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 |
|
|
623048 |
5nwu   |
34132 | cing | 2-parsed | STAR | dihedral angle | 60 |
data_5nwu_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5nwu
_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_5nwu 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5nwu
_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 5nwu "Master copy" parsed_5nwu
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5nwu
_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 5nwu.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5nwu 1
1 5nwu.mr . . DYANA/DIANA 2 distance NOE simple 277 parsed_5nwu 1
1 5nwu.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 60 parsed_5nwu 1
1 5nwu.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5nwu 1
stop_
save_
save_DYANA/DIANA_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5nwu
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.7 -35.1 . . 2 ILE . . . . . . . . . . . . . parsed_5nwu 1
2 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.7 -38.1 . . 3 GLY . . . . . . . . . . . . . parsed_5nwu 1
3 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.2 18.0 . . 3 GLY . . . . . . . . . . . . . parsed_5nwu 1
4 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.7 -44.5 . . 4 ALA . . . . . . . . . . . . . parsed_5nwu 1
5 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.2 -4.6 . . 4 ALA . . . . . . . . . . . . . parsed_5nwu 1
6 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.2 -47.5 . . 5 LEU . . . . . . . . . . . . . parsed_5nwu 1
7 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.9 -28.6 . . 5 LEU . . . . . . . . . . . . . parsed_5nwu 1
8 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.6 -44.5 . . 6 PHE . . . . . . . . . . . . . parsed_5nwu 1
9 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.4 -31.3 . . 6 PHE . . . . . . . . . . . . . parsed_5nwu 1
10 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.8 -51.8 . . 7 LEU . . . . . . . . . . . . . parsed_5nwu 1
11 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.6 -29.6 . . 7 LEU . . . . . . . . . . . . . parsed_5nwu 1
12 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.7 -48.1 . . 8 GLY . . . . . . . . . . . . . parsed_5nwu 1
13 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.1 -22.1 . . 8 GLY . . . . . . . . . . . . . parsed_5nwu 1
14 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.7 -47.7 . . 9 PHE . . . . . . . . . . . . . parsed_5nwu 1
15 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.9 -26.7 . . 9 PHE . . . . . . . . . . . . . parsed_5nwu 1
16 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.6 -53.1 . . 10 LEU . . . . . . . . . . . . . parsed_5nwu 1
17 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.9 -23.1 . . 10 LEU . . . . . . . . . . . . . parsed_5nwu 1
18 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.5 -47.9 . . 11 GLY . . . . . . . . . . . . . parsed_5nwu 1
19 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.1 -19.8 . . 11 GLY . . . . . . . . . . . . . parsed_5nwu 1
20 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.9 -52.2 . . 12 ALA . . . . . . . . . . . . . parsed_5nwu 1
21 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.7 -32.6 . . 12 ALA . . . . . . . . . . . . . parsed_5nwu 1
22 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.0 -54.0 . . 13 ALA . . . . . . . . . . . . . parsed_5nwu 1
23 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.3 -23.3 . . 13 ALA . . . . . . . . . . . . . parsed_5nwu 1
24 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.6 -48.5 . . 14 GLY . . . . . . . . . . . . . parsed_5nwu 1
25 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.1 -15.1 . . 14 GLY . . . . . . . . . . . . . parsed_5nwu 1
26 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.7 -47.9 . . 15 SER . . . . . . . . . . . . . parsed_5nwu 1
27 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.8 -10.5 . . 15 SER . . . . . . . . . . . . . parsed_5nwu 1
28 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.4 -45.0 . . 16 LYS . . . . . . . . . . . . . parsed_5nwu 1
29 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.3 10.5 . . 16 LYS . . . . . . . . . . . . . parsed_5nwu 1
30 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111.1 -43.0 . . 17 LYS . . . . . . . . . . . . . parsed_5nwu 1
31 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.2 -50.6 . . 19 LYS . . . . . . . . . . . . . parsed_5nwu 1
32 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -188.1 -30.7 . . 20 ASN . . . . . . . . . . . . . parsed_5nwu 1
33 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.9 -54.9 . . 21 GLU . . . . . . . . . . . . . parsed_5nwu 1
34 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.6 -26.5 . . 21 GLU . . . . . . . . . . . . . parsed_5nwu 1
35 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.7 -50.6 . . 22 GLN . . . . . . . . . . . . . parsed_5nwu 1
36 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.3 -31.1 . . 22 GLN . . . . . . . . . . . . . parsed_5nwu 1
37 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.9 -53.5 . . 23 GLU . . . . . . . . . . . . . parsed_5nwu 1
38 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.2 -30.5 . . 23 GLU . . . . . . . . . . . . . parsed_5nwu 1
39 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.7 -53.3 . . 24 LEU . . . . . . . . . . . . . parsed_5nwu 1
40 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.3 -30.3 . . 24 LEU . . . . . . . . . . . . . parsed_5nwu 1
41 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.6 -53.6 . . 25 LEU . . . . . . . . . . . . . parsed_5nwu 1
42 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.9 -26.4 . . 25 LEU . . . . . . . . . . . . . parsed_5nwu 1
43 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.6 -54.6 . . 26 GLU . . . . . . . . . . . . . parsed_5nwu 1
44 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.2 -31.6 . . 26 GLU . . . . . . . . . . . . . parsed_5nwu 1
45 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.4 -52.4 . . 27 LEU . . . . . . . . . . . . . parsed_5nwu 1
46 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.0 -31.0 . . 27 LEU . . . . . . . . . . . . . parsed_5nwu 1
47 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.9 -56.0 . . 28 ASP . . . . . . . . . . . . . parsed_5nwu 1
48 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.6 -15.3 . . 28 ASP . . . . . . . . . . . . . parsed_5nwu 1
49 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.8 -54.8 . . 29 LYS . . . . . . . . . . . . . parsed_5nwu 1
50 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.2 -29.2 . . 29 LYS . . . . . . . . . . . . . parsed_5nwu 1
51 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.6 -51.7 . . 30 TRP . . . . . . . . . . . . . parsed_5nwu 1
52 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.7 -18.1 . . 30 TRP . . . . . . . . . . . . . parsed_5nwu 1
53 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.4 -50.4 . . 31 ALA . . . . . . . . . . . . . parsed_5nwu 1
54 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.5 -28.5 . . 31 ALA . . . . . . . . . . . . . parsed_5nwu 1
55 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -52.6 . . 32 SER . . . . . . . . . . . . . parsed_5nwu 1
56 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.5 -32.5 . . 32 SER . . . . . . . . . . . . . parsed_5nwu 1
57 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.1 -52.8 . . 33 LEU . . . . . . . . . . . . . parsed_5nwu 1
58 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.4 -18.6 . . 33 LEU . . . . . . . . . . . . . parsed_5nwu 1
59 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.3 -48.8 . . 34 TRP . . . . . . . . . . . . . parsed_5nwu 1
60 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.8 28.9 . . 34 TRP . . . . . . . . . . . . . parsed_5nwu 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: Hyb25hfiptalos.aco" 1 1 1 39 parsed_5nwu 1
stop_
save_
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