NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
30325 |
1cfa   |
cing | 2-parsed | STAR | dihedral angle | 69 |
data_1cfa_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1cfa
_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_1cfa 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1cfa
_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 1cfa "Master copy" parsed_1cfa
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1cfa
_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 1cfa.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1cfa 1
1 1cfa.mr . . XPLOR/CNS 2 distance NOE simple 835 parsed_1cfa 1
1 1cfa.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 54 parsed_1cfa 1
1 1cfa.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1cfa 1
1 1cfa.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 69 parsed_1cfa 1
1 1cfa.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1cfa 1
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1cfa
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . SEMI 1 . c SEMI 2 . n SEMI 2 . ca SEMI 2 . c parsed_1cfa 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . SEMI 2 . c SEMI 3 . n SEMI 3 . ca SEMI 3 . c parsed_1cfa 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . SEMI 3 . c SEMI 4 . n SEMI 4 . ca SEMI 4 . c parsed_1cfa 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . SEMI 4 . c SEMI 5 . n SEMI 5 . ca SEMI 5 . c parsed_1cfa 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . SEMI 5 . c SEMI 6 . n SEMI 6 . ca SEMI 6 . c parsed_1cfa 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . SEMI 6 . c SEMI 7 . n SEMI 7 . ca SEMI 7 . c parsed_1cfa 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . SEMI 7 . c SEMI 8 . n SEMI 8 . ca SEMI 8 . c parsed_1cfa 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . SEMI 8 . c SEMI 9 . n SEMI 9 . ca SEMI 9 . c parsed_1cfa 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . SEMI 9 . c SEMI 10 . n SEMI 10 . ca SEMI 10 . c parsed_1cfa 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . SEMI 10 . c SEMI 11 . n SEMI 11 . ca SEMI 11 . c parsed_1cfa 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . SEMI 11 . c SEMI 12 . n SEMI 12 . ca SEMI 12 . c parsed_1cfa 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . SEMI 12 . c SEMI 13 . n SEMI 13 . ca SEMI 13 . c parsed_1cfa 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . SEMI 13 . c SEMI 14 . n SEMI 14 . ca SEMI 14 . c parsed_1cfa 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . SEMI 14 . c SEMI 15 . n SEMI 15 . ca SEMI 15 . c parsed_1cfa 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . SEMI 15 . c SEMI 16 . n SEMI 16 . ca SEMI 16 . c parsed_1cfa 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . SEMI 16 . c SEMI 17 . n SEMI 17 . ca SEMI 17 . c parsed_1cfa 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . SEMI 17 . c SEMI 18 . n SEMI 18 . ca SEMI 18 . c parsed_1cfa 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . SEMI 18 . c SEMI 19 . n SEMI 19 . ca SEMI 19 . c parsed_1cfa 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . SEMI 19 . c SEMI 20 . n SEMI 20 . ca SEMI 20 . c parsed_1cfa 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . SEMI 20 . c SEMI 21 . n SEMI 21 . ca SEMI 21 . c parsed_1cfa 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . SEMI 21 . c SEMI 22 . n SEMI 22 . ca SEMI 22 . c parsed_1cfa 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . SEMI 22 . c SEMI 23 . n SEMI 23 . ca SEMI 23 . c parsed_1cfa 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . SEMI 23 . c SEMI 24 . n SEMI 24 . ca SEMI 24 . c parsed_1cfa 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . SEMI 25 . c SEMI 26 . n SEMI 26 . ca SEMI 26 . c parsed_1cfa 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . SEMI 26 . c SEMI 27 . n SEMI 27 . ca SEMI 27 . c parsed_1cfa 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . SEMI 27 . c SEMI 28 . n SEMI 28 . ca SEMI 28 . c parsed_1cfa 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . SEMI 28 . c SEMI 29 . n SEMI 29 . ca SEMI 29 . c parsed_1cfa 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . SEMI 29 . c SEMI 30 . n SEMI 30 . ca SEMI 30 . c parsed_1cfa 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . SEMI 30 . c SEMI 31 . n SEMI 31 . ca SEMI 31 . c parsed_1cfa 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . SEMI 31 . c SEMI 32 . n SEMI 32 . ca SEMI 32 . c parsed_1cfa 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . SEMI 32 . c SEMI 33 . n SEMI 