1 . . . . . 2.5 1.8 3.2 parsed_1nj3 1
106 1 . . . . . 3.6 1.8 5.4 parsed_1nj3 1
107 1 . . . . . 3.6 1.8 5.4 parsed_1nj3 1
108 1 . . . . . 3.0 1.8 4.2 parsed_1nj3 1
109 1 . . . . . 3.6 1.8 5.4 parsed_1nj3 1
110 1 . . . . . 4.4 1.8 7.0 parsed_1nj3 1
111 1 . . . . . 3.4 1.8 5.0 parsed_1nj3 1
112 1 . . . . . 3.1 1.8 4.4 parsed_1nj3 1
113 1 . . . . . 2.7 1.8 3.6 parsed_1nj3 1
114 1 . . . . . 2.6 1.8 3.4 parsed_1nj3 1
115 1 . . . . . 2.4 1.8 3.0 parsed_1nj3 1
116 1 . . . . . 3.1 1.8 4.4 parsed_1nj3 1
117 1 . . . . . 4.4 1.8 7.0 parsed_1nj3 1
118 1 . . . . . 3.1 1.8 4.4 parsed_1nj3 1
119 1 . . . . . 2.2 1.8 2.6 parsed_1nj3 1
120 1 . . . . . 2.3 1.8 2.8 parsed_1nj3 1
121 1 . . . . . 3.9 1.8 6.0 parsed_1nj3 1
122 1 . . . . . 3.4 1.8 5.0 parsed_1nj3 1
123 1 . . . . . 3.1 1.8 4.4 parsed_1nj3 1
124 1 . . . . . 3.3 1.8 4.8 parsed_1nj3 1
125 1 . . . . . 2.2 1.8 2.6 parsed_1nj3 1
126 1 . . . . . 2.8 1.8 3.8 parsed_1nj3 1
127 1 . . . . . 2.7 1.8 3.6 parsed_1nj3 1
128 1 . . . . . 4.0 1.8 6.2 parsed_1nj3 1
129 1 . . . . . 2.2 1.8 2.6 parsed_1nj3 1
130 1 . . . . . 4.4 1.8 7.0 parsed_1nj3 1
131 1 . . . . . 2.3 1.8 2.8 parsed_1nj3 1
132 1 . . . . . 2.4 1.8 3.0 parsed_1nj3 1
133 1 . . . . . 3.1 1.8 4.4 parsed_1nj3 1
134 1 . . . . . 3.4 1.8 5.0 parsed_1nj3 1
135 1 . . . . . 2.4 1.8 3.0 parsed_1nj3 1
136 1 . . . . . 2.2 1.8 2.6 parsed_1nj3 1
137 1 . . . . . 3.2 1.8 4.6 parsed_1nj3 1
138 1 . . . . . 2.8 1.8 3.8 parsed_1nj3 1
139 1 . . . . . 2.6 1.8 3.7 parsed_1nj3 1
140 1 . . . . . 4.3 1.8 6.8 parsed_1nj3 1
141 1 . . . . . 5.0 1.8 8.2 parsed_1nj3 1
142 1 . . . . . 5.4 1.8 9.0 parsed_1nj3 1
143 1 . . . . . 5.0 1.8 8.2 parsed_1nj3 1
144 1 . . . . . 5.0 1.8 8.2 parsed_1nj3 1
145 1 . . . . . 5.0 1.8 8.2 parsed_1nj3 1
146 1 . . . . . 5.0 1.8 8.2 parsed_1nj3 1
147 1 . . . . . 4.6 1.8 7.4 parsed_1nj3 1
148 1 . . . . . 5.0 1.8 8.2 parsed_1nj3 1
149 1 . . . . . 5.0 1.8 8.2 parsed_1nj3 1
150 1 . . . . . 4.9 1.8 8.0 parsed_1nj3 1
151 1 . . . . . 5.0 1.8 8.2 parsed_1nj3 1
152 1 . . . . . 5.0 1.8 8.2 parsed_1nj3 1
153 1 . . . . . 2.5 1.8 3.2 parsed_1nj3 1
154 1 . . . . . 2.7 1.8 3.6 parsed_1nj3 1
155 1 . . . . . 3.9 1.8 6.0 parsed_1nj3 1
156 1 . . . . . 3.2 1.7 4.7 parsed_1nj3 1
157 1 . . . . . 2.1 1.8 2.4 parsed_1nj3 1
158 1 . . . . . 3.1 1.8 4.7 parsed_1nj3 1
159 1 . . . . . 3.4 1.8 5.0 parsed_1nj3 1
160 1 . . . . . 3.1 1.8 4.4 parsed_1nj3 1
161 1 . . . . . 4.3 1.8 6.8 parsed_1nj3 1
162 1 . . . . . 2.4 1.8 3.0 parsed_1nj3 1
163 1 . . . . . 2.4 1.8 3.0 parsed_1nj3 1
164 1 . . . . . 2.5 1.8 3.2 parsed_1nj3 1
