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 |
|
|
30500 |
1coc   |
4416 | cing | 2-parsed | STAR | dihedral angle | 22 |
data_1coc_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1coc
_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_1coc 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1coc
_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 1coc "Master copy" parsed_1coc
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1coc
_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 1coc.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1coc 1
1 1coc.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1coc 1
1 1coc.mr . . DISCOVER 3 distance "hydrogen bond" simple 37 parsed_1coc 1
1 1coc.mr . . DISCOVER 4 distance NOE simple 67 parsed_1coc 1
1 1coc.mr . . DISCOVER 5 distance "general distance" simple 14 parsed_1coc 1
1 1coc.mr . . DISCOVER 6 distance NOE simple 309 parsed_1coc 1
1 1coc.mr . . DISCOVER 7 "dihedral angle" "Not applicable" "Not applicable" 22 parsed_1coc 1
1 1coc.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1coc 1
stop_
save_
save_Discover_dihedral_7
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1coc
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 7
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.00 -150.00 . 1 1 G C4' 1 1 G C3' 1 1 G O3' 1 2 C P parsed_1coc 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.00 -150.00 . 1 2 C C4' 1 2 C C3' 1 2 C O3' 1 3 A P parsed_1coc 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.00 -150.00 . 1 3 A C4' 1 3 A C3' 1 3 A O3' 1 4 C P parsed_1coc 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.00 -150.00 . 1 4 C C4' 1 4 C C3' 1 4 C O3' 1 5 G P parsed_1coc 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.00 -150.00 . 1 5 G C4' 1 5 G C3' 1 5 G O3' 1 6 A P parsed_1coc 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.00 -150.00 . 1 6 A C4' 1 6 A C3' 1 6 A O3' 1 7 A P parsed_1coc 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.00 -150.00 . 1 7 A C4' 1 7 A C3' 1 7 A O3' 1 8 T P parsed_1coc 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.00 -150.00 . 1 8 T C4' 1 8 T C3' 1 8 T O3' 1 9 T P parsed_1coc 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.00 -150.00 . 1 9 T C4' 1 9 T C3' 1 9 T O3' 1 10 A P parsed_1coc 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.00 -150.00 . 1 10 A C4' 1 10 A C3' 1 10 A O3' 1 11 A P parsed_1coc 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.00 -150.00 . 1 11 A C4' 1 11 A C3' 1 11 A O3' 1 12 G P parsed_1coc 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.00 -150.00 . 2 1 C C4' 2 1 C C3' 2 1 C O3' 2 2 T P parsed_1coc 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.00 -150.00 . 2 2 T C4' 2 2 T C3' 2 2 T O3' 2 3 T P parsed_1coc 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.00 -150.00 . 2 3 T C4' 2 3 T C3' 2 3 T O3' 2 4 A P parsed_1coc 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.00 -150.00 . 2 4 A C4' 2 4 A C3' 2 4 A O3' 2 5 A P parsed_1coc 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.00 -150.00 . 2 5 A C4' 2 5 A C3' 2 5 A O3' 2 6 T P parsed_1coc 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.00 -150.00 . 2 6 T C4' 2 6 T C3' 2 6 T O3' 2 7 T P parsed_1coc 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.00 -150.00 . 2 7 T C4' 2 7 T C3' 2 7 T O3' 2 8 C P parsed_1coc 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.00 -150.00 . 2 8 C C4' 2 8 C C3' 2 8 C O3' 2 9 G P parsed_1coc 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.00 -150.00 . 2 9 G C4' 2 9 G C3' 2 9 G O3' 2 10 T P parsed_1coc 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.00 -150.00 . 2 10 T C4' 2 10 T C3' 2 10 T O3' 2 11 G P parsed_1coc 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.00 -150.00 . 2 11 G C4' 2 11 G C3' 2 11 G O3' 2 12 C P parsed_1coc 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 NMR_dihedral 1 1 2 1 parsed_1coc 1
stop_
save_
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