NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
39676 |
1tns   |
cing | 2-parsed | STAR | dihedral angle | 74 |
data_1tns_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1tns
_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_1tns 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1tns
_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 1tns "Master copy" parsed_1tns
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1tns
_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 1tns.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1tns 1
1 1tns.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1tns 1
1 1tns.mr . . XPLOR/CNS 3 distance NOE simple 1192 parsed_1tns 1
1 1tns.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 18 parsed_1tns 1
1 1tns.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1tns 1
1 1tns.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 74 parsed_1tns 1
1 1tns.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1tns 1
1 1tns.mr . . XPLOR/CNS 8 "coupling constant" "Not applicable" "Not applicable" 0 parsed_1tns 1
1 1tns.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1tns 1
stop_
save_
save_CNS/XPLOR_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1tns
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 6
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_1tns 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.0 -125.0 . . 4 . c . 5 . n . 5 . ca . 5 . c parsed_1tns 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -50.0 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_1tns 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -75.0 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_1tns 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -75.0 . . 9 . c . 10 . n . 10 . ca . 10 . c parsed_1tns 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.0 -43.0 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_1tns 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.0 -143.0 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_1tns 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -70.0 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_1tns 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -85.0 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_1tns 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -105.0 . . 18 . c . 19 . n . 19 . ca . 19 . c parsed_1tns 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.0 -45.0 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_1tns 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.0 -45.0 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_1tns 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -57.0 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_1tns 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -15.0 . . 23 . c . 24 . n . 24 . ca . 24 . c parsed_1tns 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -50.0 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_1tns 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -15.0 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_1tns 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -15.0 . . 26 . c . 27 . n . 27 . ca . 27 . c parsed_1tns 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -60.0 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_1tns 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -55.0 . . 28 . c . 29 . n . 29 . ca . 29 . c parsed_1tns 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -140.0 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_1tns 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -5.0 . . 31 . c . 32 . n . 32 . ca . 32 . c parsed_1tns 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -5.0 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_1tns 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -90.0 . . 33 . c . 34 . n . 34 . ca . 34 . c parsed_1tns 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.0 -78.0 . . 34 . c . 35 . n . 35 . ca . 35 . c parsed_1tns 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -85.0 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_1tns 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -30.0 . . 36 . c . 37 . n . 37 . ca . 37 . c parsed_1tns 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -80.0 . . 44 . c . 45 . n . 45 . ca . 45 . c parsed_1tns 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 -105.0 . . 47 . c . 48 . n . 48 . ca . 48 . c parsed_1tns 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.0 -68.0 . . 48 . c . 49 . n . 49 . ca . 49 . c parsed_1tns 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.0 -45.0 . . 49 . c . 50 . n . 50 . ca . 50 . c parsed_1tns 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -60.0 . . 50 . c . 51 . n . 51 . ca . 51 . c parsed_1tns 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -80.0 . . 51 . c . 52 . n . 52 . ca . 52 . c parsed_1tns 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -57.0 . . 52 . c . 53 . n . 53 . ca . 53 . c parsed_1tns 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -50.0 . . 55 . c . 56 . n . 56 . ca . 56 . c parsed_1tns 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -70.0 . . 56 . c . 57 . n . 57 . ca . 57 . c parsed_1tns 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -15.0 . . 57 . c . 58 . n . 58 . ca . 58 . c parsed_1tns 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.0 -58.0 . . 59 . c . 60 . n . 60 . ca . 