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 |
|
|
35495 |
1lpw   |
5394 | cing | 2-parsed | STAR | dihedral angle | 18 |
data_1lpw_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1lpw
_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_1lpw 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1lpw
_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 1lpw "Master copy" parsed_1lpw
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1lpw
_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 1lpw.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1lpw 1
1 1lpw.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1lpw 1
1 1lpw.mr . . XPLOR/CNS 3 distance "general distance" simple 40 parsed_1lpw 1
1 1lpw.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1lpw 1
1 1lpw.mr . . XPLOR/CNS 5 distance NOE simple 74 parsed_1lpw 1
1 1lpw.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1lpw 1
1 1lpw.mr . . XPLOR/CNS 7 distance NOE simple 107 parsed_1lpw 1
1 1lpw.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1lpw 1
1 1lpw.mr . . XPLOR/CNS 9 distance NOE simple 25 parsed_1lpw 1
1 1lpw.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_1lpw 1
1 1lpw.mr . . XPLOR/CNS 11 "dihedral angle" "Not applicable" "Not applicable" 76 parsed_1lpw 1
1 1lpw.mr . . n/a 12 comment "Not applicable" "Not applicable" 0 parsed_1lpw 1
1 1lpw.mr . . XPLOR/CNS 13 "dihedral angle" "Not applicable" "Not applicable" 72 parsed_1lpw 1
1 1lpw.mr . . n/a 14 comment "Not applicable" "Not applicable" 0 parsed_1lpw 1
1 1lpw.mr . . XPLOR/CNS 15 "dihedral angle" "Not applicable" "Not applicable" 91 parsed_1lpw 1
1 1lpw.mr . . n/a 16 comment "Not applicable" "Not applicable" 0 parsed_1lpw 1
1 1lpw.mr . . XPLOR/CNS 17 "dihedral angle" "Not applicable" "Not applicable" 2 parsed_1lpw 1
1 1lpw.mr . . n/a 18 comment "Not applicable" "Not applicable" 0 parsed_1lpw 1
1 1lpw.mr . . XPLOR/CNS 19 "dihedral angle" "Not applicable" "Not applicable" 18 parsed_1lpw 1
1 1lpw.mr . . "MR format" 20 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1lpw 1
stop_
save_
save_CNS/XPLOR_dihedral_19
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1lpw
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 19
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . a 1 . O4' a 1 . C1' a 1 . N9 a 1 . C4 parsed_1lpw 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . a 2 . O4' a 2 . C1' a 2 . N9 a 2 . C4 parsed_1lpw 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . a 3 . O4' a 3 . C1' a 3 . N1 a 3 . C2 parsed_1lpw 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . a 4 . O4' a 4 . C1' a 4 . N9 a 4 . C4 parsed_1lpw 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . a 5 . O4' a 5 . C1' a 5 . CG a 5 . C4 parsed_1lpw 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . a 6 . O4' a 6 . C1' a 6 . N9 a 6 . C4 parsed_1lpw 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . a 7 . O4' a 7 . C1' a 7 . N9 a 7 . C4 parsed_1lpw 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . a 8 . O4' a 8 . C1' a 8 . N1 a 8 . C2 parsed_1lpw 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . a 9 . O4' a 9 . C1' a 9 . N9 a 9 . C4 parsed_1lpw 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . b 1 . O4' b 1 . C1' b 1 . N1 b 1 . C2 parsed_1lpw 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . b 2 . O4' b 2 . C1' b 2 . N9 b 2 . C4 parsed_1lpw 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . b 3 . O4' b 3 . C1' b 3 . N1 b 3 . C2 parsed_1lpw 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . b 4 . O4' b 4 . C1' b 4 . N1 b 4 . C2 parsed_1lpw 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . b 5 . O4' b 5 . C1' b 5 . N9 b 5 . C4 parsed_1lpw 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . b 7 . O4' b 7 . C1' b 7 . N1 b 7 . C2 parsed_1lpw 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . b 8 . O4' b 8 . C1' b 8 . N9 b 8 . C4 parsed_1lpw 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . b 9 . O4' b 9 . C1' b 9 . N1 b 9 . C2 parsed_1lpw 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . b 10 . O4' b 10 . C1' b 10 . N1 b 10 . C2 parsed_1lpw 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
;
assi (resi 6 and name O4' and segi b)(resi 6 and name C1' and segi b)
(resi 6 and name N9 and segi b)(resi 6 and name C4 and segi b) 25.0 -120.0 40.0 2
;
30 1 31 97 parsed_1lpw 1
stop_
save_
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