NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
636689 |
6ctg   |
30443 | cing | 2-parsed | STAR | dihedral angle | 16 |
data_6ctg_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6ctg
_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_6ctg 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6ctg
_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 6ctg "Master copy" parsed_6ctg
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6ctg
_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 6ctg.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6ctg 1
1 6ctg.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 16 parsed_6ctg 1
1 6ctg.mr . . XPLOR/CNS 3 distance NOE simple 0 parsed_6ctg 1
1 6ctg.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6ctg 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6ctg
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111.988 -51.988 . . 1 . c . 2 . n . 2 . ca . 2 . c parsed_6ctg 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.232 -33.232 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_6ctg 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.111 -34.111 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_6ctg 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.839 -33.839 . . 4 . c . 5 . n . 5 . ca . 5 . c parsed_6ctg 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.278 -64.278 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_6ctg 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147.203 -87.203 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_6ctg 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.341 -109.341 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_6ctg 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.989 -60.989 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_6ctg 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -43.232 16.768 . . 2 . n . 2 . ca . 2 . c . 3 . n parsed_6ctg 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.240 -14.240 . . 3 . n . 3 . ca . 3 . c . 4 . n parsed_6ctg 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.018 -15.018 . . 4 . n . 4 . ca . 4 . c . 5 . n parsed_6ctg 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.422 -2.422 . . 5 . n . 5 . ca . 5 . c . 6 . n parsed_6ctg 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -41.625 18.375 . . 6 . n . 6 . ca . 6 . c . 7 . n parsed_6ctg 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.025 184.025 . . 7 . n . 7 . ca . 7 . c . 8 . n parsed_6ctg 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.770 182.770 . . 8 . n . 8 . ca . 8 . c . 9 . n parsed_6ctg 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.069 167.069 . . 9 . n . 9 . ca . 9 . c . 10 . n parsed_6ctg 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
MONOMER A
;
2 1 3 11 parsed_6ctg 1
2
;
PSi
MONOMER A
;
20 1 22 11 parsed_6ctg 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 1: phiepsi.tbl" 1 1 1 32 parsed_6ctg 1
stop_
save_
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