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 |
|
|
635872 |
6ith   |
cing | 2-parsed | STAR | dihedral angle | 60 |
data_6ith_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6ith
_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_6ith 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6ith
_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 6ith "Master copy" parsed_6ith
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6ith
_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 6ith.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6ith 1
1 6ith.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 60 parsed_6ith 1
1 6ith.mr . . DYANA/DIANA 3 distance "hydrogen bond" simple 0 parsed_6ith 1
1 6ith.mr . . DYANA/DIANA 4 distance NOE simple 0 parsed_6ith 1
1 6ith.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6ith 1
stop_
save_
save_DYANA/DIANA_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6ith
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.4 4.9 . . 5 THR . . . . . . . . . . . . . parsed_6ith 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -41.0 5.0 . . 5 THR . . . . . . . . . . . . . parsed_6ith 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.7 4.9 . . 6 GLU . . . . . . . . . . . . . parsed_6ith 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.9 4.1 . . 6 GLU . . . . . . . . . . . . . parsed_6ith 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.2 5.9 . . 7 VAL . . . . . . . . . . . . . parsed_6ith 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -43.2 3.1 . . 7 VAL . . . . . . . . . . . . . parsed_6ith 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.2 8.6 . . 8 LEU . . . . . . . . . . . . . parsed_6ith 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -41.6 8.7 . . 8 LEU . . . . . . . . . . . . . parsed_6ith 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.6 5.9 . . 9 ALA . . . . . . . . . . . . . parsed_6ith 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.7 6.7 . . 9 ALA . . . . . . . . . . . . . parsed_6ith 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.9 5.0 . . 10 ALA . . . . . . . . . . . . . parsed_6ith 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.9 4.9 . . 10 ALA . . . . . . . . . . . . . parsed_6ith 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.4 6.6 . . 11 VAL . . . . . . . . . . . . . parsed_6ith 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.7 12.7 . . 11 VAL . . . . . . . . . . . . . parsed_6ith 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.9 5.1 . . 12 ILE . . . . . . . . . . . . . parsed_6ith 1
16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.5 5.8 . . 12 ILE . . . . . . . . . . . . . parsed_6ith 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.1 7.3 . . 13 ALA . . . . . . . . . . . . . parsed_6ith 1
18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.4 6.3 . . 13 ALA . . . . . . . . . . . . . parsed_6ith 1
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.8 4.8 . . 14 GLY . . . . . . . . . . . . . parsed_6ith 1
20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.8 4.5 . . 14 GLY . . . . . . . . . . . . . parsed_6ith 1
21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.1 9.1 . . 15 GLY . . . . . . . . . . . . . parsed_6ith 1
22 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.1 19.9 . . 15 GLY . . . . . . . . . . . . . parsed_6ith 1
23 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.7 3.4 . . 16 VAL . . . . . . . . . . . . . parsed_6ith 1
24 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.8 6.6 . . 16 VAL . . . . . . . . . . . . . parsed_6ith 1
25 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.5 4.8 . . 17 ILE . . . . . . . . . . . . . parsed_6ith 1
26 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -43.8 9.1 . . 17 ILE . . . . . . . . . . . . . parsed_6ith 1
27 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.3 4.5 . . 18 GLY . . . . . . . . . . . . . parsed_6ith 1
28 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -41.0 4.9 . . 18 GLY . . . . . . . . . . . . . parsed_6ith 1
29 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.2 5.5 . . 19 PHE . . . . . . . . . . . . . parsed_6ith 1
30 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.8 5.7 . . 19 PHE . . . . . . . . . . . . . parsed_6ith 1
31 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.5 3.2 . . 20 LEU . . . . . . . . . . . . . parsed_6ith 1
32 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.8 11.1 . . 20 LEU . . . . . . . . . . . . . parsed_6ith 1
33 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.7 5.6 . . 21 PHE . . . . . . . . . . . . . parsed_6ith 1
34 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -41.7 6.2 . . 21 PHE . . . . . . . . . . . . . parsed_6ith 1
35 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.6 4.1 . . 22 ALA . . . . . . . . . . . . . parsed_6ith 1
36 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.2 5.1 . . 22 ALA . . . . . . . . . . . . . parsed_6ith 1
37 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.2 8.5 . . 23 ILE . . . . . . . . . . . . . parsed_6ith 1
38 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.5 9.3 . . 23 ILE . . . . . . . . . . . . . parsed_6ith 1
39 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.8 6.1 . . 24 PHE . . . . . . . . . . . . . parsed_6ith 1
40 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.0 8.6 . . 24 PHE . . . . . . . . . . . . . parsed_6ith 1
41 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.9 10.9 . . 25 LEU . . . . . . . . . . . . . parsed_6ith 1
42 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.1 8.9 . . 25 LEU . . . . . . . . . . . . . parsed_6ith 1
43 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.2 4.0 . . 26 ILE . . . . . . . . . . . . . parsed_6ith 1
44 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -43.1 6.1 . . 26 ILE . . . . . . . . . . . . . parsed_6ith 1
45 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.3 2.7 . . 27 LEU . . . . . . . . . . . . . parsed_6ith 1
46 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.6 5.6 . . 27 LEU . . . . . . . . . . . . . parsed_6ith 1
47 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.4 5.1 . . 28 LEU . . . . . . . . . . . . . parsed_6ith 1
48 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.2 6.5 . . 28 LEU . . . . . . . . . . . . . parsed_6ith 1
49 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.7 5.1 . . 29 LEU . . . . . . . . . . . . . parsed_6ith 1
50 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.0 7.8 . . 29 LEU . . . . . . . . . . . . . parsed_6ith 1
51 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.0 3.6 . . 30 VAL . . . . . . . . . . . . . parsed_6ith 1
52 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.0 3.1 . . 30 VAL . . . . . . . . . . . . . parsed_6ith 1
53 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.3 5.9 . . 32 ARG . . . . . . . . . . . . . parsed_6ith 1
54 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -41.6 3.5 . . 32 ARG . . . . . . . . . . . . . parsed_6ith 1
55 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.2 7.9 . . 33 MET . . . . . . . . . . . . . parsed_6ith 1
56 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.2 13.4 . . 33 MET . . . . . . . . . . . . . parsed_6ith 1
57 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.2 13.8 . . 34 ARG . . . . . . . . . . . . . parsed_6ith 1
58 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -31.6 18.7 . . 34 ARG . . . . . . . . . . . . . parsed_6ith 1
59 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.3 11.1 . . 35 LYS . . . . . . . . . . . . . parsed_6ith 1
60 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -26.6 18.4 . . 35 LYS . . . . . . . . . . . . . parsed_6ith 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 1: demo.aco" 1 1 1 29 parsed_6ith 1
stop_
save_
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