NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | item_count |
|
|
32465 |
1g2t   |
cing | recoord | 2-parsed | STAR | dihedral angle | 69 |
data_1g2t_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1g2t
_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_1g2t 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1g2t
_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 1g2t "Master copy" parsed_1g2t
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1g2t
_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 1g2t.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1g2t 1
1 1g2t.mr . . XPLOR/CNS 2 distance NOE simple 1171 parsed_1g2t 1
1 1g2t.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1g2t 1
1 1g2t.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 69 parsed_1g2t 1
1 1g2t.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1g2t 1
1 1g2t.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1g2t 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1g2t
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_1g2t 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_1g2t 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 4 . c . 5 . n . 5 . ca . 5 . c parsed_1g2t 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_1g2t 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_1g2t 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_1g2t 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_1g2t 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_1g2t 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_1g2t 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_1g2t 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_1g2t 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_1g2t 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_1g2t 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 18 . c . 19 . n . 19 . ca . 19 . c parsed_1g2t 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_1g2t 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_1g2t 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_1g2t 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_1g2t 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_1g2t 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 26 . c . 27 . n . 27 . ca . 27 . c parsed_1g2t 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_1g2t 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 28 . c . 29 . n . 29 . ca . 29 . c parsed_1g2t 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_1g2t 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 30 . c . 31 . n . 31 . ca . 31 . c parsed_1g2t 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 31 . c . 32 . n . 32 . ca . 32 . c parsed_1g2t 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_1g2t 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 34 . c . 35 . n . 35 . ca . 35 . c parsed_1g2t 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_1g2t 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 36 . c . 37 . n . 37 . ca . 37 . c parsed_1g2t 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 37 . c . 38 . n . 38 . ca . 38 . c parsed_1g2t 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 38 . c . 39 . n . 39 . ca . 39 . c parsed_1g2t 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 39 . c . 40 . n . 40 . ca . 40 . c parsed_1g2t 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 40 . c . 41 . n . 41 . ca . 41 . c parsed_1g2t 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 41 . c . 42 . n . 42 . ca . 42 . c parsed_1g2t 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 42 . c . 43 . n . 43 . ca . 43 . c parsed_1g2t 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 43 . c . 44 . n . 44 . ca . 44 . c parsed_1g2t 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 44 . c . 45 . n . 45 . ca . 45 . c parsed_1g2t 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 47 . c . 48 . n . 48 . ca . 48 . c parsed_1g2t 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 48 . c . 49 . n . 49 . ca . 49 . c parsed_1g2t 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 49 . c . 50 . n . 50 . ca . 50 . c parsed_1g2t 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 50 . c . 51 . n . 51 . ca . 51 . c parsed_1g2t 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -20.0 . . 51 . c . 52 . n . 52 . ca . 52 . c parsed_1g2t 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 53 . c . 54 . n . 54 . ca . 54 . c parsed_1g2t 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 55 . c . 56 . n . 56 . ca . 56 . c parsed_1g2t 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 56 . c . 