NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type |
|
|
533010 |
2ktr   |
cing | 2-parsed | STAR | dipolar coupling |
data_2ktr_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2ktr
_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_2ktr 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2ktr
_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 2ktr "Master copy" parsed_2ktr
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2ktr
_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 2ktr.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ktr 1
1 2ktr.mr . . XPLOR/CNS 2 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2ktr 1
1 2ktr.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2ktr 1
1 2ktr.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_2ktr 1
1 2ktr.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ktr 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_3
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2ktr
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 3
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint_parse_err.ID
_RDC_constraint_parse_err.Content
_RDC_constraint_parse_err.Begin_line
_RDC_constraint_parse_err.Begin_column
_RDC_constraint_parse_err.End_line
_RDC_constraint_parse_err.End_column
_RDC_constraint_parse_err.Entry_ID
_RDC_constraint_parse_err.RDC_constraint_list_ID
1
;
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;
1 1 5 39 parsed_2ktr 1
2
;
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;
6 1 10 39 parsed_2ktr 1
3
;
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;
11 1 15 39 parsed_2ktr 1
4
;
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;
16 1 20 40 parsed_2ktr 1
5
;
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;
21 1 25 40 parsed_2ktr 1
6
;
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;
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;
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21
;
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;
101 1 105 40 parsed_2ktr 1
22
;
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(resid 50 and name HN) 0.49 0.100
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106 1 110 40 parsed_2ktr 1
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111 1 115 40 parsed_2ktr 1
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;
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131 1 135 40 parsed_2ktr 1
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;
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136 1 140 40 parsed_2ktr 1
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;
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141 1 145 40 parsed_2ktr 1
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;
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146 1 150 40 parsed_2ktr 1
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;
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151 1 155 40 parsed_2ktr 1
32
;
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156 1 160 40 parsed_2ktr 1
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;
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;
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;
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;
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;
assign (resid 500 and name OO)
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(resid 69 and name HN) -0.17 0.100
;
181 1 185 41 parsed_2ktr 1
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;
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;
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;
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;
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;
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;
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;
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;
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;
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;
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;
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;
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;
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;
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;
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;
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;
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;
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;
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;
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;
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;
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;
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;
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;
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;
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;
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;
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;
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;
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;
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;
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;
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;
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;
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;
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426 1 430 39 parsed_2ktr 1
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;
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;
431 1 435 39 parsed_2ktr 1
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;
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;
436 1 440 39 parsed_2ktr 1
89
;
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(resid 500 and name X)
(resid 500 and name Y)
(resid 66 and name N) 0.01 0.100
;
441 1 445 39 parsed_2ktr 1
90
;
assign (resid 500 and name OO)
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(resid 67 and name N) -0.08 0.100
;
446 1 450 40 parsed_2ktr 1
91
;
assign (resid 500 and name OO)
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;
451 1 455 40 parsed_2ktr 1
92
;
assign (resid 500 and name OO)
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;
456 1 460 40 parsed_2ktr 1
93
;
assign (resid 500 and name OO)
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;
461 1 465 40 parsed_2ktr 1
94
;
assign (resid 500 and name OO)