165 1 . . . . . 4.3 1.8 6.8 parsed_1nj3 1
166 1 . . . . . 3.5 1.8 5.2 parsed_1nj3 1
167 1 . . . . . 2.2 1.8 2.6 parsed_1nj3 1
168 1 . . . . . 3.0 1.8 4.2 parsed_1nj3 1
169 1 . . . . . 3.4 1.8 5.0 parsed_1nj3 1
170 1 . . . . . 4.1 1.8 6.4 parsed_1nj3 1
171 1 . . . . . 4.3 1.8 6.8 parsed_1nj3 1
172 1 . . . . . 4.3 1.8 6.8 parsed_1nj3 1
173 1 . . . . . 2.5 1.8 3.5 parsed_1nj3 1
174 1 . . . . . 2.9 1.8 4.0 parsed_1nj3 1
175 1 . . . . . 2.8 1.8 3.8 parsed_1nj3 1
176 1 . . . . . 2.8 1.8 3.8 parsed_1nj3 1
177 1 . . . . . 2.7 1.8 3.6 parsed_1nj3 1
178 1 . . . . . 4.3 1.8 6.8 parsed_1nj3 1
179 1 . . . . . 3.9 1.8 6.0 parsed_1nj3 1
180 1 . . . . . 3.9 1.8 6.0 parsed_1nj3 1
181 1 . . . . . 4.0 1.8 6.2 parsed_1nj3 1
182 1 . . . . . 2.3 1.8 2.8 parsed_1nj3 1
183 1 . . . . . 3.9 1.8 6.0 parsed_1nj3 1
184 1 . . . . . 3.9 1.8 6.0 parsed_1nj3 1
185 1 . . . . . 2.2 1.8 2.6 parsed_1nj3 1
186 1 . . . . . 3.9 1.8 6.0 parsed_1nj3 1
187 1 . . . . . 3.1 1.8 4.4 parsed_1nj3 1
188 1 . . . . . 2.2 1.8 2.6 parsed_1nj3 1
189 1 . . . . . 3.9 1.8 6.0 parsed_1nj3 1
190 1 . . . . . 3.9 1.8 6.0 parsed_1nj3 1
191 1 . . . . . 3.2 1.8 4.6 parsed_1nj3 1
192 1 . . . . . 3.5 1.8 5.2 parsed_1nj3 1
193 1 . . . . . 4.3 1.8 6.8 parsed_1nj3 1
194 1 . . . . . 3.1 1.8 4.4 parsed_1nj3 1
195 1 . . . . . 3.6 1.8 5.4 parsed_1nj3 1
196 1 . . . . . 2.9 1.7 4.1 parsed_1nj3 1
197 1 . . . . . 2.8 1.8 3.8 parsed_1nj3 1
198 1 . . . . . 2.7 1.8 3.6 parsed_1nj3 1
199 1 . . . . . 3.3 1.8 4.8 parsed_1nj3 1
200 1 . . . . . 2.3 1.8 2.8 parsed_1nj3 1
201 1 . . . . . 3.4 1.8 5.0 parsed_1nj3 1
202 1 . . . . . 3.5 1.8 5.2 parsed_1nj3 1
203 1 . . . . . 2.8 1.8 3.8 parsed_1nj3 1
204 1 . . . . . 2.9 1.8 4.0 parsed_1nj3 1
205 1 . . . . . 3.9 1.8 6.0 parsed_1nj3 1
206 1 . . . . . 4.4 1.8 7.0 parsed_1nj3 1
207 1 . . . . . 3.9 1.8 6.0 parsed_1nj3 1
208 1 . . . . . 4.3 1.8 6.8 parsed_1nj3 1
209 1 . . . . . 4.8 1.8 7.8 parsed_1nj3 1
210 1 . . . . . 3.1 1.8 4.4 parsed_1nj3 1
211 1 . . . . . 2.8 1.8 3.8 parsed_1nj3 1
212 1 . . . . . 3.6 1.8 5.4 parsed_1nj3 1
213 1 . . . . . 3.3 1.8 4.8 parsed_1nj3 1
214 1 . . . . . 2.4 1.8 3.0 parsed_1nj3 1
215 1 . . . . . 2.7 1.8 3.6 parsed_1nj3 1
216 1 . . . . . 3.5 1.8 5.2 parsed_1nj3 1
217 1 . . . . . 2.1 1.8 2.4 parsed_1nj3 1
218 1 . . . . . 2.6 1.8 3.4 parsed_1nj3 1
219 1 . . . . . 2.7 1.8 3.6 parsed_1nj3 1
220 1 . . . . . 3.0 1.8 4.2 parsed_1nj3 1
221 1 . . . . . 3.9 1.8 6.0 parsed_1nj3 1
222 1 . . . . . 2.7 1.8 3.6 parsed_1nj3 1
223 1 . . . . . 3.2 1.7 4.7 parsed_1nj3 1
224 1 . . . . . 3.2 1.8 4.6 parsed_1nj3 1
