NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
566048 |
2m76   |
19174 | cing | 2-parsed | STAR | dihedral angle | 52 |
data_2m76_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2m76
_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_2m76 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2m76
_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 2m76 "Master copy" parsed_2m76
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2m76
_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 2m76.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2m76 1
1 2m76.mr . . DYANA/DIANA 2 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2m76 1
1 2m76.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 52 parsed_2m76 1
1 2m76.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2m76 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2m76
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.0 -41.0 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_2m76 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.0 46.0 . . 22 . n . 22 . ca . 22 . c . 23 . n parsed_2m76 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.0 -51.0 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_2m76 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.0 -25.0 . . 25 . n . 25 . ca . 25 . c . 26 . n parsed_2m76 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.4 -48.4 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_2m76 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.3 -11.3 . . 26 . n . 26 . ca . 26 . c . 27 . n parsed_2m76 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.0 -49.2 . . 26 . c . 27 . n . 27 . ca . 27 . c parsed_2m76 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.8 -14.0 . . 27 . n . 27 . ca . 27 . c . 28 . n parsed_2m76 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.2 -46.6 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_2m76 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.0 -29.4 . . 28 . n . 28 . ca . 28 . c . 29 . n parsed_2m76 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.9 -54.5 . . 28 . c . 29 . n . 29 . ca . 29 . c parsed_2m76 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.9 -31.5 . . 29 . n . 29 . ca . 29 . c . 30 . n parsed_2m76 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.0 -55.0 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_2m76 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.0 -37.0 . . 30 . n . 30 . ca . 30 . c . 31 . n parsed_2m76 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.3 -54.7 . . 30 . c . 31 . n . 31 . ca . 31 . c parsed_2m76 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.3 -35.5 . . 31 . n . 31 . ca . 31 . c . 32 . n parsed_2m76 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.3 -51.1 . . 31 . c . 32 . n . 32 . ca . 32 . c parsed_2m76 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.3 -33.1 . . 32 . n . 32 . ca . 32 . c . 33 . n parsed_2m76 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.5 -46.7 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_2m76 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.7 -27.9 . . 33 . n . 33 . ca . 33 . c . 34 . n parsed_2m76 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.6 -58.2 . . 33 . c . 34 . n . 34 . ca . 34 . c parsed_2m76 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.0 -25.0 . . 34 . n . 34 . ca . 34 . c . 35 . n parsed_2m76 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.0 -49.8 . . 34 . c . 35 . n . 35 . ca . 35 . c parsed_2m76 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.0 -27.2 . . 35 . n . 35 . ca . 35 . c . 36 . n parsed_2m76 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.0 -53.0 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_2m76 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.0 -30.0 . . 36 . n . 36 . ca . 36 . c . 37 . n parsed_2m76 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -53.0 . . 36 . c . 37 . n . 37 . ca . 37 . c parsed_2m76 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.0 -18.0 . . 37 . n . 37 . ca . 37 . c . 38 . n parsed_2m76 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -54.0 . . 37 . c . 38 . n . 38 . ca . 38 . c parsed_2m76 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.0 -36.0 . . 38 . n . 38 . ca . 38 . c . 39 . n parsed_2m76 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.0 -53.0 . . 38 . c . 39 . n . 39 . ca . 39 . c parsed_2m76 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.0 -35.0 . . 39 . n . 39 . ca . 39 . c . 40 . n parsed_2m76 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -51.0 . . 39 . c . 40 . n . 40 . ca . 40 . c parsed_2m76 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.0 -30.0 . . 40 . n . 40 . ca . 40 . c . 41 . n parsed_2m76 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.4 -60.2 . . 40 . c . 41 . n . 41 . ca . 41 . c parsed_2m76 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.9 -8.7 . . 41 . n . 41 . ca . 41 . c . 42 . n parsed_2m76 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.3 -51.5 . . 41 . c . 42 . n . 42 . ca . 42 . c parsed_2m76 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.4 -6.2 . . 42 . n . 42 . ca . 42 . c . 43 . n parsed_2m76 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.6 -50.4 . . 42 . c . 43 . n . 43 . ca . 43 . c parsed_2m76 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.9 -16.7 . . 43 . n . 43 . ca . 43 . c . 44 . n parsed_2m76 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -52.0 . . 43 . c . 44 . n . 44 . ca . 44 . c parsed_2m76 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.0 -16.0 . . 44 . n . 44 . ca . 44 . c . 45 . n parsed_2m76 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.5 -51.7 . . 44 . c . 45 . n . 45 . ca . 45 . c parsed_2m76 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.2 -16.6 . . 45 . n . 45 . ca . 45 . c . 46 . n parsed_2m76 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.4 -52.8 . . 45 . c . 46 . n . 46 . ca . 46 . c parsed_2m76 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.6 -2.2 . . 46 . n . 46 . ca . 46 . c . 47 . n parsed_2m76 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.0 -49.0 . . 46 . c . 47 . n . 47 . ca . 47 . c parsed_2m76 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.0 5.0 . . 47 . n . 47 . ca . 47 . c . 48 . n parsed_2m76 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.0 -47.0 . . 47 . c . 48 . n . 48 . ca . 48 . c parsed_2m76 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.0 14.0 . . 48 . n . 48 . ca . 48 . c . 49 . n parsed_2m76 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . . 28 . N . 28 . CA . 28 . CB . 28 . CG parsed_2m76 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . . 42 . N . 42 . CA . 42 . CB . 42 . CG parsed_2m76 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 "Talos+, 2 stddev" 1 1 1 19 parsed_2m76 1
2
;
assign (resid 48 and name c) (resid 49 and name n)
(resid 49 and name ca) (resid 49 and name c) 1.0 -97.0 22.0 2
assign (resid 49 and name n) (resid 49 and name ca)
(resid 49 and name c) (resid 50 and name n) 1.0 0.0 38.0 2
experimental Chi1
;
128 1 134 20 parsed_2m76 1
stop_
save_
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