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 |
|
|
585643 |
2mub   |
25205 | cing | 2-parsed | STAR | dihedral angle | 64 |
data_2mub_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mub
_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_2mub 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mub
_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 2mub "Master copy" parsed_2mub
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mub
_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 2mub.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mub 1
1 2mub.mr . . DYANA/DIANA 2 distance NOE simple 569 parsed_2mub 1
1 2mub.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 64 parsed_2mub 1
1 2mub.mr . . DYANA/DIANA 4 distance "hydrogen bond" simple 0 parsed_2mub 1
1 2mub.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mub 1
stop_
save_
save_DYANA/DIANA_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2mub
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 2 THR . . . . . . . . . . . . . parsed_2mub 1
2 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 3 ALA . . . . . . . . . . . . . parsed_2mub 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 4 CYSS . . . . . . . . . . . . . parsed_2mub 1
4 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 5 SER . . . . . . . . . . . . . parsed_2mub 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 6 CYSS . . . . . . . . . . . . . parsed_2mub 1
6 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 8 ASN . . . . . . . . . . . . . parsed_2mub 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 9 SER . . . . . . . . . . . . . parsed_2mub 1
8 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 10 LYS . . . . . . . . . . . . . parsed_2mub 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 14 TRP . . . . . . . . . . . . . parsed_2mub 1
10 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 16 TYR . . . . . . . . . . . . . parsed_2mub 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 17 ARG . . . . . . . . . . . . . parsed_2mub 1
12 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 19 SER . . . . . . . . . . . . . parsed_2mub 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 22 THR . . . . . . . . . . . . . parsed_2mub 1
14 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 24 ARG . . . . . . . . . . . . . parsed_2mub 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 27 THR . . . . . . . . . . . . . parsed_2mub 1
16 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 29 SER . . . . . . . . . . . . . parsed_2mub 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 32 TYR . . . . . . . . . . . . . parsed_2mub 1
18 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 34 LEU . . . . . . . . . . . . . parsed_2mub 1
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 37 CYSS . . . . . . . . . . . . . parsed_2mub 1
20 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 38 CYSS . . . . . . . . . . . . . parsed_2mub 1
21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 39 THR . . . . . . . . . . . . . parsed_2mub 1
22 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 4 CYSS . . . . . . . . . . . . . parsed_2mub 1
23 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 30.0 . . 6 CYSS . . . . . . . . . . . . . parsed_2mub 1
24 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -150.0 . . 9 SER . . . . . . . . . . . . . parsed_2mub 1
25 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 14 TRP . . . . . . . . . . . . . parsed_2mub 1
26 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 16 TYR . . . . . . . . . . . . . parsed_2mub 1
27 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 24 ARG . . . . . . . . . . . . . parsed_2mub 1
28 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 26 TYR . . . . . . . . . . . . . parsed_2mub 1
29 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 30 CYSS . . . . . . . . . . . . . parsed_2mub 1
30 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -150.0 . . 32 TYR . . . . . . . . . . . . . parsed_2mub 1
31 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 34 LEU . . . . . . . . . . . . . parsed_2mub 1
32 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 -150.0 . . 37 CYSS . . . . . . . . . . . . . parsed_2mub 1
33 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 38 CYSS . . . . . . . . . . . . . parsed_2mub 1
34 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.4 -89.8 . . 4 CYSS . . . . . . . . . . . . . parsed_2mub 1
35 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.5 170.4 . . 4 CYSS . . . . . . . . . . . . . parsed_2mub 1
36 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.3 -74.0 . . 5 SER . . . . . . . . . . . . . parsed_2mub 1
37 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.1 169.2 . . 5 SER . . . . . . . . . . . . . parsed_2mub 1
38 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -108.0 -40.0 . . 15 PHE . . . . . . . . . . . . . parsed_2mub 1
39 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.5 -76.1 . . 17 ARG . . . . . . . . . . . . . parsed_2mub 1
40 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 58.7 193.0 . . 17 ARG . . . . . . . . . . . . . parsed_2mub 1
41 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -173.2 -62.8 . . 19 SER . . . . . . . . . . . . . parsed_2mub 1
42 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 91.1 174.9 . . 19 SER . . . . . . . . . . . . . parsed_2mub 1
43 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.1 -26.0 . . 20 CYSS . . . . . . . . . . . . . parsed_2mub 1
44 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 71.5 198.0 . . 20 CYSS . . . . . . . . . . . . . parsed_2mub 1
45 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 141.6 167.6 . . 21 PRO . . . . . . . . . . . . . parsed_2mub 1
46 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.9 -55.2 . . 23 ASP . . . . . . . . . . . . . parsed_2mub 1
47 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.3 52.4 . . 23 ASP . . . . . . . . . . . . . parsed_2mub 1
48 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.8 -61.4 . . 24 ARG . . . . . . . . . . . . . parsed_2mub 1
49 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 88.7 194.4 . . 24 ARG . . . . . . . . . . . . . parsed_2mub 1
50 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -108.7 -66.8 . . 26 TYR . . . . . . . . . . . . . parsed_2mub 1
51 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.0 166.2 . . 26 TYR . . . . . . . . . . . . . parsed_2mub 1
52 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -176.3 -86.6 . . 27 THR . . . . . . . . . . . . . parsed_2mub 1
53 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.6 -107.5 . . 29 SER . . . . . . . . . . . . . parsed_2mub 1
54 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.3 177.9 . . 29 SER . . . . . . . . . . . . . parsed_2mub 1
55 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.6 -60.6 . . 30 CYSS . . . . . . . . . . . . . parsed_2mub 1
56 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 79.7 155.7 . . 30 CYSS . . . . . . . . . . . . . parsed_2mub 1
57 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.2 -83.1 . . 32 TYR . . . . . . . . . . . . . parsed_2mub 1
58 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.0 188.9 . . 32 TYR . . . . . . . . . . . . . parsed_2mub 1
59 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.4 -55.6 . . 33 PHE . . . . . . . . . . . . . parsed_2mub 1
60 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.8 -58.9 . . 38 CYSS . . . . . . . . . . . . . parsed_2mub 1
61 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.1 173.4 . . 38 CYSS . . . . . . . . . . . . . parsed_2mub 1
62 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.4 -52.1 . . 39 THR . . . . . . . . . . . . . parsed_2mub 1
63 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.0 178.9 . . 40 PRO . . . . . . . . . . . . . parsed_2mub 1
64 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.0 -47.0 . . 41 ALA . . . . . . . . . . . . . parsed_2mub 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 "PHI ANGLES from coupling constants" 1 1 1 35 parsed_2mub 1
2 "Chi angles" 25 1 25 11 parsed_2mub 1
3 "talos angles" 39 1 39 13 parsed_2mub 1
4 "21 PRO PHI -79.7 -55.0 1.00 #" 51 1 51 41 parsed_2mub 1
5 "40 PRO PHI -78.0 -44.9 1.00 #" 70 1 70 41 parsed_2mub 1
stop_
save_
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