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 |
|
|
652735 |
6wqj   |
30748 | cing | 2-parsed | STAR | dihedral angle | 58 |
data_6wqj_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6wqj
_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_6wqj 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6wqj
_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 6wqj "Master copy" parsed_6wqj
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6wqj
_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 6wqj.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6wqj 1
1 6wqj.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 58 parsed_6wqj 1
1 6wqj.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 0 parsed_6wqj 1
1 6wqj.mr . . XPLOR/CNS 4 distance NOE simple 0 parsed_6wqj 1
1 6wqj.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6wqj 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6wqj
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.5 -44.5 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_6wqj 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.9 -11.9 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_6wqj 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.2 -47.2 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_6wqj 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.8 -11.2 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_6wqj 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.5 -48.5 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_6wqj 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.0 -12.0 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_6wqj 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.0 -51.0 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_6wqj 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.6 -14.6 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_6wqj 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.8 -39.8 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_6wqj 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.7 -12.7 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_6wqj 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.4 -51.4 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_6wqj 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -43.4 -3.4 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_6wqj 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.3 -30.3 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_6wqj 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.3 -11.3 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_6wqj 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.3 -44.3 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_6wqj 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.2 -14.2 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_6wqj 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.8 -47.8 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_6wqj 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.8 -11.8 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_6wqj 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.9 -55.9 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_6wqj 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.0 -14.0 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_6wqj 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.0 -110.2 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_6wqj 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 48.8 107.2 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_6wqj 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.3 160.3 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_6wqj 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.4 -43.4 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_6wqj 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.7 -18.7 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_6wqj 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.8 -43.8 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_6wqj 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.5 -19.5 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_6wqj 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.7 -48.7 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_6wqj 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.6 -19.6 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_6wqj 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.4 -47.4 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_6wqj 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.3 -17.3 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_6wqj 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.8 -47.8 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_6wqj 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.5 -16.5 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_6wqj 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.6 -46.6 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_6wqj 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.7 -17.7 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_6wqj 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.6 -45.6 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_6wqj 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.2 -20.2 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_6wqj 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.7 -46.7 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_6wqj 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -20.0 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_6wqj 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.4 -47.4 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_6wqj 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.4 -18.4 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_6wqj 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.8 -44.8 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_6wqj 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.0 -18.0 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_6wqj 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.7 -45.7 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_6wqj 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.6 -15.6 . . 30 . N . 30 . CA . 30 . C . 31 . N parsed_6wqj 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.5 -47.5 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_6wqj 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.5 -17.5 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_6wqj 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.8 -48.8 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_6wqj 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.5 -14.5 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_6wqj 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.3 -50.3 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_6wqj 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.4 0.0 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_6wqj 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 11 . N . 11 . CA . 11 . CB . 11 . SG parsed_6wqj 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 25 . N . 25 . CA . 25 . CB . 25 . SG parsed_6wqj 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 29 . N . 29 . CA . 29 . CB . 29 . SG parsed_6wqj 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -30.0 . . 7 . CA . 7 . CB . 7 . SG . 29 . SG parsed_6wqj 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -30.0 . . 11 . CA . 11 . CB . 11 . SG . 25 . SG parsed_6wqj 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -30.0 . . 25 . CA . 25 . CB . 25 . SG . 11 . SG parsed_6wqj 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 120.0 . . 29 . CA . 29 . CB . 29 . SG . 7 . SG parsed_6wqj 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 "Dihedral restrains from TALOS-N" 2 1 2 33 parsed_6wqj 1
2 "Dihedral CHI1 and CHI2 restraints for CYSS residues from DISH" 55 1 55 63 parsed_6wqj 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "# Restraints file 1: VBP-10_restraints.tbl" 1 1 1 42 parsed_6wqj 1
stop_
save_
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