Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
29060 | 1ah1 RC | cing | 2-parsed | STAR | dihedral angle | 63 |
data_1ah1_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1ah1
_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_1ah1 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1ah1
_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 1ah1 "Master copy" parsed_1ah1
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1ah1
_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 1ah1.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1ah1 1
1 1ah1.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 63 parsed_1ah1 1
1 1ah1.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 0 parsed_1ah1 1
1 1ah1.mr . . XPLOR/CNS 4 distance NOE simple 0 parsed_1ah1 1
1 1ah1.mr . . XPLOR/CNS 5 distance "disulfide bond" simple 0 parsed_1ah1 1
1 1ah1.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1ah1 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1ah1
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_1ah1 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_1ah1 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 9 . c . 10 . n . 10 . ca . 10 . c parsed_1ah1 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_1ah1 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_1ah1 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_1ah1 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_1ah1 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_1ah1 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_1ah1 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_1ah1 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 30 . c . 31 . n . 31 . ca . 31 . c parsed_1ah1 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 31 . c . 32 . n . 32 . ca . 32 . c parsed_1ah1 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 33 . c . 34 . n . 34 . ca . 34 . c parsed_1ah1 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 34 . c . 35 . n . 35 . ca . 35 . c parsed_1ah1 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 36 . c . 37 . n . 37 . ca . 37 . c parsed_1ah1 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 38 . c . 39 . n . 39 . ca . 39 . c parsed_1ah1 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 43 . c . 44 . n . 44 . ca . 44 . c parsed_1ah1 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 44 . c . 45 . n . 45 . ca . 45 . c parsed_1ah1 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 45 . c . 46 . n . 46 . ca . 46 . c parsed_1ah1 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 46 . c . 47 . n . 47 . ca . 47 . c parsed_1ah1 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 50 . c . 51 . n . 51 . ca . 51 . c parsed_1ah1 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 55 . c . 56 . n . 56 . ca . 56 . c parsed_1ah1 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 58 . c . 59 . n . 59 . ca . 59 . c parsed_1ah1 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 68 . c . 69 . n . 69 . ca . 69 . c parsed_1ah1 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 75 . c . 76 . n . 76 . ca . 76 . c parsed_1ah1 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 76 . c . 77 . n . 77 . ca . 77 . c parsed_1ah1 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 77 . c . 78 . n . 78 . ca . 78 . c parsed_1ah1 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 78 . c . 79 . n . 79 . ca . 79 . c parsed_1ah1 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 79 . c . 80 . n . 80 . ca . 80 . c parsed_1ah1 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 80 . c . 81 . n . 81 . ca . 81 . c parsed_1ah1 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 83 . c . 84 . n . 84 . ca . 84 . c parsed_1ah1 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 85 . c . 86 . n . 86 . ca . 86 . c parsed_1ah1 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 86 . c . 87 . n . 87 . ca . 87 . c parsed_1ah1 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 87 . c . 88 . n . 88 . ca . 88 . c parsed_1ah1 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 93 . c . 94 . n . 94 . ca . 94 . c parsed_1ah1 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 95 . c . 96 . n . 96 . ca . 96 . c parsed_1ah1 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 98 . c . 99 . n . 99 . ca . 