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 |
|
|
616318 |
5l82   |
34006 | cing | 2-parsed | STAR | dihedral angle | 48 |
data_5l82_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5l82
_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_5l82 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5l82
_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 5l82 "Master copy" parsed_5l82
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5l82
_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 5l82.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5l82 1
1 5l82.mr . . DYANA/DIANA 2 distance NOE simple 561 parsed_5l82 1
1 5l82.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 48 parsed_5l82 1
1 5l82.mr . . DYANA/DIANA 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_5l82 1
1 5l82.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5l82 1
stop_
save_
save_DYANA/DIANA_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5l82
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.7 -49.3 . . 6 ASN . . . . . . . . . . . . . parsed_5l82 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.7 169.4 . . 6 ASN . . . . . . . . . . . . . parsed_5l82 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.4 -58.0 . . 8 THR . . . . . . . . . . . . . parsed_5l82 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.4 -19.8 . . 8 THR . . . . . . . . . . . . . parsed_5l82 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.8 -52.8 . . 9 GLY . . . . . . . . . . . . . parsed_5l82 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.6 -33.6 . . 9 GLY . . . . . . . . . . . . . parsed_5l82 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.4 -55.4 . . 10 THR . . . . . . . . . . . . . parsed_5l82 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.7 -30.7 . . 10 THR . . . . . . . . . . . . . parsed_5l82 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.3 -54.3 . . 11 ILE . . . . . . . . . . . . . parsed_5l82 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.7 -35.7 . . 11 ILE . . . . . . . . . . . . . parsed_5l82 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.0 -54.0 . . 12 VAL . . . . . . . . . . . . . parsed_5l82 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.2 -30.2 . . 12 VAL . . . . . . . . . . . . . parsed_5l82 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.4 -56.4 . . 13 LYS . . . . . . . . . . . . . parsed_5l82 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.5 -27.5 . . 13 LYS . . . . . . . . . . . . . parsed_5l82 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.8 -58.8 . . 14 LYS . . . . . . . . . . . . . parsed_5l82 1
16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.9 -27.9 . . 14 LYS . . . . . . . . . . . . . parsed_5l82 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.4 -53.4 . . 15 LEU . . . . . . . . . . . . . parsed_5l82 1
18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.9 -32.9 . . 15 LEU . . . . . . . . . . . . . parsed_5l82 1
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.7 -54.7 . . 16 THR . . . . . . . . . . . . . parsed_5l82 1
20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.6 -29.6 . . 16 THR . . . . . . . . . . . . . parsed_5l82 1
21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.0 -56.0 . . 17 GLN . . . . . . . . . . . . . parsed_5l82 1
22 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.2 -21.2 . . 17 GLN . . . . . . . . . . . . . parsed_5l82 1
23 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -118.1 -39.9 . . 18 TYR . . . . . . . . . . . . . parsed_5l82 1
24 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.7 25.3 . . 18 TYR . . . . . . . . . . . . . parsed_5l82 1
25 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.9 -52.9 . . 19 GLU . . . . . . . . . . . . . parsed_5l82 1
26 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.1 -29.1 . . 19 GLU . . . . . . . . . . . . . parsed_5l82 1
27 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.6 -53.6 . . 20 ILE . . . . . . . . . . . . . parsed_5l82 1
28 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.9 -34.9 . . 20 ILE . . . . . . . . . . . . . parsed_5l82 1
29 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.3 -54.3 . . 21 ALA . . . . . . . . . . . . . parsed_5l82 1
30 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.3 -30.3 . . 21 ALA . . . . . . . . . . . . . parsed_5l82 1
31 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -52.0 . . 22 TRP . . . . . . . . . . . . . parsed_5l82 1
32 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.4 -35.4 . . 22 TRP . . . . . . . . . . . . . parsed_5l82 1
33 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.9 -55.9 . . 23 PHE . . . . . . . . . . . . . parsed_5l82 1
34 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.2 -30.2 . . 23 PHE . . . . . . . . . . . . . parsed_5l82 1
35 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.1 -55.1 . . 24 LYS . . . . . . . . . . . . . parsed_5l82 1
36 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.8 -28.8 . . 24 LYS . . . . . . . . . . . . . parsed_5l82 1
37 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.5 -56.7 . . 25 ASN . . . . . . . . . . . . . parsed_5l82 1
38 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.1 -9.7 . . 25 ASN . . . . . . . . . . . . . parsed_5l82 1
39 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.7 -55.9 . . 26 LYS . . . . . . . . . . . . . parsed_5l82 1
40 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.7 12.3 . . 26 LYS . . . . . . . . . . . . . parsed_5l82 1
41 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 75.4 98.7 . . 28 GLY . . . . . . . . . . . . . parsed_5l82 1
42 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -15.2 26.9 . . 28 GLY . . . . . . . . . . . . . parsed_5l82 1
43 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.9 -59.3 . . 29 TYR . . . . . . . . . . . . . parsed_5l82 1
44 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 54.8 184.1 . . 29 TYR . . . . . . . . . . . . . parsed_5l82 1
45 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.2 -57.6 . . 32 TRP . . . . . . . . . . . . . parsed_5l82 1
46 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.6 3.5 . . 32 TRP . . . . . . . . . . . . . parsed_5l82 1
47 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.6 -58.6 . . 34 ILE . . . . . . . . . . . . . parsed_5l82 1
48 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.5 148.1 . . 34 ILE . . . . . . . . . . . . . parsed_5l82 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: Ent-K1-talosN.aco" 1 1 1 38 parsed_5l82 1
stop_
save_
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