225 1 . . . . . 3.0 1.8 4.2 parsed_1nj3 1
226 1 . . . . . 3.7 1.8 5.6 parsed_1nj3 1
227 1 . . . . . 2.7 1.8 3.6 parsed_1nj3 1
228 1 . . . . . 2.5 1.8 3.2 parsed_1nj3 1
229 1 . . . . . 3.5 1.8 5.2 parsed_1nj3 1
230 1 . . . . . 3.1 1.8 4.4 parsed_1nj3 1
231 1 . . . . . 3.0 1.8 4.2 parsed_1nj3 1
232 1 . . . . . 2.2 1.8 2.6 parsed_1nj3 1
233 1 . . . . . 3.1 1.8 4.4 parsed_1nj3 1
234 1 . . . . . 3.3 1.8 4.8 parsed_1nj3 1
235 1 . . . . . 3.1 1.8 4.4 parsed_1nj3 1
236 1 . . . . . 3.1 1.8 4.4 parsed_1nj3 1
237 1 . . . . . 2.9 1.8 4.0 parsed_1nj3 1
238 1 . . . . . 3.4 1.8 5.0 parsed_1nj3 1
239 1 . . . . . 3.3 1.8 4.8 parsed_1nj3 1
240 1 . . . . . 3.2 1.8 4.6 parsed_1nj3 1
241 1 . . . . . 2.8 1.8 3.8 parsed_1nj3 1
242 1 . . . . . 2.5 1.8 3.2 parsed_1nj3 1
243 1 . . . . . 2.8 1.8 3.8 parsed_1nj3 1
244 1 . . . . . 2.6 1.8 3.4 parsed_1nj3 1
245 1 . . . . . 2.5 1.8 3.2 parsed_1nj3 1
246 1 . . . . . 3.6 1.8 5.4 parsed_1nj3 1
247 1 . . . . . 3.6 1.8 5.4 parsed_1nj3 1
248 1 . . . . . 3.1 1.8 4.4 parsed_1nj3 1
249 1 . . . . . 2.6 1.8 3.4 parsed_1nj3 1
250 1 . . . . . 3.8 1.8 5.8 parsed_1nj3 1
251 1 . . . . . 3.4 1.8 5.0 parsed_1nj3 1
252 1 . . . . . 2.4 1.9 2.9 parsed_1nj3 1
253 1 . . . . . 3.1 1.8 4.4 parsed_1nj3 1
254 1 . . . . . 3.1 1.8 4.4 parsed_1nj3 1
255 1 . . . . . 4.3 1.8 6.8 parsed_1nj3 1
256 1 . . . . . 2.6 1.8 3.4 parsed_1nj3 1
257 1 . . . . . 3.6 1.8 5.4 parsed_1nj3 1
258 1 . . . . . 3.6 1.8 5.4 parsed_1nj3 1
259 1 . . . . . 3.5 1.8 5.2 parsed_1nj3 1
260 1 . . . . . 2.5 1.8 3.2 parsed_1nj3 1
261 1 . . . . . 3.5 1.8 5.5 parsed_1nj3 1
262 1 . . . . . 2.9 1.8 4.0 parsed_1nj3 1
263 1 . . . . . 2.7 1.8 3.6 parsed_1nj3 1
264 1 . . . . . 4.3 1.8 6.8 parsed_1nj3 1
265 1 . . . . . 2.6 1.8 3.4 parsed_1nj3 1
266 1 . . . . . 2.4 1.8 3.0 parsed_1nj3 1
267 1 . . . . . 3.3 1.8 4.8 parsed_1nj3 1
268 1 . . . . . 2.2 1.8 2.6 parsed_1nj3 1
269 1 . . . . . 2.3 1.8 2.8 parsed_1nj3 1
270 1 . . . . . 3.3 1.8 4.8 parsed_1nj3 1
271 1 . . . . . 2.3 1.8 2.8 parsed_1nj3 1
272 1 . . . . . 3.0 1.8 4.2 parsed_1nj3 1
273 1 . . . . . 3.0 1.8 4.2 parsed_1nj3 1
274 1 . . . . . 2.7 1.8 3.6 parsed_1nj3 1
275 1 . . . . . 3.3 1.8 5.1 parsed_1nj3 1
276 1 . . . . . 2.2 1.8 2.6 parsed_1nj3 1
277 1 . . . . . 3.0 1.8 4.2 parsed_1nj3 1
278 1 . . . . . 2.4 1.8 3.3 parsed_1nj3 1
279 1 . . . . . 2.8 1.8 3.8 parsed_1nj3 1
280 1 . . . . . 2.7 1.8 3.6 parsed_1nj3 1
281 1 . . . . . 4.2 1.8 6.6 parsed_1nj3 1
282 1 . . . . . 4.2 1.8 6.6 parsed_1nj3 1
283 1 . . . . . 4.1 1.8 6.4 parsed_1nj3 1
284 1 . . . . . 4.3 1.8 6.8 parsed_1nj3 1
