NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | item_count |
|
|
33814 |
1iy6   |
5470 | cing | recoord | 2-parsed | STAR | dihedral angle | 67 |
data_1iy6_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1iy6
_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_1iy6 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1iy6
_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 1iy6 "Master copy" parsed_1iy6
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1iy6
_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 1iy6.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1iy6 1
1 1iy6.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1iy6 1
1 1iy6.mr . . XPLOR/CNS 3 distance NOE simple 562 parsed_1iy6 1
1 1iy6.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 52 parsed_1iy6 1
1 1iy6.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 67 parsed_1iy6 1
1 1iy6.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1iy6 1
1 1iy6.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1iy6 1
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1iy6
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 5
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_1iy6 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 6 . n . 6 . ca . 6 . cb . 6 . cg1 parsed_1iy6 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_1iy6 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_1iy6 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_1iy6 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_1iy6 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_1iy6 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_1iy6 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_1iy6 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 16 . n . 16 . ca . 16 . cb . 16 . sg parsed_1iy6 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_1iy6 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_1iy6 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 18 . c . 19 . n . 19 . ca . 19 . c parsed_1iy6 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_1iy6 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 20 . n . 20 . ca . 20 . cb . 20 . cg parsed_1iy6 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_1iy6 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 22 . c . 21 . n . 21 . ca . 21 . c parsed_1iy6 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 21 . n . 21 . ca . 21 . cb . 21 . cg parsed_1iy6 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 21 . c . 24 . n . 24 . ca . 24 . c parsed_1iy6 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_1iy6 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 10.0 . . 26 . n . 26 . ca . 26 . c . 27 . n parsed_1iy6 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 26 . c . 27 . n . 27 . ca . 27 . c parsed_1iy6 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 40.0 . . 27 . n . 27 . ca . 27 . c . 28 . n parsed_1iy6 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 27 . n . 27 . ca . 27 . cb . 27 . cg parsed_1iy6 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_1iy6 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.0 70.0 . . 28 . n . 28 . ca . 28 . c . 29 . n parsed_1iy6 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 28 . n . 28 . ca . 28 . cb . 28 . cg parsed_1iy6 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 28 . c . 29 . n . 29 . ca . 29 . c parsed_1iy6 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_1iy6 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 30 . n . 30 . ca . 30 . cb . 30 . og1 parsed_1iy6 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 30 . c . 31 . n . 31 . ca . 31 . c parsed_1iy6 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 31 . n . 31 . ca . 31 . cb . 31 . cg parsed_1iy6 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 33 . n . 33 . ca . 33 . cb . 33 . cg parsed_1iy6 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 33 . c . 34 . n . 34 . ca . 34 . c parsed_1iy6 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 34 . n . 34 . ca . 34 . c . 35 . n parsed_1iy6 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 34 . c . 35 . n . 35 . ca . 35 . c parsed_1iy6 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 35 . n . 35 . ca . 35 . c . 36 . n parsed_1iy6 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 35 . n . 35 . ca . 35 . cb . 35 . sg parsed_1iy6 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_1iy6 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 36 . n . 36 . ca . 36 . c . 37 . n parsed_1iy6 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 36 . c . 37 . n . 37 . ca . 37 . c parsed_1iy6 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 37 . n . 37 . ca . 37 . c . 38 . n parsed_1iy6 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 37 . n . 37 . ca . 37 . cb . 37 . cg parsed_1iy6 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 37 . c . 