33 . ca SEMI 33 . c parsed_1cfa 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . SEMI 33 . c SEMI 34 . n SEMI 34 . ca SEMI 34 . c parsed_1cfa 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . SEMI 34 . c SEMI 35 . n SEMI 35 . ca SEMI 35 . c parsed_1cfa 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . SEMI 35 . c SEMI 36 . n SEMI 36 . ca SEMI 36 . c parsed_1cfa 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . SEMI 36 . c SEMI 37 . n SEMI 37 . ca SEMI 37 . c parsed_1cfa 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . SEMI 37 . c SEMI 38 . n SEMI 38 . ca SEMI 38 . c parsed_1cfa 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . SEMI 38 . c SEMI 39 . n SEMI 39 . ca SEMI 39 . c parsed_1cfa 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . SEMI 39 . c SEMI 40 . n SEMI 40 . ca SEMI 40 . c parsed_1cfa 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . SEMI 40 . c SEMI 41 . n SEMI 41 . ca SEMI 41 . c parsed_1cfa 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . SEMI 41 . c SEMI 42 . n SEMI 42 . ca SEMI 42 . c parsed_1cfa 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . SEMI 42 . c SEMI 43 . n SEMI 43 . ca SEMI 43 . c parsed_1cfa 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . SEMI 45 . c SEMI 46 . n SEMI 46 . ca SEMI 46 . c parsed_1cfa 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . SEMI 46 . c SEMI 47 . n SEMI 47 . ca SEMI 47 . c parsed_1cfa 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . SEMI 47 . c SEMI 48 . n SEMI 48 . ca SEMI 48 . c parsed_1cfa 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . SEMI 48 . c SEMI 49 . n SEMI 49 . ca SEMI 49 . c parsed_1cfa 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . SEMI 49 . c SEMI 50 . n SEMI 50 . ca SEMI 50 . c parsed_1cfa 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . SEMI 50 . c SEMI 51 . n SEMI 51 . ca SEMI 51 . c parsed_1cfa 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . SEMI 51 . c SEMI 52 . n SEMI 52 . ca SEMI 52 . c parsed_1cfa 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . SEMI 52 . c SEMI 53 . n SEMI 53 . ca SEMI 53 . c parsed_1cfa 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . SEMI 53 . c SEMI 54 . n SEMI 54 . ca SEMI 54 . c parsed_1cfa 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . SEMI 54 . c SEMI 55 . n SEMI 55 . ca SEMI 55 . c parsed_1cfa 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . SEMI 55 . c SEMI 56 . n SEMI 56 . ca SEMI 56 . c parsed_1cfa 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . SEMI 56 . c SEMI 57 . n SEMI 57 . ca SEMI 57 . c parsed_1cfa 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . SEMI 57 . c SEMI 58 . n SEMI 58 . ca SEMI 58 . c parsed_1cfa 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . SEMI 58 . c SEMI 59 . n SEMI 59 . ca SEMI 59 . c parsed_1cfa 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . SEMI 59 . c SEMI 60 . n SEMI 60 . ca SEMI 60 . c parsed_1cfa 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . SEMI 60 . c SEMI 61 . n SEMI 61 . ca SEMI 61 . c parsed_1cfa 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . SEMI 61 . c SEMI 62 . n SEMI 62 . ca SEMI 62 . c parsed_1cfa 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . SEMI 62 . c SEMI 63 . n SEMI 63 . ca SEMI 63 . c parsed_1cfa 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . SEMI 63 . c SEMI 64 . n SEMI 64 . ca SEMI 64 . c parsed_1cfa 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . SEMI 64 . c SEMI 65 . n SEMI 65 . ca SEMI 65 . c parsed_1cfa 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . SEMI 65 . c SEMI 66 . n SEMI 66 . ca SEMI 66 . c parsed_1cfa 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . SEMI 66 . c SEMI 67 . n SEMI 67 . ca SEMI 67 . c parsed_1cfa 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . SEMI 67 . c SEMI 68 . n SEMI 68 . ca SEMI 68 . c parsed_1cfa 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . SEMI 68 . c SEMI 69 . n SEMI 69 . ca SEMI 69 . c parsed_1cfa 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . SEMI 69 . c SEMI 70 . n SEMI 70 . ca SEMI 70 . c parsed_1cfa 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . SEMI 70 . c SEMI 71 . n SEMI 71 . ca SEMI 71 . c parsed_1cfa 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . SEMI 72 . c SEMI 73 . n SEMI 73 . ca SEMI 73 . c parsed_1cfa 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 0.0 . SEMI 74 . c SEMI 75 . n SEMI 75 . ca SEMI 75 . c parsed_1cfa 1
stop_
save_
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