NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | program | type | item_count |
|
|
28937 |
1ab7   |
cing | recoord | dress | 2-parsed | STAR | dihedral angle | 59 |
data_1ab7_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1ab7
_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_1ab7 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1ab7
_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 1ab7 "Master copy" parsed_1ab7
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1ab7
_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 1ab7.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1ab7 1
1 1ab7.mr . . XPLOR/CNS 2 distance NOE simple 1527 parsed_1ab7 1
1 1ab7.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 50 parsed_1ab7 1
1 1ab7.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1ab7 1
1 1ab7.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 59 parsed_1ab7 1
1 1ab7.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1ab7 1
1 1ab7.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1ab7 1
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1ab7
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 1 . c . 2 . n . 2 . ca . 2 . c parsed_1ab7 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_1ab7 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_1ab7 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 4 . c . 5 . n . 5 . ca . 5 . c parsed_1ab7 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_1ab7 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_1ab7 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_1ab7 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_1ab7 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_1ab7 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 18 . c . 19 . n . 19 . ca . 19 . c parsed_1ab7 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_1ab7 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_1ab7 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_1ab7 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_1ab7 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_1ab7 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 33 . c . 34 . n . 34 . ca . 34 . c parsed_1ab7 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 34 . c . 35 . n . 35 . ca . 35 . c parsed_1ab7 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_1ab7 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 36 . c . 37 . n . 37 . ca . 37 . c parsed_1ab7 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 37 . c . 38 . n . 38 . ca . 38 . c parsed_1ab7 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 38 . c . 39 . n . 39 . ca . 39 . c parsed_1ab7 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 39 . c . 40 . n . 40 . ca . 40 . c parsed_1ab7 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 40 . c . 41 . n . 41 . ca . 41 . c parsed_1ab7 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 41 . c . 42 . n . 42 . ca . 42 . c parsed_1ab7 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 44 . c . 45 . n . 45 . ca . 45 . c parsed_1ab7 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 46 . c . 47 . n . 47 . ca . 47 . c parsed_1ab7 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 48 . c . 49 . n . 49 . ca . 49 . c parsed_1ab7 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 50 . c . 51 . n . 51 . ca . 51 . c parsed_1ab7 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 56 . c . 57 . n . 57 . ca . 57 . c parsed_1ab7 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 60 . c . 61 . n . 61 . ca . 61 . c parsed_1ab7 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 62 . c . 63 . n . 63 . ca . 63 . c parsed_1ab7 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 66 . c . 67 . n . 67 . ca . 67 . c parsed_1ab7 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 70 . c . 71 . n . 71 . ca . 71 . c parsed_1ab7 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 71 . c . 72 . n . 72 . ca . 72 . c parsed_1ab7 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 74 . c . 75 . n . 75 . ca . 75 . c parsed_1ab7 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 75 . c . 76 . n . 76 . ca . 76 . c parsed_1ab7 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 76 . c . 77 . n . 77 . ca . 77 . c parsed_1ab7 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -20.0 . . 81 . c . 82 . n . 82 . ca . 82 . c parsed_1ab7 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 83 . c . 84 . n . 84 . ca . 84 . c parsed_1ab7 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 86 . c . 87 . n . 87 . ca . 87 . c parsed_1ab7 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 1 . n . 2 . ca . 2 . cb . 2 . cg parsed_1ab7 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 5 . n . 6 . ca . 6 . cb . 6 . cg parsed_1ab7 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 10 . n . 11 . ca . 11 . cb . 11 . cg parsed_1ab7 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 14 . n . 15 . ca . 15 . cb . 15 . cg parsed_1ab7 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 16 . n . 17 . ca . 17 . cb . 17 . cg parsed_1ab7 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 19 . n . 20 . ca . 20 . cb . 20 . cg parsed_1ab7 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 23 . n . 24 . ca . 24 . cb . 24 . cg parsed_1ab7 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 25 . n . 26 . ca . 26 . cb . 26 . cg parsed_1ab7 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 28 . n . 29 . ca . 29 . cb . 29 . cg parsed_1ab7 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 34 . n . 35 . ca . 35 . cb . 35 . cg parsed_1ab7 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 38 . n . 39 . ca . 39 . cb . 39 . cg parsed_1ab7 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 46 . n . 47 . ca . 47 . cb . 47 . cg parsed_1ab7 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 50 . n . 51 . ca . 51 . cb . 51 . cg parsed_1ab7 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 51 . n . 52 . ca . 52 . cb . 52 . cg parsed_1ab7 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 57 . n . 58 . ca . 58 . cb . 58 . cg parsed_1ab7 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 73 . n . 74 . ca . 74 . cb . 74 . cg parsed_1ab7 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 74 . n . 75 . ca . 75 . cb . 75 . cg parsed_1ab7 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 77 . n . 78 . ca . 78 . cb . 78 . cg parsed_1ab7 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 79 . n . 80 . ca . 80 . cb . 80 . cg parsed_1ab7 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
;
! Phi restraints: -50 +/- 30 degrees for J < 5 Hz
! Phi restraints: -120 +/- 40 degrees for J > 8.5 Hz
;
1 1 2 54 parsed_1ab7 1
2 "! Chi restraints: deviation = 60 degrees" 83 1 83 42 parsed_1ab7 1
stop_
save_
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