NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
35244 |
1la8   |
cing | 2-parsed | STAR | dihedral angle | 66 |
data_1la8_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1la8
_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_1la8 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1la8
_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 1la8 "Master copy" parsed_1la8
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1la8
_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 1la8.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1la8 1
1 1la8.mr . . XPLOR/CNS 2 distance NOE simple 129 parsed_1la8 1
1 1la8.mr . . XPLOR/CNS 3 distance NOE simple 77 parsed_1la8 1
1 1la8.mr . . XPLOR/CNS 4 distance NOE simple 63 parsed_1la8 1
1 1la8.mr . . XPLOR/CNS 5 distance NOE simple 39 parsed_1la8 1
1 1la8.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1la8 1
1 1la8.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 33 parsed_1la8 1
1 1la8.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1la8 1
1 1la8.mr . . XPLOR/CNS 9 "dihedral angle" "Not applicable" "Not applicable" 66 parsed_1la8 1
1 1la8.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_1la8 1
1 1la8.mr . . XPLOR/CNS 11 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1la8 1
1 1la8.mr . . n/a 12 comment "Not applicable" "Not applicable" 0 parsed_1la8 1
1 1la8.mr . . "MR format" 13 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1la8 1
stop_
save_
save_CNS/XPLOR_dihedral_9
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1la8
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 9
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.5 2.5 . . 1 . C4' . 1 . O4' . 1 . C1' . 1 . C2' parsed_1la8 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.0 40.0 . . 1 . O4' . 1 . C1' . 1 . C2' . 1 . C3' parsed_1la8 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -32.5 . . 1 . C1' . 1 . C2' . 1 . C3' . 1 . C4' parsed_1la8 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12.0 39.0 . . 1 . C2' . 1 . C3' . 1 . C4' . 1 . O4' parsed_1la8 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -26.0 12.0 . . 1 . C3' . 1 . C4' . 1 . O4' . 1 . C1' parsed_1la8 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.0 -6.0 . . 2 . C4' . 2 . O4' . 2 . C1' . 2 . C2' parsed_1la8 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 28.0 40.0 . . 2 . O4' . 2 . C1' . 2 . C2' . 2 . C3' parsed_1la8 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.5 -33.5 . . 2 . C1' . 2 . C2' . 2 . C3' . 2 . C4' parsed_1la8 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 13.0 36.0 . . 2 . C2' . 2 . C3' . 2 . C4' . 2 . O4' parsed_1la8 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -18.0 12.0 . . 2 . C3' . 2 . C4' . 2 . O4' . 2 . C1' parsed_1la8 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.5 -1.5 . . 3 . C4' . 3 . O4' . 3 . C1' . 3 . C2' parsed_1la8 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 40.0 . . 3 . O4' . 3 . C1' . 3 . C2' . 3 . C3' parsed_1la8 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.0 -28.0 . . 3 . C1' . 3 . C2' . 3 . C3' . 3 . C4' parsed_1la8 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6.0 38.0 . . 3 . C2' . 3 . C3' . 3 . C4' . 3 . O4' parsed_1la8 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -22.0 18.0 . . 3 . C3' . 3 . C4' . 3 . O4' . 3 . C1' parsed_1la8 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -34.0 32.0 . . 4 . C4' . 4 . O4' . 4 . C1' . 4 . C2' parsed_1la8 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -11.0 40.0 . . 4 . O4' . 4 . C1' . 4 . C2' . 4 . C3' parsed_1la8 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -31.5 -14.5 . . 4 . C1' . 4 . C2' . 4 . C3' . 4 . C4' parsed_1la8 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 33.0 . . 4 . C2' . 4 . C3' . 4 . C4' . 4 . O4' parsed_1la8 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.5 14.5 . . 4 . C3' . 4 . C4' . 4 . O4' . 4 . C1' parsed_1la8 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.0 34.0 . . 5 . C4' . 5 . O4' . 5 . C1' . 5 . C2' parsed_1la8 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -14.0 40.0 . . 5 . O4' . 5 . C1' . 5 . C2' . 5 . C3' parsed_1la8 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.0 -10.0 . . 5 . C1' . 5 . C2' . 5 . C3' . 5 . C4' parsed_1la8 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6.0 31.0 . . 5 . C2' . 5 . C3' . 5 . C4' . 5 . O4' parsed_1la8 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 18.0 . . 5 . C3' . 5 . C4' . 5 . O4' . 5 . C1' parsed_1la8 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -34.5 -1.5 . . 6 . C4' . 6 . O4' . 6 . C1' . 6 . C2' parsed_1la8 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.0 40.0 . . 6 . O4' . 6 . C1' . 6 . C2' . 