NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
653161 |
6l8r   |
cing | 2-parsed | STAR | dihedral angle | 48 |
data_6l8r_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6l8r
_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_6l8r 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6l8r
_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 6l8r "Master copy" parsed_6l8r
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6l8r
_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 6l8r.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6l8r 1
1 6l8r.mr . . XPLOR/CNS 2 distance NOE simple 0 parsed_6l8r 1
1 6l8r.mr . . XPLOR/CNS 3 distance NOE simple 397 parsed_6l8r 1
1 6l8r.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 48 parsed_6l8r 1
1 6l8r.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6l8r 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6l8r
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.0 -1.0 . . 260 . C . 261 . N . 261 . CA . 261 . C parsed_6l8r 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94.0 174.0 . . 261 . N . 261 . CA . 261 . C . 262 . N parsed_6l8r 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.0 15.0 . . 261 . C . 262 . N . 262 . CA . 262 . C parsed_6l8r 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 61.0 201.0 . . 262 . N . 262 . CA . 262 . C . 263 . N parsed_6l8r 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114.0 26.0 . . 262 . C . 263 . N . 263 . CA . 263 . C parsed_6l8r 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 73.0 250.0 . . 263 . N . 263 . CA . 263 . C . 264 . N parsed_6l8r 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.0 -46.0 . . 264 . C . 265 . N . 265 . CA . 265 . C parsed_6l8r 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77.0 189.0 . . 265 . N . 265 . CA . 265 . C . 266 . N parsed_6l8r 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.0 2.0 . . 265 . C . 266 . N . 266 . CA . 266 . C parsed_6l8r 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 82.0 166.0 . . 266 . N . 266 . CA . 266 . C . 267 . N parsed_6l8r 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128.0 12.0 . . 266 . C . 267 . N . 267 . CA . 267 . C parsed_6l8r 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 84.0 210.0 . . 267 . N . 267 . CA . 267 . C . 268 . N parsed_6l8r 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.0 2.0 . . 267 . C . 268 . N . 268 . CA . 268 . C parsed_6l8r 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24.0 214.0 . . 268 . N . 268 . CA . 268 . C . 269 . N parsed_6l8r 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.0 -34.0 . . 268 . C . 269 . N . 269 . CA . 269 . C parsed_6l8r 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.0 16.0 . . 269 . N . 269 . CA . 269 . C . 270 . N parsed_6l8r 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.0 -7.0 . . 270 . C . 271 . N . 271 . CA . 271 . C parsed_6l8r 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.0 194.0 . . 271 . N . 271 . CA . 271 . C . 272 . N parsed_6l8r 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -65.0 . . 271 . C . 272 . N . 272 . CA . 272 . C parsed_6l8r 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.0 25.0 . . 272 . N . 272 . CA . 272 . C . 273 . N parsed_6l8r 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.0 -2.0 . . 273 . C . 274 . N . 274 . CA . 274 . C parsed_6l8r 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77.0 185.0 . . 274 . N . 274 . CA . 274 . C . 275 . N parsed_6l8r 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.0 7.0 . . 274 . C . 275 . N . 275 . CA . 275 . C parsed_6l8r 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 64.0 204.0 . . 275 . N . 275 . CA . 275 . C . 276 . N parsed_6l8r 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -10.0 . . 275 . C . 276 . N . 276 . CA . 276 . C parsed_6l8r 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 48.0 218.0 . . 276 . N . 276 . CA . 276 . C . 277 . N parsed_6l8r 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.0 -42.0 . . 276 . C . 277 . N . 277 . CA . 277 . C parsed_6l8r 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.0 -5.0 . . 277 . N . 277 . CA . 277 . C . 278 . N parsed_6l8r 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.0 -39.0 . . 277 . C . 278 . N . 278 . CA . 278 . C parsed_6l8r 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 58.0 . . 278 . N . 278 . CA . 278 . C . 279 . N parsed_6l8r 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -162.0 -2.0 . . 279 . C . 280 . N . 280 . CA . 280 . C parsed_6l8r 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.0 210.0 . . 280 . N . 280 . CA . 280 . C . 281 . N parsed_6l8r 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.0 -1.0 . . 280 . C . 281 . N . 281 . CA . 281 . C parsed_6l8r 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 81.0 165.0 . . 281 . N . 281 . CA . 281 . C . 282 . N parsed_6l8r 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.0 3.0 . . 281 . C . 282 . N . 282 . CA . 282 . C parsed_6l8r 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.0 176.0 . . 282 . N . 282 . CA . 282 . C . 283 . N parsed_6l8r 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 5.0 . . 282 . C . 283 . N . 283 . CA . 283 . C parsed_6l8r 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 73.0 213.0 . . 283 . N . 283 . CA . 283 . C . 284 . N parsed_6l8r 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.0 17.0 . . 284 . C . 285 . N . 285 . CA . 285 . C parsed_6l8r 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 72.0 212.0 . . 285 . N . 285 . CA . 285 . C . 286 . N parsed_6l8r 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 0.0 . . 285 . C . 286 . N . 286 . CA . 286 . C parsed_6l8r 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 76.0 160.0 . . 286 . N . 286 . CA . 286 . C . 287 . N parsed_6l8r 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.0 6.0 . . 286 . C . 287 . N . 287 . CA . 287 . C parsed_6l8r 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 73.0 213.0 . . 287 . N . 287 . CA . 287 . C . 288 . N parsed_6l8r 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.0 1.0 . . 287 . C . 288 . N . 288 . CA . 288 . C parsed_6l8r 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 78.0 170.0 . . 288 . N . 288 . CA . 288 . C . 289 . N parsed_6l8r 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.0 -31.0 . . 288 . C . 289 . N . 289 . CA . 289 . C parsed_6l8r 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 54.0 178.0 . . 289 . N . 289 . CA . 289 . C . 290 . N parsed_6l8r 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "# Restraints file 3: D_1300013973_mr_P1.xplor-nih.V1" 1 1 1 52 parsed_6l8r 1
stop_
save_
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