99 . c parsed_1ah1 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 105 . c . 106 . n . 106 . ca . 106 . c parsed_1ah1 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 108 . c . 109 . n . 109 . ca . 109 . c parsed_1ah1 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 114 . c . 115 . n . 115 . ca . 115 . c parsed_1ah1 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 115 . c . 116 . n . 116 . ca . 116 . c parsed_1ah1 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 30 . n . 30 . ca . 30 . cb . 30 . og1 parsed_1ah1 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 35 . n . 35 . ca . 35 . cb . 35 . og1 parsed_1ah1 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 45 . n . 45 . ca . 45 . cb . 45 . og1 parsed_1ah1 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 51 . n . 51 . ca . 51 . cb . 51 . og1 parsed_1ah1 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 59 . n . 59 . ca . 59 . cb . 59 . og1 parsed_1ah1 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 69 . n . 69 . ca . 69 . cb . 69 . og1 parsed_1ah1 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 71 . n . 71 . ca . 71 . cb . 71 . og1 parsed_1ah1 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 80 . n . 80 . ca . 80 . cb . 80 . og1 parsed_1ah1 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 113 . n . 113 . ca . 113 . cb . 113 . og1 parsed_1ah1 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 16 . n . 16 . ca . 16 . cb . 16 . cg1 parsed_1ah1 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 67 . n . 67 . ca . 67 . cb . 67 . cg1 parsed_1ah1 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 81 . n . 81 . ca . 81 . cb . 81 . cg1 parsed_1ah1 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 93 . n . 93 . ca . 93 . cb . 93 . cg1 parsed_1ah1 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 109 . n . 109 . ca . 109 . cb . 109 . cg1 parsed_1ah1 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 115 . n . 115 . ca . 115 . cb . 115 . cg1 parsed_1ah1 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 3 . n . 3 . ca . 3 . cb . 3 . cg1 parsed_1ah1 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 8 . n . 8 . ca . 8 . cb . 8 . cg1 parsed_1ah1 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 9 . n . 9 . ca . 9 . cb . 9 . cg1 parsed_1ah1 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 20 . n . 20 . ca . 20 . cb . 20 . cg1 parsed_1ah1 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 44 . n . 44 . ca . 44 . cb . 44 . cg1 parsed_1ah1 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 47 . n . 47 . ca . 47 . cb . 47 . cg1 parsed_1ah1 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 77 . n . 77 . ca . 77 . cb . 77 . cg1 parsed_1ah1 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 "angle restraints for phi" 2 1 3 2 parsed_1ah1 1
2 8.3 5 77 5 82 parsed_1ah1 1
3 8.0 7 77 7 82 parsed_1ah1 1
4 8.0 9 77 9 82 parsed_1ah1 1
5 8.1 11 77 11 82 parsed_1ah1 1
6 8.3 13 77 13 82 parsed_1ah1 1
7 8.0 15 77 15 82 parsed_1ah1 1
8 8.6 17 77 17 82 parsed_1ah1 1
9 8.6 19 77 19 82 parsed_1ah1 1
10 8.0 21 77 21 82 parsed_1ah1 1
11 8.9 23 77 23 82 parsed_1ah1 1
12 8.2 25 77 25 82 parsed_1ah1 1
13 8.8 27 77 27 82 parsed_1ah1 1
14 9.4 29 77 29 82 parsed_1ah1 1
15 8.2 31 77 31 82 parsed_1ah1 1
16 9.6 33 77 33 82 parsed_1ah1 1
17 8.8 35 77 35 82 parsed_1ah1 1
18 8.8 37 77 37 82 parsed_1ah1 1
19 8.0 39 77 39 82 parsed_1ah1 1
20 8.2 41 77 41 82 parsed_1ah1 1
21 8.6 43 77 43 82 parsed_1ah1 1
22 9.5 45 77 45 82 parsed_1ah1 1
23 8.2 47 77 47 82 parsed_1ah1 1
24 8.1 49 77 49 82 parsed_1ah1 1
25 9.7 51 77 51 82 parsed_1ah1 1
26 8.0 53 77 53 82 parsed_1ah1 1
27 8.5 55 77 55 82 parsed_1ah1 1
28 8.0 57 77 57 82 parsed_1ah1 1
29 8.0 59 77 59 82 parsed_1ah1 1
30 8.9 61 77 61 82 parsed_1ah1 1
31 8.5 63 77 63 82 parsed_1ah1 1
32 <5.0 65 77 65 83 parsed_1ah1 1
33 <5.0 67 77 67 83 parsed_1ah1 1
34 <5.0 69 77 69 83 parsed_1ah1 1
35 5.6 71 77 71 83 parsed_1ah1 1
36 8.5 73 77 73 82 parsed_1ah1 1
37 8.1 75 77 75 82 parsed_1ah1 1
38 8.8 77 77 77 82 parsed_1ah1 1
39 8.0 79 77 79 82 parsed_1ah1 1
40 8.1 81 77 81 82 parsed_1ah1 1
41 8.2 83 77 83 82 parsed_1ah1 1
42
;
8.0
chi 1 restraints for VAL, ILE and THR derived from CO-CH3 and N-CH3 J-values and noes
THR
;
85 77 89 6 parsed_1ah1 1
43 ILE 107 78 108 6 parsed_1ah1 1
44 VAL 120 78 121 6 parsed_1ah1 1
stop_
save_