6 . C3' parsed_1la8 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.5 -31.5 . . 6 . C1' . 6 . C2' . 6 . C3' . 6 . C4' parsed_1la8 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 38.0 . . 6 . C2' . 6 . C3' . 6 . C4' . 6 . O4' parsed_1la8 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -22.0 15.0 . . 6 . C3' . 6 . C4' . 6 . O4' . 6 . C1' parsed_1la8 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -34.5 0.5 . . 7 . C4' . 7 . O4' . 7 . C1' . 7 . C2' parsed_1la8 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22.0 40.0 . . 7 . O4' . 7 . C1' . 7 . C2' . 7 . C3' parsed_1la8 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.5 -31.5 . . 7 . C1' . 7 . C2' . 7 . C3' . 7 . C4' parsed_1la8 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 38.0 . . 7 . C2' . 7 . C3' . 7 . C4' . 7 . O4' parsed_1la8 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -25.0 15.0 . . 7 . C3' . 7 . C4' . 7 . O4' . 7 . C1' parsed_1la8 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -34.0 0.0 . . 8 . C4' . 8 . O4' . 8 . C1' . 8 . C2' parsed_1la8 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24.0 40.0 . . 8 . O4' . 8 . C1' . 8 . C2' . 8 . C3' parsed_1la8 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.5 -31.5 . . 8 . C1' . 8 . C2' . 8 . C3' . 8 . C4' parsed_1la8 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10.0 38.0 . . 8 . C2' . 8 . C3' . 8 . C4' . 8 . O4' parsed_1la8 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -24.0 15.0 . . 8 . C3' . 8 . C4' . 8 . O4' . 8 . C1' parsed_1la8 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.0 0.0 . . 9 . C4' . 9 . O4' . 9 . C1' . 9 . C2' parsed_1la8 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24.0 40.0 . . 9 . O4' . 9 . C1' . 9 . C2' . 9 . C3' parsed_1la8 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.0 -32.0 . . 9 . C1' . 9 . C2' . 9 . C3' . 9 . C4' parsed_1la8 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12.0 38.0 . . 9 . C2' . 9 . C3' . 9 . C4' . 9 . O4' parsed_1la8 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -24.0 12.0 . . 9 . C3' . 9 . C4' . 9 . O4' . 9 . C1' parsed_1la8 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -35.0 -3.0 . . 10 . C4' . 10 . O4' . 10 . C1' . 10 . C2' parsed_1la8 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26.0 40.0 . . 10 . O4' . 10 . C1' . 10 . C2' . 10 . C3' parsed_1la8 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.5 -30.5 . . 10 . C1' . 10 . C2' . 10 . C3' . 10 . C4' parsed_1la8 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8.0 37.0 . . 10 . C2' . 10 . C3' . 10 . C4' . 10 . O4' parsed_1la8 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -21.0 16.0 . . 10 . C3' . 10 . C4' . 10 . O4' . 10 . C1' parsed_1la8 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.0 -6.0 . . 11 . C4' . 11 . O4' . 11 . C1' . 11 . C2' parsed_1la8 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 28.0 40.0 . . 11 . O4' . 11 . C1' . 11 . C2' . 11 . C3' parsed_1la8 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 -32.0 . . 11 . C1' . 11 . C2' . 11 . C3' . 11 . C4' parsed_1la8 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12.0 36.0 . . 11 . C2' . 11 . C3' . 11 . C4' . 11 . O4' parsed_1la8 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -18.0 12.0 . . 11 . C3' . 11 . C4' . 11 . O4' . 11 . C1' parsed_1la8 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.5 2.5 . . 12 . C4' . 12 . O4' . 12 . C1' . 12 . C2' parsed_1la8 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.0 40.0 . . 12 . O4' . 12 . C1' . 12 . C2' . 12 . C3' parsed_1la8 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.0 -35.0 . . 12 . C1' . 12 . C2' . 12 . C3' . 12 . C4' parsed_1la8 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 16.0 39.0 . . 12 . C2' . 12 . C3' . 12 . C4' . 12 . O4' parsed_1la8 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -26.0 8.0 . . 12 . C3' . 12 . C4' . 12 . O4' . 12 . C1' parsed_1la8 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 6.0 . . 13 . C4' . 13 . O4' . 13 . C1' . 13 . C2' parsed_1la8 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19.0 40.0 . . 13 . O4' . 13 . C1' . 13 . C2' . 13 . C3' parsed_1la8 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.5 -35.5 . . 13 . C1' . 13 . C2' . 13 . C3' . 13 . C4' parsed_1la8 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 16.0 39.0 . . 13 . C2' . 13 . C3' . 13 . C4' . 13 . O4' parsed_1la8 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.0 8.0 . . 13 . C3' . 13 . C4' . 13 . O4' . 13 . C1' parsed_1la8 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -130.0 -110.0 . . 9 . O4' . 9 . C1' . 9 . N1 . 9 . C2 parsed_1la8 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 "chi angle" 132 1 132 12 parsed_1la8 1
stop_
save_
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