NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
50221 |
2jzb   |
15614 | cing | 2-parsed | STAR | dihedral angle | 40 |
data_2jzb_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2jzb
_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_2jzb 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2jzb
_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 2jzb "Master copy" parsed_2jzb
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2jzb
_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 2jzb.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2jzb 1
1 2jzb.mr . . XPLOR/CNS 2 distance NOE simple 1193 parsed_2jzb 1
1 2jzb.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 44 parsed_2jzb 1
1 2jzb.mr . . XPLOR/CNS 4 distance NOE simple 979 parsed_2jzb 1
1 2jzb.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 216 parsed_2jzb 1
1 2jzb.mr . . XPLOR/CNS 6 distance "hydrogen bond" simple 32 parsed_2jzb 1
1 2jzb.mr . . XPLOR/CNS 7 distance NOE simple 39 parsed_2jzb 1
1 2jzb.mr . . XPLOR/CNS 8 distance NOE ambi 1215 parsed_2jzb 1
1 2jzb.mr . . XPLOR/CNS 9 "dihedral angle" "Not applicable" "Not applicable" 40 parsed_2jzb 1
1 2jzb.mr . . "MR format" 10 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2jzb 1
stop_
save_
save_CNS/XPLOR_dihedral_9
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2jzb
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 9
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 440 . N . 440 . CA . 440 . CB . 440 . CG1 parsed_2jzb 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 440 . C . 440 . CA . 440 . CB . 440 . CG2 parsed_2jzb 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 453 . N . 453 . CA . 453 . CB . 453 . CG2 parsed_2jzb 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 453 . C . 453 . CA . 453 . CB . 453 . CG1 parsed_2jzb 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 464 . C . 465 . N . 465 . CA . 465 . C parsed_2jzb 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -60.00 . . 462 . C . 463 . N . 463 . CA . 463 . C parsed_2jzb 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 463 . C . 464 . N . 464 . CA . 464 . C parsed_2jzb 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 265 . C . 266 . N . 266 . CA . 266 . C parsed_2jzb 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 278 . C . 279 . N . 279 . CA . 279 . C parsed_2jzb 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 304 . C . 305 . N . 305 . CA . 305 . C parsed_2jzb 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 305 . C . 306 . N . 306 . CA . 306 . C parsed_2jzb 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 306 . C . 307 . N . 307 . CA . 307 . C parsed_2jzb 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 307 . C . 308 . N . 308 . CA . 308 . C parsed_2jzb 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 308 . C . 309 . N . 309 . CA . 309 . C parsed_2jzb 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 256 . C . 257 . N . 257 . CA . 257 . C parsed_2jzb 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 257 . C . 258 . N . 258 . CA . 258 . C parsed_2jzb 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 268 . C . 269 . N . 269 . CA . 269 . C parsed_2jzb 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 269 . C . 270 . N . 270 . CA . 270 . C parsed_2jzb 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 270 . C . 271 . N . 271 . CA . 271 . C parsed_2jzb 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 271 . C . 272 . N . 272 . CA . 272 . C parsed_2jzb 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 285 . C . 286 . N . 286 . CA . 286 . C parsed_2jzb 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 286 . C . 287 . N . 287 . CA . 287 . C parsed_2jzb 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 287 . C . 288 . N . 288 . CA . 288 . C parsed_2jzb 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 297 . C . 298 . N . 298 . CA . 298 . C parsed_2jzb 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 298 . C . 299 . N . 299 . CA . 299 . C parsed_2jzb 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 0.00 . . 293 . C . 294 . N . 294 . CA . 294 . C parsed_2jzb 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -60.00 . . 294 . C . 295 . N . 295 . CA . 295 . C parsed_2jzb 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.00 180.00 . . 295 . N . 295 . CA . 295 . C . 296 . N parsed_2jzb 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 -60.00 . . 295 . C . 296 . N . 296 . CA . 296 . C parsed_2jzb 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.00 180.00 . . 296 . N . 296 . CA . 296 . C . 297 . N parsed_2jzb 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 306 . HA . 306 . CA . 306 . CB . 306 . HB parsed_2jzb 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 306 . C . 306 . CA . 306 . CB . 306 . CG1 parsed_2jzb 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 264 . C . 264 . CA . 264 . CB . 264 . CG1 parsed_2jzb 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 264 . N . 264 . CA . 264 . CB . 264 . CG2 parsed_2jzb 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 287 . N . 287 . CA . 287 . CB . 287 . CG2 parsed_2jzb 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 287 . C . 287 . CA . 287 . CB . 287 . CG1 parsed_2jzb 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 282 . C . 282 . CA . 282 . CB . 282 . CG2 parsed_2jzb 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 282 . N . 282 . CA . 282 . CB . 282 . HB parsed_2jzb 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 257 . N . 257 . CA . 257 . CB . 257 . HB parsed_2jzb 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.00 210.00 . . 257 . C . 257 . CA . 257 . CB . 257 . CG2 parsed_2jzb 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1 "dihedral restraints" 1 1 1 22 parsed_2jzb 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 "# dihedral restraints" 25 1 25 21 parsed_2jzb 1
stop_
save_
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