38 . n . 38 . ca . 38 . c parsed_1iy6 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 38 . n . 38 . ca . 38 . c . 39 . n parsed_1iy6 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 38 . n . 38 . ca . 38 . cb . 38 . sg parsed_1iy6 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 38 . c . 39 . n . 39 . ca . 39 . c parsed_1iy6 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 39 . n . 39 . ca . 39 . c . 40 . n parsed_1iy6 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 39 . n . 39 . ca . 39 . cb . 39 . sg parsed_1iy6 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 39 . c . 40 . n . 40 . ca . 40 . c parsed_1iy6 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 40 . n . 40 . ca . 40 . c . 41 . n parsed_1iy6 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 40 . c . 41 . n . 41 . ca . 41 . c parsed_1iy6 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 41 . n . 41 . ca . 41 . c . 42 . n parsed_1iy6 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 41 . n . 41 . ca . 41 . cb . 41 . cg1 parsed_1iy6 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 41 . c . 42 . n . 42 . ca . 42 . c parsed_1iy6 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 42 . n . 42 . ca . 42 . c . 43 . n parsed_1iy6 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 42 . n . 42 . ca . 42 . cb . 42 . cg1 parsed_1iy6 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 42 . c . 43 . n . 43 . ca . 43 . c parsed_1iy6 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 43 . n . 43 . ca . 43 . c . 44 . n parsed_1iy6 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 46 . c . 47 . n . 47 . ca . 47 . c parsed_1iy6 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 48 . n . 48 . ca . 48 . cb . 48 . cg parsed_1iy6 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 48 . c . 49 . n . 49 . ca . 49 . c parsed_1iy6 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 49 . n . 49 . ca . 49 . cb . 49 . og1 parsed_1iy6 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 50 . n . 50 . ca . 50 . cb . 50 . cg parsed_1iy6 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 50 . c . 51 . n . 51 . ca . 51 . c parsed_1iy6 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 53 . n . 53 . ca . 53 . cb . 53 . cg parsed_1iy6 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 54 . c . 55 . n . 55 . ca . 55 . c parsed_1iy6 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 angle" 2 1 2 16 parsed_1iy6 1
2 Phi 6 69 6 73 parsed_1iy6 1
3 "Chi 1" 8 70 8 76 parsed_1iy6 1
4 Phi 12 69 12 73 parsed_1iy6 1
5 Phi 17 69 17 73 parsed_1iy6 1
6 Phi 21 68 21 72 parsed_1iy6 1
7 Phi 25 71 25 75 parsed_1iy6 1
8 Phi 29 71 29 75 parsed_1iy6 1
9 Phi 33 71 33 75 parsed_1iy6 1
10 Phi 37 71 37 75 parsed_1iy6 1
11 "Chi 1" 39 72 39 78 parsed_1iy6 1
12 Phi 43 71 43 75 parsed_1iy6 1
13 Phi 47 71 47 75 parsed_1iy6 1
14 Phi 51 70 51 74 parsed_1iy6 1
15 Phi 55 71 55 75 parsed_1iy6 1
16 "Chi 1" 57 72 57 78 parsed_1iy6 1
17 Phi 61 71 61 75 parsed_1iy6 1
18 Phi 65 71 65 75 parsed_1iy6 1
19 Chi1 67 71 67 76 parsed_1iy6 1
20 Phi 71 71 71 75 parsed_1iy6 1
21 Phi 75 70 75 74 parsed_1iy6 1
22 Psi 78 69 78 73 parsed_1iy6 1
23 Phi 82 71 82 75 parsed_1iy6 1
24 Psi 84 69 84 73 parsed_1iy6 1
25 Chi1 86 71 86 76 parsed_1iy6 1
26 Phi 89 69 89 73 parsed_1iy6 1
27 Psi 91 68 91 72 parsed_1iy6 1
28 "Chi 1" 93 71 93 77 parsed_1iy6 1
29 Phi 96 71 96 75 parsed_1iy6 1
30 Phi 100 71 100 75 parsed_1iy6 1
31 "Chi 1" 102 72 102 78 parsed_1iy6 1
32 Phi 106 71 106 75 parsed_1iy6 1
33 "Chi 1" 108 72 108 78 parsed_1iy6 1
34 "Chi 1" 112 71 112 77 parsed_1iy6 1
35 Phi 115 70 115 74 parsed_1iy6 1
36 Psi 117 70 117 74 parsed_1iy6 1
37 Phi 121 70 121 74 parsed_1iy6 1
38 Psi 123 70 123 74 parsed_1iy6 1
39 "Chi 1" 125 72 125 78 parsed_1iy6 1
40 Phi 129 70 129 74 parsed_1iy6 1
41 Psi 131 70 131 74 parsed_1iy6 1
42 Phi 134 70 134 74 parsed_1iy6 1
43 Psi 136 70 136 74 parsed_1iy6 1
44 "Chi 1" 138 72 138 78 parsed_1iy6 1
45 Phi 141 70 141 74 parsed_1iy6 1
46 Psi 143 70 143 74 parsed_1iy6 1
47 "Chi 1" 145 72 145 78 parsed_1iy6 1
48 Phi 149 70 149 74 parsed_1iy6 1
49 Psi 151 70 151 74 parsed_1iy6 1
50 "Chi 1" 153 72 153 78 parsed_1iy6 1
51 Phi 156 70 156 74 parsed_1iy6 1
52 Psi 158 70 158 74 parsed_1iy6 1
53 Phi 162 70 162 74 parsed_1iy6 1
54 Psi 164 70 164 74 parsed_1iy6 1
55 "Chi 1" 166 73 166 79 parsed_1iy6 1
56 Phi 171 70 171 74 parsed_1iy6 1
57 Psi 173 70 173 74 parsed_1iy6 1
58 "Chi 1" 175 73 175 79 parsed_1iy6 1
59 Phi 179 70 179 74 parsed_1iy6 1
60 Psi 181 70 181 74 parsed_1iy6 1
61 Phi 185 71 185 75 parsed_1iy6 1
62 Chi1 189 72 189 77 parsed_1iy6 1
63 Phi 193 71 193 75 parsed_1iy6 1
64 Chi1 195 72 195 77 parsed_1iy6 1
65 Chi1 198 72 198 77 parsed_1iy6 1
66 Phi 201 71 201 75 parsed_1iy6 1
67 Chi1 205 72 205 77 parsed_1iy6 1
68 Phi 209 70 209 74 parsed_1iy6 1
stop_
save_
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