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 |
|
|
28776 |
149d   |
cing | 2-parsed | STAR | dihedral angle | 13 |
data_149d_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_149d
_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_149d 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_149d
_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 149d "Master copy" parsed_149d
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_149d
_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 149d.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_149d 1
1 149d.mr . . XPLOR/CNS 2 distance NOE simple 226 parsed_149d 1
1 149d.mr . . XPLOR/CNS 3 distance NOE simple 94 parsed_149d 1
1 149d.mr . . XPLOR/CNS 4 distance NOE simple 52 parsed_149d 1
1 149d.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 58 parsed_149d 1
1 149d.mr . . XPLOR/CNS 6 distance "NOE not seen" simple 37 parsed_149d 1
1 149d.mr . . XPLOR/CNS 7 distance "NOE build-up" simple 0 parsed_149d 1
1 149d.mr . . XPLOR/CNS 8 "dihedral angle" "Not applicable" "Not applicable" 13 parsed_149d 1
1 149d.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_149d 1
stop_
save_
save_CNS/XPLOR_dihedral_8
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_149d
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 8
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 170.0 . GTA1 1 . O3' GTA1 1 . C3' GTA1 1 . C4' GTA1 1 . C5' parsed_149d 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 170.0 . GTA1 3 . O3' GTA1 3 . C3' GTA1 3 . C4' GTA1 3 . C5' parsed_149d 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 170.0 . GTA1 4 . O3' GTA1 4 . C3' GTA1 4 . C4' GTA1 4 . C5' parsed_149d 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 170.0 . GTA1 5 . O3' GTA1 5 . C3' GTA1 5 . C4' GTA1 5 . C5' parsed_149d 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 170.0 . GTA2 8 . O3' GTA2 8 . C3' GTA2 8 . C4' GTA2 8 . C5' parsed_149d 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 170.0 . GTA2 9 . O3' GTA2 9 . C3' GTA2 9 . C4' GTA2 9 . C5' parsed_149d 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 170.0 . GTA2 12 . O3' GTA2 12 . C3' GTA2 12 . C4' GTA2 12 . C5' parsed_149d 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 170.0 . GTA2 13 . O3' GTA2 13 . C3' GTA2 13 . C4' GTA2 13 . C5' parsed_149d 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 170.0 . GTA3 16 . O3' GTA3 16 . C3' GTA3 16 . C4' GTA3 16 . C5' parsed_149d 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 170.0 . GTA3 17 . O3' GTA3 17 . C3' GTA3 17 . C4' GTA3 17 . C5' parsed_149d 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70.0 110.0 . GTA3 18 . O3' GTA3 18 . C3' GTA3 18 . C4' GTA3 18 . C5' parsed_149d 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 170.0 . GTA3 19 . O3' GTA3 19 . C3' GTA3 19 . C4' GTA3 19 . C5' parsed_149d 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100.0 170.0 . GTA3 21 . O3' GTA3 21 . C3' GTA3 21 . C4' GTA3 21 . C5' parsed_149d 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
;
TABLE 7
DELTA-TORSION ANGLE RESTRAINTS BASED ON OBSERVED
THROUGH-BOND COUPLINGS
;
1 1 5 7 parsed_149d 1
stop_
save_
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