57 . n . 57 . ca . 57 . c parsed_1g2t 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 58 . c . 59 . n . 59 . ca . 59 . c parsed_1g2t 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 60 . c . 61 . n . 61 . ca . 61 . c parsed_1g2t 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 61 . c . 62 . n . 62 . ca . 62 . c parsed_1g2t 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 62 . c . 63 . n . 63 . ca . 63 . c parsed_1g2t 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 66 . c . 67 . n . 67 . ca . 67 . c parsed_1g2t 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 68 . c . 69 . n . 69 . ca . 69 . c parsed_1g2t 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -60.0 . . 69 . c . 70 . n . 70 . ca . 70 . c parsed_1g2t 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 70 . c . 71 . n . 71 . ca . 71 . c parsed_1g2t 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 26 . n . 26 . ca . 26 . cb . 26 . og parsed_1g2t 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 28 . n . 28 . ca . 28 . cb . 28 . cg parsed_1g2t 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 10 . n . 10 . ca . 10 . cb . 10 . sg parsed_1g2t 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 0.0 . . 14 . n . 14 . ca . 14 . cb . 14 . cg parsed_1g2t 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 0.0 . . 23 . n . 23 . ca . 23 . cb . 23 . cg parsed_1g2t 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 0.0 . . 29 . n . 29 . ca . 29 . cb . 29 . cg parsed_1g2t 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 0.0 . . 41 . n . 41 . ca . 41 . cb . 41 . cg parsed_1g2t 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 0.0 . . 48 . n . 48 . ca . 48 . cb . 48 . cg parsed_1g2t 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 64 . n . 64 . ca . 64 . cb . 64 . cg parsed_1g2t 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 61 . n . 61 . ca . 61 . cb . 61 . cg parsed_1g2t 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 0.0 . . 44 . n . 44 . ca . 44 . cb . 44 . cg parsed_1g2t 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -240.0 0.0 . . 45 . n . 45 . ca . 45 . cb . 45 . cg parsed_1g2t 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 50 . n . 50 . ca . 50 . cb . 50 . sg parsed_1g2t 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 1 . n . 1 . ca . 1 . cb . 1 . og1 parsed_1g2t 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 240.0 . . 22 . n . 22 . ca . 22 . cb . 22 . og1 parsed_1g2t 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 240.0 . . 58 . n . 58 . ca . 58 . cb . 58 . cg1 parsed_1g2t 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 7.894 2 74 2 81 parsed_1g2t 1
2 7.325 4 74 4 81 parsed_1g2t 1
3 7.331 6 74 6 81 parsed_1g2t 1
4 7.381 8 74 8 81 parsed_1g2t 1
5 *6.909 10 74 10 82 parsed_1g2t 1
6 7.762 12 74 12 81 parsed_1g2t 1
7 8.962 14 74 14 81 parsed_1g2t 1
8 9.221 16 76 16 83 parsed_1g2t 1
9 9.565 18 76 18 83 parsed_1g2t 1
10 8.633 20 76 20 83 parsed_1g2t 1
11 9.307 22 76 22 83 parsed_1g2t 1
12 7.156 24 76 24 83 parsed_1g2t 1
13 7.935 26 76 26 83 parsed_1g2t 1
14 8.098 28 76 28 83 parsed_1g2t 1
15 2.530 30 75 30 82 parsed_1g2t 1
16 5.061 32 75 32 82 parsed_1g2t 1
17 8.374 34 76 34 83 parsed_1g2t 1
18 9.940 36 76 36 83 parsed_1g2t 1
19 7.093 38 76 38 83 parsed_1g2t 1
20 8.899 40 76 40 83 parsed_1g2t 1
21 7.484 42 76 42 83 parsed_1g2t 1
22 9.078 44 76 44 83 parsed_1g2t 1
23 "*T30 5.921" 46 76 46 88 parsed_1g2t 1
24 3.534 48 75 48 82 parsed_1g2t 1
25 4.374 50 75 50 82 parsed_1g2t 1
26 7.430 52 76 52 83 parsed_1g2t 1
27 4.376 54 75 54 82 parsed_1g2t 1
28 9.442 56 76 56 83 parsed_1g2t 1
29 "*R37 6.920" 58 76 58 87 parsed_1g2t 1
30 8.773 60 76 60 83 parsed_1g2t 1
31 9.919 62 76 62 83 parsed_1g2t 1
32 10.079 64 76 64 84 parsed_1g2t 1
33 9.776 66 76 66 83 parsed_1g2t 1
34 10.234 68 76 68 84 parsed_1g2t 1
35 8.473 70 76 70 83 parsed_1g2t 1
36 3.636 72 75 72 82 parsed_1g2t 1
37 9.366 74 76 74 83 parsed_1g2t 1
38 9.088 76 76 76 83 parsed_1g2t 1
39 10.067 78 76 78 84 parsed_1g2t 1
40 7.563 80 76 80 83 parsed_1g2t 1
41 9.832 82 76 82 83 parsed_1g2t 1
42 "*H52 6.976" 84 76 84 88 parsed_1g2t 1
43 7.722 86 76 86 83 parsed_1g2t 1
44 2.830 88 75 88 82 parsed_1g2t 1
45 4.067 90 75 90 82 parsed_1g2t 1
46 4.781 92 75 92 82 parsed_1g2t 1
47 4.447 94 75 94 82 parsed_1g2t 1
48 4.477 96 75 96 82 parsed_1g2t 1
49 4.784 98 75 98 82 parsed_1g2t 1
50 7.653 100 76 100 83 parsed_1g2t 1
51 7.104 102 76 102 83 parsed_1g2t 1
52 7.778 104 76 104 83 parsed_1g2t 1
53 8.292 106 76 106 83 parsed_1g2t 1
stop_
save_
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