60 . c parsed_1tns 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -52.0 . . 60 . c . 61 . n . 61 . ca . 61 . c parsed_1tns 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.0 -58.0 . . 62 . c . 63 . n . 63 . ca . 63 . c parsed_1tns 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -65.0 . . 63 . c . 64 . n . 64 . ca . 64 . c parsed_1tns 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 5 . n . 5 . ca . 5 . cb . 5 . cg1 parsed_1tns 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 23 . n . 23 . ca . 23 . cb . 23 . cg1 parsed_1tns 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 26 . n . 26 . ca . 26 . cb . 26 . cg1 parsed_1tns 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 55 . n . 55 . ca . 55 . cb . 55 . cg1 parsed_1tns 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 24 . n . 24 . ca . 24 . cb . 24 . cg1 parsed_1tns 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 3 . n . 3 . ca . 3 . cb . 3 . cg parsed_1tns 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 6 . n . 6 . ca . 6 . cb . 6 . og parsed_1tns 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 8 . n . 8 . ca . 8 . cb . 8 . cg parsed_1tns 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 9 . n . 9 . ca . 9 . cb . 9 . cg parsed_1tns 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 10 . n . 10 . ca . 10 . cb . 10 . cg parsed_1tns 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 13 . n . 13 . ca . 13 . cb . 13 . cg parsed_1tns 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 16 . n . 16 . ca . 16 . cb . 16 . cg parsed_1tns 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 18 . n . 18 . ca . 18 . cb . 18 . cg parsed_1tns 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 19 . n . 19 . ca . 19 . cb . 19 . og1 parsed_1tns 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 30 . n . 30 . ca . 30 . cb . 30 . cg parsed_1tns 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 32 . n . 32 . ca . 32 . cb . 32 . cg parsed_1tns 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 34 . n . 34 . ca . 34 . cb . 34 . cg parsed_1tns 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 47 . n . 47 . ca . 47 . cb . 47 . cg parsed_1tns 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 48 . n . 48 . ca . 48 . cb . 48 . cg parsed_1tns 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 49 . n . 49 . ca . 49 . cb . 49 . cg parsed_1tns 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 52 . n . 52 . ca . 52 . cb . 52 . og parsed_1tns 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 53 . n . 53 . ca . 53 . cb . 53 . cg parsed_1tns 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 65 . n . 65 . ca . 65 . cb . 65 . cg parsed_1tns 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . 3 . ca . 3 . cb . 3 . cg . 3 . cd1 parsed_1tns 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 10 . ca . 10 . cb . 10 . cg . 10 . cd1 parsed_1tns 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 13 . ca . 13 . cb . 13 . cg . 13 . cd1 parsed_1tns 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 16 . ca . 16 . cb . 16 . cg . 16 . cd1 parsed_1tns 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 53 . ca . 53 . cb . 53 . cg . 53 . cd1 parsed_1tns 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 200.0 . . 62 . ca . 62 . cb . 62 . cg . 62 . cd1 parsed_1tns 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . 24 . ca . 24 . cb . 24 . cg1 . 24 . cd1 parsed_1tns 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 120.0 . . 4 . ca . 4 . cb . 4 . cg . 4 . cd1 parsed_1tns 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 120.0 . . 25 . ca . 25 . cb . 25 . cg . 25 . cd1 parsed_1tns 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 -60.0 . . 32 . ca . 32 . cb . 32 . cg . 32 . cd1 parsed_1tns 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 120.0 . . 48 . ca . 48 . cb . 48 . cg . 48 . cd1 parsed_1tns 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 L3 2 1 2 5 parsed_1tns 1
2 V5 6 1 6 4 parsed_1tns 1
3 K8 11 1 11 4 parsed_1tns 1
4 E9 15 1 15 4 parsed_1tns 1
5 L10 19 1 19 5 parsed_1tns 1
6 A11 23 1 23 5 parsed_1tns 1
7 N12 27 1 27 5 parsed_1tns 1
8 L13 31 1 31 5 parsed_1tns 1
9 L16 35 1 35 5 parsed_1tns 1
10 T19 39 1 39 5 parsed_1tns 1
11 S20 43 1 43 5 parsed_1tns 1
12 A21 47 1 47 5 parsed_1tns 1
13 V23 51 1 51 5 parsed_1tns 1
14 I24 55 1 55 6 parsed_1tns 1
15 Y25 59 1 59 5 parsed_1tns 1
16 V26 63 1 63 6 parsed_1tns 1
17 A27 67 1 67 6 parsed_1tns 1
18 K28 71 1 71 5 parsed_1tns 1
19 K29 75 1 75 11 parsed_1tns 1
20 Q30 79 1 79 5 parsed_1tns 1
21 W32 84 1 84 6 parsed_1tns 1
22 Q33 88 1 88 6 parsed_1tns 1
23 N34 91 1 91 5 parsed_1tns 1
24 R35 95 1 95 5 parsed_1tns 1
25 T36 99 1 99 8 parsed_1tns 1
26 R37 103 1 103 6 parsed_1tns 1
27 A45 107 1 107 7 parsed_1tns 1
28 Y48 111 1 111 5 parsed_1tns 1
29 N49 115 1 115 5 parsed_1tns 1
30 A50 119 1 119 5 parsed_1tns 1
31 N51 123 1 123 5 parsed_1tns 1
32 S52 127 1 127 5 parsed_1tns 1
33 L53 131 1 131 5 parsed_1tns 1
34 E56 135 1 135 5 parsed_1tns 1
35 A57 139 1 139 5 parsed_1tns 1
36 K58 143 1 143 7 parsed_1tns 1
37 A60 147 1 147 5 parsed_1tns 1
38 L61 150 1 150 5 parsed_1tns 1
39 L63 154 1 154 5 parsed_1tns 1
40 R64 158 1 158 5 parsed_1tns 1
41 chi1 162 1 162 6 parsed_1tns 1
42 isoleucines 176 1 176 13 parsed_1tns 1
43 AMX-type 181 1 181 10 parsed_1tns 1
44 S6 186 1 186 5 parsed_1tns 1
45 L61 235 1 235 8 parsed_1tns 1
46 "chi2 ILE" 239 1 239 10 parsed_1tns 1
stop_
save_
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