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;
466 1 470 40 parsed_2ktr 1
95
;
assign (resid 500 and name OO)
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;
471 1 475 40 parsed_2ktr 1
96
;
assign (resid 500 and name OO)
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;
476 1 480 40 parsed_2ktr 1
97
;
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;
1026 1 1030 40 parsed_2ktr 1
207
;
assign (resid 500 and name OO)
(resid 500 and name Z)
(resid 500 and name X)
(resid 500 and name Y)
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;
1031 1 1035 40 parsed_2ktr 1
208
;
assign (resid 500 and name OO)
(resid 500 and name Z)
(resid 500 and name X)
(resid 500 and name Y)
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;
1036 1 1040 40 parsed_2ktr 1
209
;
assign (resid 500 and name OO)
(resid 500 and name Z)
(resid 500 and name X)
(resid 500 and name Y)
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;
1041 1 1045 40 parsed_2ktr 1
210
;
assign (resid 500 and name OO)
(resid 500 and name Z)
(resid 500 and name X)
(resid 500 and name Y)
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;
1046 1 1050 40 parsed_2ktr 1
211
;
assign (resid 500 and name OO)
(resid 500 and name Z)
(resid 500 and name X)
(resid 500 and name Y)
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;
1051 1 1055 40 parsed_2ktr 1
212
;
assign (resid 500 and name OO)
(resid 500 and name Z)
(resid 500 and name X)
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;
1056 1 1060 40 parsed_2ktr 1
213
;
assign (resid 500 and name OO)
(resid 500 and name Z)
(resid 500 and name X)
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;
1061 1 1065 40 parsed_2ktr 1
214
;
assign (resid 500 and name OO)
(resid 500 and name Z)
(resid 500 and name X)
(resid 500 and name Y)
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;
1066 1 1070 40 parsed_2ktr 1
215
;
assign (resid 500 and name OO)
(resid 500 and name Z)
(resid 500 and name X)
(resid 500 and name Y)
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;
1071 1 1075 40 parsed_2ktr 1
216
;
assign (resid 500 and name OO)
(resid 500 and name Z)
(resid 500 and name X)
(resid 500 and name Y)
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;
1076 1 1080 40 parsed_2ktr 1
217
;
assign (resid 500 and name OO)
(resid 500 and name Z)
(resid 500 and name X)
(resid 500 and name Y)
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;
1081 1 1085 40 parsed_2ktr 1
218
;
assign (resid 500 and name OO)
(resid 500 and name Z)
(resid 500 and name X)
(resid 500 and name Y)
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;
1086 1 1090 40 parsed_2ktr 1
219
;
assign (resid 500 and name OO)
(resid 500 and name Z)
(resid 500 and name X)
(resid 500 and name Y)
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;
1091 1 1095 40 parsed_2ktr 1
220
;
assign (resid 500 and name OO)
(resid 500 and name Z)
(resid 500 and name X)
(resid 500 and name Y)
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;
1096 1 1100 40 parsed_2ktr 1
221
;
assign (resid 500 and name OO)
(resid 500 and name Z)
(resid 500 and name X)
(resid 500 and name Y)
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;
1101 1 1105 40 parsed_2ktr 1
222
;
assign (resid 500 and name OO)
(resid 500 and name Z)
(resid 500 and name X)
(resid 500 and name Y)
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;
1106 1 1110 40 parsed_2ktr 1
223
;
assign (resid 500 and name OO)
(resid 500 and name Z)
(resid 500 and name X)
(resid 500 and name Y)
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;
1111 1 1115 40 parsed_2ktr 1
224
;
assign (resid 500 and name OO)
(resid 500 and name Z)
(resid 500 and name X)
(resid 500 and name Y)
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;
1116 1 1120 40 parsed_2ktr 1
225
;
assign (resid 500 and name OO)
(resid 500 and name Z)
(resid 500 and name X)
(resid 500 and name Y)
(resid 280 and name N) 0.36 0.100
;
1121 1 1125 40 parsed_2ktr 1
226
;
assign (resid 500 and name OO)
(resid 500 and name Z)
(resid 500 and name X)
(resid 500 and name Y)
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;
1126 1 1130 40 parsed_2ktr 1
227
;
assign (resid 500 and name OO)
(resid 500 and name Z)
(resid 500 and name X)
(resid 500 and name Y)
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;
1131 1 1135 40 parsed_2ktr 1
228
;
assign (resid 500 and name OO)
(resid 500 and name Z)
(resid 500 and name X)
(resid 500 and name Y)
(resid 283 and name N) 0.28 0.100
;
1136 1 1140 40 parsed_2ktr 1
229
;
assign (resid 500 and name OO)
(resid 500 and name Z)
(resid 500 and name X)
(resid 500 and name Y)
(resid 284 and name N) 0.19 0.100
;
1141 1 1145 40 parsed_2ktr 1
230
;
assign (resid 500 and name OO)
(resid 500 and name Z)
(resid 500 and name X)
(resid 500 and name Y)
(resid 285 and name N) 0.13 0.100
;
1146 1 1150 40 parsed_2ktr 1
231
;
assign (resid 500 and name OO)
(resid 500 and name Z)
(resid 500 and name X)
(resid 500 and name Y)
(resid 286 and name N) 0.03 0.100
;
1151 1 1155 40 parsed_2ktr 1
232
;
assign (resid 500 and name OO)
(resid 500 and name Z)
(resid 500 and name X)
(resid 500 and name Y)
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;
1156 1 1160 40 parsed_2ktr 1
233
;
assign (resid 500 and name OO)
(resid 500 and name Z)
(resid 500 and name X)
(resid 500 and name Y)
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;
1161 1 1165 40 parsed_2ktr 1
234
;
assign (resid 500 and name OO)
(resid 500 and name Z)
(resid 500 and name X)
(resid 500 and name Y)
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;
1166 1 1170 40 parsed_2ktr 1
235
;
assign (resid 500 and name OO)
(resid 500 and name Z)
(resid 500 and name X)
(resid 500 and name Y)
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;
1171 1 1175 40 parsed_2ktr 1
236
;
assign (resid 500 and name OO)
(resid 500 and name Z)
(resid 500 and name X)
(resid 500 and name Y)
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;
1176 1 1180 40 parsed_2ktr 1
237
;
assign (resid 500 and name OO)
(resid 500 and name Z)
(resid 500 and name X)
(resid 500 and name Y)
(resid 298 and name N) 0.14 0.100
;
1181 1 1185 40 parsed_2ktr 1
238
;
assign (resid 500 and name OO)
(resid 500 and name Z)
(resid 500 and name X)
(resid 500 and name Y)
(resid 299 and name N) 0.05 0.100
;
1186 1 1190 40 parsed_2ktr 1
239
;
assign (resid 500 and name OO)
(resid 500 and name Z)
(resid 500 and name X)
(resid 500 and name Y)
(resid 300 and name N) 0.09 0.100
;
1191 1 1195 40 parsed_2ktr 1
stop_
save_
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