NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
631356 |
5yey   |
36116 | cing | 2-parsed | STAR | dihedral angle | 62 |
data_5yey_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5yey
_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_5yey 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5yey
_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 5yey "Master copy" parsed_5yey
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5yey
_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 5yey.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5yey 1
1 5yey.mr . . XPLOR/CNS 2 planarity "Not applicable" "Not applicable" 0 parsed_5yey 1
1 5yey.mr . . XPLOR/CNS 3 distance NOE simple 304 parsed_5yey 1
1 5yey.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 62 parsed_5yey 1
1 5yey.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 0 parsed_5yey 1
1 5yey.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5yey 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5yey
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 1 . O4' . 1 . C1' . 1 . N9 . 1 . C4 parsed_5yey 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 200.0 280.0 . . 2 . O4' . 2 . C1' . 2 . N9 . 2 . C4 parsed_5yey 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 200.0 280.0 . . 3 . O4' . 3 . C1' . 3 . N9 . 3 . C4 parsed_5yey 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 7 . O4' . 7 . C1' . 7 . N9 . 7 . C4 parsed_5yey 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 8 . O4' . 8 . C1' . 8 . N9 . 8 . C4 parsed_5yey 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 200.0 280.0 . . 9 . O4' . 9 . C1' . 9 . N9 . 9 . C4 parsed_5yey 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 13 . O4' . 13 . C1' . 13 . N9 . 13 . C4 parsed_5yey 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 200.0 280.0 . . 14 . O4' . 14 . C1' . 14 . N9 . 14 . C4 parsed_5yey 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 200.0 280.0 . . 15 . O4' . 15 . C1' . 15 . N9 . 15 . C4 parsed_5yey 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 19 . O4' . 19 . C1' . 19 . N9 . 19 . C4 parsed_5yey 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 20 . O4' . 20 . C1' . 20 . N9 . 20 . C4 parsed_5yey 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 200.0 280.0 . . 21 . O4' . 21 . C1' . 21 . N9 . 21 . C4 parsed_5yey 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 1 . H1' . 1 . C1' . 1 . N9 . 1 . C4 parsed_5yey 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 40.0 . . 2 . H1' . 2 . C1' . 2 . N9 . 2 . C4 parsed_5yey 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 40.0 . . 3 . H1' . 3 . C1' . 3 . N9 . 3 . C4 parsed_5yey 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 7 . H1' . 7 . C1' . 7 . N9 . 7 . C4 parsed_5yey 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 8 . H1' . 8 . C1' . 8 . N9 . 8 . C4 parsed_5yey 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 40.0 . . 9 . H1' . 9 . C1' . 9 . N9 . 9 . C4 parsed_5yey 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 13 . H1' . 13 . C1' . 13 . N9 . 13 . C4 parsed_5yey 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 40.0 . . 14 . H1' . 14 . C1' . 14 . N9 . 14 . C4 parsed_5yey 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 40.0 . . 15 . H1' . 15 . C1' . 15 . N9 . 15 . C4 parsed_5yey 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 19 . H1' . 19 . C1' . 19 . N9 . 19 . C4 parsed_5yey 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 20 . H1' . 20 . C1' . 20 . N9 . 