NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
639770 |
6a8y   |
cing | 2-parsed | STAR | dihedral angle | 40 |
data_6a8y_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6a8y
_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_6a8y 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6a8y
_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 6a8y "Master copy" parsed_6a8y
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6a8y
_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 6a8y.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6a8y 1
1 6a8y.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 40 parsed_6a8y 1
1 6a8y.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6a8y 1
stop_
save_
save_DYANA/DIANA_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6a8y
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_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 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.2 -48.2 . . 2 TYR . . . . . . . . . . . . . parsed_6a8y 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.1 -24.1 . . 2 TYR . . . . . . . . . . . . . parsed_6a8y 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.4 -39.4 . . 3 HIS . . . . . . . . . . . . . parsed_6a8y 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.9 -19.9 . . 3 HIS . . . . . . . . . . . . . parsed_6a8y 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.1 -31.1 . . 4 PHE . . . . . . . . . . . . . parsed_6a8y 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.8 -18.8 . . 4 PHE . . . . . . . . . . . . . parsed_6a8y 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.0 -46.0 . . 6 HIS . . . . . . . . . . . . . parsed_6a8y 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.6 -15.6 . . 6 HIS . . . . . . . . . . . . . parsed_6a8y 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.8 -37.8 . . 7 ARG . . . . . . . . . . . . . parsed_6a8y 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.8 -11.8 . . 7 ARG . . . . . . . . . . . . . parsed_6a8y 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.4 -39.4 . . 9 VAL . . . . . . . . . . . . . parsed_6a8y 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.2 -15.2 . . 9 VAL . . . . . . . . . . . . . parsed_6a8y 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.0 -52.0 . . 10 THR . . . . . . . . . . . . . parsed_6a8y 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.4 -14.4 . . 10 THR . . . . . . . . . . . . . parsed_6a8y 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.5 -39.5 . . 11 LYS . . . . . . . . . . . . . parsed_6a8y 1
16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.0 -12.0 . . 11 LYS . . . . . . . . . . . . . parsed_6a8y 1
17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.1 -35.1 . . 12 ARG . . . . . . . . . . . . . parsed_6a8y 1
18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.6 -14.6 . . 12 ARG . . . . . . . . . . . . . parsed_6a8y 1
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.9 -38.9 . . 13 SER . . . . . . . . . . . . . parsed_6a8y 1
20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -20.0 . . 13 SER . . . . . . . . . . . . . parsed_6a8y 1
21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.7 -44.7 . . 14 LEU . . . . . . . . . . . . . parsed_6a8y 1
22 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.2 -13.2 . . 14 LEU . . . . . . . . . . . . . parsed_6a8y 1
23 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.9 -38.9 . . 15 SER . . . . . . . . . . . . . parsed_6a8y 1
24 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.8 -9.8 . . 15 SER . . . . . . . . . . . . . parsed_6a8y 1
25 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.0 -104.0 . . 17 HIS . . . . . . . . . . . . . parsed_6a8y 1
26 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 128.4 178.4 . . 17 HIS . . . . . . . . . . . . . parsed_6a8y 1
27 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.3 -57.3 . . 18 ARG . . . . . . . . . . . . . parsed_6a8y 1
28 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.8 157.8 . . 18 ARG . . . . . . . . . . . . . parsed_6a8y 1
29 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.7 -37.7 . . 20 ARG . . . . . . . . . . . . . parsed_6a8y 1
30 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.3 -16.3 . . 20 ARG . . . . . . . . . . . . . parsed_6a8y 1
31 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.1 -36.1 . . 21 HIS . . . . . . . . . . . . . parsed_6a8y 1
32 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.5 -16.5 . . 21 HIS . . . . . . . . . . . . . parsed_6a8y 1
33 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.8 -37.8 . . 22 SER . . . . . . . . . . . . . parsed_6a8y 1
34 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.8 -11.8 . . 22 SER . . . . . . . . . . . . . parsed_6a8y 1
35 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.5 -41.5 . . 23 ARG . . . . . . . . . . . . . parsed_6a8y 1
36 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.8 -16.8 . . 23 ARG . . . . . . . . . . . . . parsed_6a8y 1
37 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.5 -40.5 . . 24 LEU . . . . . . . . . . . . . parsed_6a8y 1
38 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.2 -14.2 . . 24 LEU . . . . . . . . . . . . . parsed_6a8y 1
39 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -40.0 . . 25 GLN . . . . . . . . . . . . . parsed_6a8y 1
40 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.0 -16.0 . . 25 GLN . . . . . . . . . . . . . parsed_6a8y 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 "Restraints file 1: YR26_SDS.aco" 1 1 1 33 parsed_6a8y 1
2 "Torsion angle constraints" 2 1 2 28 parsed_6a8y 1
3 "generated from HA secondary chemical shifts" 3 1 3 45 parsed_6a8y 1
4 "5 TRP PHI -151.3 -101.3" 10 4 10 32 parsed_6a8y 1
5 "5 TRP PSI 112.1 162.1" 11 4 11 32 parsed_6a8y 1
stop_
save_
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