285 1 . . . . . 2.3 1.8 2.8 parsed_1nj3 1
286 1 . . . . . 2.3 1.8 2.8 parsed_1nj3 1
287 1 . . . . . 2.2 1.8 2.6 parsed_1nj3 1
288 1 . . . . . 3.1 1.8 4.4 parsed_1nj3 1
289 1 . . . . . 3.1 1.8 4.4 parsed_1nj3 1
290 1 . . . . . 2.8 1.8 3.8 parsed_1nj3 1
291 1 . . . . . 4.3 1.8 6.8 parsed_1nj3 1
292 1 . . . . . 2.2 1.8 2.6 parsed_1nj3 1
293 1 . . . . . 2.9 1.8 4.0 parsed_1nj3 1
294 1 . . . . . 3.5 1.8 5.2 parsed_1nj3 1
295 1 . . . . . 2.4 1.8 3.0 parsed_1nj3 1
296 1 . . . . . 2.4 1.8 3.0 parsed_1nj3 1
297 1 . . . . . 3.7 1.8 5.6 parsed_1nj3 1
298 1 . . . . . 3.6 1.8 5.4 parsed_1nj3 1
299 1 . . . . . 3.2 1.8 4.6 parsed_1nj3 1
300 1 . . . . . 2.4 1.8 3.0 parsed_1nj3 1
301 1 . . . . . 2.8 1.8 3.8 parsed_1nj3 1
302 1 . . . . . 2.5 1.8 3.2 parsed_1nj3 1
303 1 . . . . . 3.1 1.8 4.4 parsed_1nj3 1
304 1 . . . . . 2.9 1.8 4.0 parsed_1nj3 1
305 1 . . . . . 3.2 1.8 4.6 parsed_1nj3 1
306 1 . . . . . 2.8 1.8 3.8 parsed_1nj3 1
307 1 . . . . . 3.5 1.8 5.2 parsed_1nj3 1
308 1 . . . . . 4.3 1.8 6.8 parsed_1nj3 1
309 1 . . . . . 2.8 1.8 3.8 parsed_1nj3 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
;
removed all duplicates from pseudoatom calls only ..using pseudoatom calls
add steroe assignments for Gly HAs 10/11/2002
THR3
;
1 1 3 6 parsed_1nj3 1
2 ALA5 5 1 5 6 parsed_1nj3 1
3 MET6 9 1 9 6 parsed_1nj3 1
4 "added 0.3 6/28/2002" 10 77 10 97 parsed_1nj3 1
5 TRP7 37 1 37 6 parsed_1nj3 1
6 ALA8 77 1 77 6 parsed_1nj3 1
7 CYS9 80 1 80 6 parsed_1nj3 1
8 GLN10 102 1 102 7 parsed_1nj3 1
9 HIS11 114 1 114 7 parsed_1nj3 1
10 CYS12 123 1 123 7 parsed_1nj3 1
11 THR13 136 1 136 7 parsed_1nj3 1
12 PHE14 143 1 143 7 parsed_1nj3 1
13 "added 0.3 6/28/200" 152 77 152 96 parsed_1nj3 1
14 MET15 166 1 166 7 parsed_1nj3 1
15 "added 0.3 10/10/2002" 172 77 172 98 parsed_1nj3 1
16 ASN16 176 1 176 7 parsed_1nj3 1
17 GLN17 188 1 188 7 parsed_1nj3 1
18 "added 0.3 10/10/2002" 189 77 189 98 parsed_1nj3 1
19 GLY19 210 1 210 7 parsed_1nj3 1
20 "added 10/7/2002" 213 78 213 94 parsed_1nj3 1
21
;
added
THR20
;
214 78 215 7 parsed_1nj3 1
22 GLY21 225 1 225 7 parsed_1nj3 1
23
;
added 10/11/2002
HIS22
;
229 77 230 7 parsed_1nj3 1
24 CYS23 247 1 247 7 parsed_1nj3 1
25 GLU24 265 1 265 7 parsed_1nj3 1
26 MET25 278 1 278 7 parsed_1nj3 1
27 "loosened rnd16 0.3 A" 284 77 284 98 parsed_1nj3 1
28 CYS26 288 1 288 7 parsed_1nj3 1
29 SER27 295 1 295 7 parsed_1nj3 1
30 "loosened rnd16 0.3A" 300 77 300 97 parsed_1nj3 1
31 LEU28 303 1 303 7 parsed_1nj3 1
32 "added 0.3 6/28/2002" 304 77 304 97 parsed_1nj3 1
33 PRO29 318 1 318 7 parsed_1nj3 1