20 . C4 parsed_5yey 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 40.0 . . 21 . H1' . 21 . C1' . 21 . N9 . 21 . C4 parsed_5yey 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 200.0 280.0 . . 4 . O4' . 4 . C1' . 4 . N1 . 4 . C2 parsed_5yey 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 40.0 . . 4 . H1' . 4 . C1' . 4 . N1 . 4 . C2 parsed_5yey 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 200.0 280.0 . . 5 . O4' . 5 . C1' . 5 . N1 . 5 . C2 parsed_5yey 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 40.0 . . 5 . H1' . 5 . C1' . 5 . N1 . 5 . C2 parsed_5yey 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 200.0 280.0 . . 6 . O4' . 6 . C1' . 6 . N9 . 6 . C4 parsed_5yey 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 40.0 . . 6 . H1' . 6 . C1' . 6 . N9 . 6 . C4 parsed_5yey 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 200.0 280.0 . . 10 . O4' . 10 . C1' . 10 . N1 . 10 . C2 parsed_5yey 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 40.0 . . 10 . H1' . 10 . C1' . 10 . N1 . 10 . C2 parsed_5yey 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 200.0 280.0 . . 11 . O4' . 11 . C1' . 11 . N1 . 11 . C2 parsed_5yey 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 40.0 . . 11 . H1' . 11 . C1' . 11 . N1 . 11 . C2 parsed_5yey 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 200.0 280.0 . . 12 . O4' . 12 . C1' . 12 . N9 . 12 . C4 parsed_5yey 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 40.0 . . 12 . H1' . 12 . C1' . 12 . N9 . 12 . C4 parsed_5yey 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 200.0 280.0 . . 16 . O4' . 16 . C1' . 16 . N1 . 16 . C2 parsed_5yey 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 40.0 . . 16 . H1' . 16 . C1' . 16 . N1 . 16 . C2 parsed_5yey 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 200.0 280.0 . . 17 . O4' . 17 . C1' . 17 . N1 . 17 . C2 parsed_5yey 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 40.0 . . 17 . H1' . 17 . C1' . 17 . N1 . 17 . C2 parsed_5yey 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 200.0 280.0 . . 18 . O4' . 18 . C1' . 18 . N1 . 18 . C2 parsed_5yey 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.0 40.0 . . 18 . H1' . 18 . C1' . 18 . N1 . 18 . C2 parsed_5yey 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 300.0 . . 1 . C4' . 1 . C3' . 1 . O3' . 2 . P parsed_5yey 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 300.0 . . 2 . C4' . 2 . C3' . 2 . O3' . 3 . P parsed_5yey 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 300.0 . . 3 . C4' . 3 . C3' . 3 . O3' . 4 . P parsed_5yey 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 300.0 . . 4 . C4' . 4 . C3' . 4 . O3' . 5 . P parsed_5yey 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 300.0 . . 5 . C4' . 5 . C3' . 5 . O3' . 6 . P parsed_5yey 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 300.0 . . 6 . C4' . 6 . C3' . 6 . O3' . 7 . P parsed_5yey 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 300.0 . . 7 . C4' . 7 . C3' . 7 . O3' . 8 . P parsed_5yey 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 300.0 . . 8 . C4' . 8 . C3' . 8 . O3' . 9 . P parsed_5yey 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 300.0 . . 9 . C4' . 9 . C3' . 9 . O3' . 10 . P parsed_5yey 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 300.0 . . 10 . C4' . 10 . C3' . 10 . O3' . 11 . P parsed_5yey 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 300.0 . . 11 . C4' . 11 . C3' . 11 . O3' . 12 . P parsed_5yey 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 300.0 . . 