NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | program | type | item_count |
|
|
29017 |
1afi   |
cing | recoord | dress | 2-parsed | STAR | dihedral angle | 61 |
data_1afi_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1afi
_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_1afi 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1afi
_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 1afi "Master copy" parsed_1afi
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1afi
_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 1afi.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1afi 1
1 1afi.mr . . XPLOR/CNS 2 distance NOE simple 917 parsed_1afi 1
1 1afi.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 56 parsed_1afi 1
1 1afi.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 61 parsed_1afi 1
1 1afi.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1afi 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1afi
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 0.00 . MER 10 . C MER 11 . N MER 11 . CA MER 11 . C parsed_1afi 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 0.00 . MER 15 . C MER 16 . N MER 16 . CA MER 16 . C parsed_1afi 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 0.00 . MER 16 . C MER 17 . N MER 17 . CA MER 17 . C parsed_1afi 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 0.00 . MER 26 . C MER 27 . N MER 27 . CA MER 27 . C parsed_1afi 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 0.00 . MER 27 . C MER 28 . N MER 28 . CA MER 28 . C parsed_1afi 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 0.00 . MER 30 . C MER 31 . N MER 31 . CA MER 31 . C parsed_1afi 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 0.00 . MER 22 . C MER 23 . N MER 23 . CA MER 23 . C parsed_1afi 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 0.00 . MER 23 . C MER 24 . N MER 24 . CA MER 24 . C parsed_1afi 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 0.00 . MER 24 . C MER 25 . N MER 25 . CA MER 25 . C parsed_1afi 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 0.00 . MER 25 . C MER 26 . N MER 26 . CA MER 26 . C parsed_1afi 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 0.00 . MER 31 . C MER 32 . N MER 32 . CA MER 32 . C parsed_1afi 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 0.00 . MER 32 . C MER 33 . N MER 33 . CA MER 33 . C parsed_1afi 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 0.00 . MER 37 . C MER 38 . N MER 38 . CA MER 38 . C parsed_1afi 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 0.00 . MER 38 . C MER 39 . N MER 39 . CA MER 39 . C parsed_1afi 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 0.00 . MER 39 . C MER 40 . N MER 40 . CA MER 40 . C parsed_1afi 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 0.00 . MER 48 . C MER 49 . N MER 49 . CA MER 49 . C parsed_1afi 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 0.00 . MER 49 . C MER 50 . N MER 50 . CA MER 50 . C parsed_1afi 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 0.00 . MER 50 . C MER 51 . N MER 51 . CA MER 51 . C parsed_1afi 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 0.00 . MER 51 . C MER 52 . N MER 52 . CA MER 52 . C parsed_1afi 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 0.00 . MER 54 . C MER 55 . N MER 55 . CA MER 55 . C parsed_1afi 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 0.00 . MER 55 . C MER 56 . N MER 56 . CA MER 56 . C parsed_1afi 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 0.00 . MER 57 . C MER 58 . N MER 58 . CA MER 58 . C parsed_1afi 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 0.00 . MER 63 . C MER 64 . N MER 64 . CA MER 64 . C parsed_1afi 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.00 0.00 . MER 65 . C MER 66 . N MER 66 . CA MER 66 . C parsed_1afi 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -110.00 . MER 2 . C MER 3 . N MER 3 . CA MER 3 . C parsed_1afi 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -110.00 . MER 3 . C MER 4 . N MER 4 . CA MER 4 . C parsed_1afi 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -110.00 . MER 4 . C MER 5 . N MER 5 . CA MER 5 . C parsed_1afi 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -110.00 . MER 5 . C MER 6 . N MER 6 . CA MER 6 . C parsed_1afi 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -110.00 . MER 6 . C MER 7 . N MER 7 . CA MER 7 . C parsed_1afi 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -110.00 . MER 7 . C MER 8 . N MER 8 . CA MER 8 . C parsed_1afi 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -110.00 . MER 8 . C MER 9 . N MER 9 . CA MER 9 . C parsed_1afi 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . MER 18 . C MER 19 . N MER 19 . CA MER 19 . C parsed_1afi 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . MER 19 . C MER 20 . N MER 20 . CA MER 20 . C parsed_1afi 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . MER 20 . C MER 21 . N MER 21 . CA MER 21 . C parsed_1afi 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . MER 21 . C MER 22 . N MER 22 . CA MER 22 . C parsed_1afi 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . MER 22 . C MER 23 . N MER 23 . CA MER 23 . C parsed_1afi 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . MER 23 . C MER 24 . N MER 24 . CA MER 24 . C parsed_1afi 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . MER 24 . C MER 25 . N MER 25 . CA MER 25 . C parsed_1afi 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . MER 25 . C MER 26 . N MER 26 . CA MER 26 . C parsed_1afi 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -110.00 . MER 31 . C MER 32 . N MER 32 . CA MER 32 . C parsed_1afi 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -110.00 . MER 33 . C MER 34 . N MER 34 . CA MER 34 . C parsed_1afi 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -110.00 . MER 34 . C MER 35 . N MER 35 . CA MER 35 . C parsed_1afi 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -110.00 . MER 35 . C MER 36 . N MER 36 . CA MER 36 . C parsed_1afi 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -110.00 . MER 36 . C MER 37 . N MER 37 . CA MER 37 . C parsed_1afi 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -110.00 . MER 41 . C MER 42 . N MER 42 . CA MER 42 . C parsed_1afi 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -110.00 . MER 42 . C MER 43 . N MER 43 . CA MER 43 . C parsed_1afi 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -110.00 . MER 43 . C MER 44 . N MER 44 . CA MER 44 . C parsed_1afi 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -110.00 . MER 44 . C MER 45 . N MER 45 . CA MER 45 . C parsed_1afi 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -110.00 . MER 45 . C MER 46 . N MER 46 . CA MER 46 . C parsed_1afi 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -110.00 . MER 46 . C MER 47 . N MER 47 . CA MER 47 . C parsed_1afi 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -110.00 . MER 47 . C MER 48 . N MER 48 . CA MER 48 . C parsed_1afi 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . MER 53 . C MER 54 . N MER 54 . CA MER 54 . C parsed_1afi 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . MER 56 . C MER 57 . N MER 57 . CA MER 57 . C parsed_1afi 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . MER 58 . C MER 59 . N MER 59 . CA MER 59 . C parsed_1afi 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . MER 59 . C MER 60 . N MER 60 . CA MER 60 . C parsed_1afi 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . MER 60 . C MER 61 . N MER 61 . CA MER 61 . C parsed_1afi 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . MER 61 . C MER 62 . N MER 62 . CA MER 62 . C parsed_1afi 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . MER 62 . C MER 63 . N MER 63 . CA MER 63 . C parsed_1afi 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -110.00 . MER 67 . C MER 68 . N MER 68 . CA MER 68 . C parsed_1afi 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.00 -110.00 . MER 68 . C MER 69 . N MER 69 . CA MER 69 . C parsed_1afi 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.00 -50.00 . MER 29 . C MER 30 . N MER 30 . CA MER 30 . C parsed_1afi 1
stop_
save_
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