34 ARG30 322 1 322 7 parsed_1nj3 1
35 THR31 337 1 337 7 parsed_1nj3 1
stop_
save_
save_MR_file_comment_3
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1nj3
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 3
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "## HBOND RESTRAINTS####"
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1nj3
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "hydrogen bond"
_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_1nj3 2
2 1 . . . parsed_1nj3 2
3 1 . . . parsed_1nj3 2
4 1 . . . parsed_1nj3 2
5 1 . . . parsed_1nj3 2
6 1 . . . parsed_1nj3 2
7 1 . . . parsed_1nj3 2
8 1 . . . parsed_1nj3 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 . . . . . . . . . 14 . O parsed_1nj3 2
1 1 2 . . . . . . . . . 9 . N parsed_1nj3 2
2 1 1 . . . . . . . . . 14 . O parsed_1nj3 2
2 1 2 . . . . . . . . . 9 . HN parsed_1nj3 2
3 1 1 . . . . . . . . . 7 . O parsed_1nj3 2
3 1 2 . . . . . . . . . 16 . N parsed_1nj3 2
4 1 1 . . . . . . . . . 7 . O parsed_1nj3 2
4 1 2 . . . . . . . . . 16 . HN parsed_1nj3 2
5 1 1 . . . . . . . . . 17 . O parsed_1nj3 2
5 1 2 . . . . . . . . . 20 . N parsed_1nj3 2
6 1 1 . . . . . . . . . 17 . O parsed_1nj3 2
6 1 2 . . . . . . . . . 20 . HN parsed_1nj3 2
7 1 1 . . . . . . . . . 19 . O parsed_1nj3 2
7 1 2 . . . . . . . . . 21 . N parsed_1nj3 2
8 1 1 . . . . . . . . . 19 . O parsed_1nj3 2
8 1 2 . . . . . . . . . 21 . HN parsed_1nj3 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 . . . . . 2.8 2.4 3.7 parsed_1nj3 2
2 1 . . . . . 1.8 1.4 2.7 parsed_1nj3 2
3 1 . . . . . 2.8 2.4 3.7 parsed_1nj3 2
4 1 . . . . . 1.8 1.4 2.7 parsed_1nj3 2
5 1 . . . . . 2.8 2.4 3.7 parsed_1nj3 2
6 1 . . . . . 1.8 1.4 2.7 parsed_1nj3 2
7 1 . . . . . 2.8 2.4 3.7 parsed_1nj3 2
8 1 . . . . . 1.8 1.4 2.7 parsed_1nj3 2
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 CYS9 2 1 2 6 parsed_1nj3 2
2 N16 6 1 6 5 parsed_1nj3 2
3 T20 11 1 11 5 parsed_1nj3 2
4 G19 15 1 15 5 parsed_1nj3 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_1nj3
_Org_constr_file_comment.ID 3
_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 "####ZINC RESTRAINTS####"
save_
save_CNS/XPLOR_distance_constraints_6
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1nj3
_Distance_constraint_list.ID 3
_Distance_constraint_list.Constraint_type "general distance"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 6
_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_1nj3 3
2 1 . . . parsed_1nj3 3
3 1 . . . parsed_1nj3 3
4 1 . . . parsed_1nj3 3
5 1 . . . parsed_1nj3 3
