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 |
|
|
641496 |
6gig   |
34271 | cing | 2-parsed | STAR | dihedral angle | 42 |
data_6gig_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6gig
_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_6gig 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6gig
_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 6gig "Master copy" parsed_6gig
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6gig
_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 6gig.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6gig 1
1 6gig.mr . . DYANA/DIANA 2 distance NOE simple 227 parsed_6gig 1
1 6gig.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 42 parsed_6gig 1
1 6gig.mr . . DYANA/DIANA 4 distance NOE simple 0 parsed_6gig 1
1 6gig.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6gig 1
stop_
save_
save_DYANA/DIANA_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6gig
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_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 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.9 -42.9 . . 9 SER . . . . . . . . . . . . . parsed_6gig 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.7 -20.7 . . 9 SER . . . . . . . . . . . . . parsed_6gig 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.5 -37.9 . . 10 TRP . . . . . . . . . . . . . parsed_6gig 1
4 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.6 -41.6 . . 11 LYS+ . . . . . . . . . . . . . parsed_6gig 1
5 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.2 -2.0 . . 10 TRP . . . . . . . . . . . . . parsed_6gig 1
6 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.4 -48.0 . . 12 THR . . . . . . . . . . . . . parsed_6gig 1
7 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.7 -10.5 . . 11 LYS+ . . . . . . . . . . . . . parsed_6gig 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.6 4.0 . . 12 THR . . . . . . . . . . . . . parsed_6gig 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.4 -42.4 . . 13 LEU . . . . . . . . . . . . . parsed_6gig 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.2 1.8 . . 13 LEU . . . . . . . . . . . . . parsed_6gig 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.5 -44.1 . . 14 TYR . . . . . . . . . . . . . parsed_6gig 1
12 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.6 -46.6 . . 15 LEU . . . . . . . . . . . . . parsed_6gig 1
13 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.5 -20.5 . . 14 TYR . . . . . . . . . . . . . parsed_6gig 1
14 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.7 -44.7 . . 16 LYS+ . . . . . . . . . . . . . parsed_6gig 1
15 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.5 -21.5 . . 15 LEU . . . . . . . . . . . . . parsed_6gig 1
16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.0 -21.0 . . 16 LYS+ . . . . . . . . . . . . . parsed_6gig 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -47.0 . . 17 ILE . . . . . . . . . . . . . parsed_6gig 1
18 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.9 -43.9 . . 18 SER . . . . . . . . . . . . . parsed_6gig 1
19 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.6 -16.6 . . 17 ILE . . . . . . . . . . . . . parsed_6gig 1
20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.1 -22.1 . . 18 SER . . . . . . . . . . . . . parsed_6gig 1
21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.4 -45.4 . . 19 PHE . . . . . . . . . . . . . parsed_6gig 1
22 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.4 -23.4 . . 19 PHE . . . . . . . . . . . . . parsed_6gig 1
23 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.2 -43.2 . . 20 LEU . . . . . . . . . . . . . parsed_6gig 1
24 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.0 -44.0 . . 21 GLY . . . . . . . . . . . . . parsed_6gig 1
25 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.8 -22.8 . . 20 LEU . . . . . . . . . . . . . parsed_6gig 1
26 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.6 -10.6 . . 21 GLY . . . . . . . . . . . . . parsed_6gig 1
27 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.5 -46.3 . . 22 CYS . . . . . . . . . . . . . parsed_6gig 1
28 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.5 -44.5 . . 23 LYS+ . . . . . . . . . . . . . parsed_6gig 1
29 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.7 -10.1 . . 22 CYS . . . . . . . . . . . . . parsed_6gig 1
30 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.0 -11.8 . . 23 LYS+ . . . . . . . . . . . . . parsed_6gig 1
31 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.2 -46.2 . . 24 VAL . . . . . . . . . . . . . parsed_6gig 1
32 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.4 -15.4 . . 24 VAL . . . . . . . . . . . . . parsed_6gig 1
33 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.5 -43.9 . . 25 VAL . . . . . . . . . . . . . parsed_6gig 1
34 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.0 -20.0 . . 25 VAL . . . . . . . . . . . . . parsed_6gig 1
35 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.2 -37.2 . . 26 VAL . . . . . . . . . . . . . parsed_6gig 1
36 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.0 -17.0 . . 26 VAL . . . . . . . . . . . . . parsed_6gig 1
37 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -108.8 -34.6 . . 27 LEU . . . . . . . . . . . . . parsed_6gig 1
38 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.0 -4.2 . . 27 LEU . . . . . . . . . . . . . parsed_6gig 1
39 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.8 -36.8 . . 28 LEU . . . . . . . . . . . . . parsed_6gig 1
40 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.4 -0.2 . . 28 LEU . . . . . . . . . . . . . parsed_6gig 1
41 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.3 -10.9 . . 29 LYS+ . . . . . . . . . . . . . parsed_6gig 1
42 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.2 -41.6 . . 29 LYS+ . . . . . . . . . . . . . parsed_6gig 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 "Restraints file 2: A1dihedral" 1 1 1 31 parsed_6gig 1
stop_
save_
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