12 . C4' . 12 . C3' . 12 . O3' . 13 . P parsed_5yey 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 300.0 . . 13 . C4' . 13 . C3' . 13 . O3' . 14 . P parsed_5yey 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 300.0 . . 14 . C4' . 14 . C3' . 14 . O3' . 15 . P parsed_5yey 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 300.0 . . 15 . C4' . 15 . C3' . 15 . O3' . 16 . P parsed_5yey 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 300.0 . . 16 . C4' . 16 . C3' . 16 . O3' . 17 . P parsed_5yey 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 300.0 . . 17 . C4' . 17 . C3' . 17 . O3' . 18 . P parsed_5yey 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 300.0 . . 18 . C4' . 18 . C3' . 18 . O3' . 19 . P parsed_5yey 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 300.0 . . 19 . C4' . 19 . C3' . 19 . O3' . 20 . P parsed_5yey 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 300.0 . . 20 . C4' . 20 . C3' . 20 . O3' . 21 . P parsed_5yey 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
;
Chi dihedral
! 1 syn
;
2 1 5 9 parsed_5yey 1
2 "! 2 anti" 11 1 11 10 parsed_5yey 1
3 "! 3 anti" 17 1 17 10 parsed_5yey 1
4 "! 7 syn" 26 1 26 9 parsed_5yey 1
5 "! 8 syn" 32 1 32 9 parsed_5yey 1
6 "! 9 anti" 39 1 39 10 parsed_5yey 1
7 "! 13 syn" 48 1 48 10 parsed_5yey 1
8 "! 14 anti" 55 1 55 12 parsed_5yey 1
9 "! 15 anti" 62 1 62 11 parsed_5yey 1
10 "! 19 syn" 71 1 71 10 parsed_5yey 1
11 "! 20 syn" 78 1 78 10 parsed_5yey 1
12 "!21 anti" 85 1 85 10 parsed_5yey 1
13
;
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
Chi dihedral
! 1 syn
;
94 1 101 9 parsed_5yey 1
14 "! 2 anti" 107 1 107 10 parsed_5yey 1
15 "! 3 anti" 113 1 113 10 parsed_5yey 1
16 "! 7 syn" 123 1 123 9 parsed_5yey 1
17 "! 8 syn" 129 1 129 9 parsed_5yey 1
18 "! 9 anti" 136 1 136 11 parsed_5yey 1
19 "! 13 syn" 144 1 144 10 parsed_5yey 1
20 "! 14 anti" 151 1 151 11 parsed_5yey 1
21 "! 15 anti" 158 1 158 12 parsed_5yey 1
22 "! 19 syn" 165 1 165 11 parsed_5yey 1
23 "! 20 syn" 172 1 172 12 parsed_5yey 1
24 "!21 anti" 179 1 179 10 parsed_5yey 1
25
;
!!!!!!!!!!! T !!!!!!!!!!!
! 4
;
186 1 187 5 parsed_5yey 1
26 "!( 40.0)" 192 58 192 67 parsed_5yey 1
27 "! 5" 199 1 199 5 parsed_5yey 1
28 "!( 40.0)" 204 58 204 67 parsed_5yey 1
29 "! 6" 211 1 211 5 parsed_5yey 1
30 "! 10" 223 1 223 6 parsed_5yey 1
31 "! 11" 234 1 234 6 parsed_5yey 1
32 "! 12" 245 1 245 6 parsed_5yey 1
33 "!( 40.0)" 250 58 250 67 parsed_5yey 1
34 "! 16" 256 1 256 6 parsed_5yey 1
35 "! 17" 267 1 267 6 parsed_5yey 1
36 "! 18" 278 1 278 6 parsed_5yey 1
37 "!( 40.0)" 283 58 283 74 parsed_5yey 1
38
;
!!!!!!!!!!!!!!!!!!!!!!!!
e dihedral
! 1
;
289 1 295 5 parsed_5yey 1
39 "! 2" 301 1 301 5 parsed_5yey 1
40 "! 3" 307 1 307 5 parsed_5yey 1
41 "! 4" 314 1 314 5 parsed_5yey 1
42 "! 5" 320 1 320 5 parsed_5yey 1
43 "! 6" 326 1 326 5 parsed_5yey 1
44 "! 7" 333 1 333 5 parsed_5yey 1
45 "! 8" 339 1 339 5 parsed_5yey 1
46 "! 9" 346 1 346 5 parsed_5yey 1
47 "! 10" 353 1 353 6 parsed_5yey 1
48 "! 11" 360 1 360 6 parsed_5yey 1
49 "! 12" 366 1 366 6 parsed_5yey 1
50 "! 13" 373 1 373 6 parsed_5yey 1
51 "! 14" 380 1 380 6 parsed_5yey 1
52 "! 15" 387 1 387 6 parsed_5yey 1
53 "! 16" 394 1 394 6 parsed_5yey 1
54 "! 17" 400 1 400 6 parsed_5yey 1
55 "! 18" 407 1 407 6 parsed_5yey 1
56 "! 19" 414 1 414 6 parsed_5yey 1
57 "! 20" 421 1 421 6 parsed_5yey 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "# Restraints file 3: dihe.tbl" 1 1 1 29 parsed_5yey 1
stop_
save_
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