6 1 . . . parsed_1nj3 3
7 1 . . . parsed_1nj3 3
8 1 . . . parsed_1nj3 3
9 1 . . . parsed_1nj3 3
10 1 . . . parsed_1nj3 3
11 1 . . . parsed_1nj3 3
12 1 . . . parsed_1nj3 3
13 1 . . . parsed_1nj3 3
14 1 . . . parsed_1nj3 3
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.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 . . . . . . . . . 9 . SG parsed_1nj3 3
1 1 2 . . . . . . . . . 12 . SG parsed_1nj3 3
2 1 1 . . . . . . . . . 9 . SG parsed_1nj3 3
2 1 2 . . . . . . . . . 23 . SG parsed_1nj3 3
3 1 1 . . . . . . . . . 9 . SG parsed_1nj3 3
3 1 2 . . . . . . . . . 26 . SG parsed_1nj3 3
4 1 1 . . . . . . . . . 12 . SG parsed_1nj3 3
4 1 2 . . . . . . . . . 23 . SG parsed_1nj3 3
5 1 1 . . . . . . . . . 12 . SG parsed_1nj3 3
5 1 2 . . . . . . . . . 26 . SG parsed_1nj3 3
6 1 1 . . . . . . . . . 23 . SG parsed_1nj3 3
6 1 2 . . . . . . . . . 26 . SG parsed_1nj3 3
7 1 1 . . . . . . . . . 32 . ZN+2 parsed_1nj3 3
7 1 2 . . . . . . . . . 9 . SG parsed_1nj3 3
8 1 1 . . . . . . . . . 32 . ZN+2 parsed_1nj3 3
8 1 2 . . . . . . . . . 12 . SG parsed_1nj3 3
9 1 1 . . . . . . . . . 32 . ZN+2 parsed_1nj3 3
9 1 2 . . . . . . . . . 23 . SG parsed_1nj3 3
10 1 1 . . . . . . . . . 32 . ZN+2 parsed_1nj3 3
10 1 2 . . . . . . . . . 26 . SG parsed_1nj3 3
11 1 1 . . . . . . . . . 32 . ZN+2 parsed_1nj3 3
11 1 2 . . . . . . . . . 9 . CB parsed_1nj3 3
12 1 1 . . . . . . . . . 32 . ZN+2 parsed_1nj3 3
12 1 2 . . . . . . . . . 12 . CB parsed_1nj3 3
13 1 1 . . . . . . . . . 32 . ZN+2 parsed_1nj3 3
13 1 2 . . . . . . . . . 23 . CB parsed_1nj3 3
14 1 1 . . . . . . . . . 32 . ZN+2 parsed_1nj3 3
14 1 2 . . . . . . . . . 26 . CB parsed_1nj3 3
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 3.96 3.78 4.14 parsed_1nj3 3
2 1 . . . . . 3.96 3.78 4.14 parsed_1nj3 3
3 1 . . . . . 3.96 3.78 4.14 parsed_1nj3 3
4 1 . . . . . 3.96 3.78 4.14 parsed_1nj3 3
5 1 . . . . . 3.96 3.78 4.14 parsed_1nj3 3
6 1 . . . . . 3.96 3.78 4.14 parsed_1nj3 3
7 1 . . . . . 2.35 2.33 2.37 parsed_1nj3 3
8 1 . . . . . 2.35 2.33 2.37 parsed_1nj3 3
9 1 . . . . . 2.35 2.33 2.37 parsed_1nj3 3
10 1 . . . . . 2.35 2.33 2.37 parsed_1nj3 3
11 1 . . . . . 3.43 3.25 3.61 parsed_1nj3 3
12 1 . . . . . 3.43 3.25 3.61 parsed_1nj3 3
13 1 . . . . . 3.43 3.25 3.61 parsed_1nj3 3
14 1 . . . . . 3.43 3.25 3.61 parsed_1nj3 3
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 CYS9 2 1 2 6 parsed_1nj3 3
2 CYS12 6 1 6 7 parsed_1nj3 3
3 CYS23 9 1 9 7 parsed_1nj3 3
4 "ZN restraints" 11 1 11 16 parsed_1nj3 3
5 "Zn CB restraints" 16 1 16 19 parsed_1nj3 3
stop_
save_