NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)
image mrblock_id pdb_id cing stage program type subtype subsubtype
50286 2jzr cing 2-parsed STAR distance disulfide bond simple 

data_2jzr_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2jzr 
    _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_2jzr   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2jzr 
    _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   2jzr   "Master copy"    parsed_2jzr   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2jzr 
    _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   2jzr.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_2jzr   1   
        1   2jzr.mr   .   .    DYANA/DIANA   2   "dihedral angle"          "Not applicable"    "Not applicable"     576   parsed_2jzr   1   
        1   2jzr.mr   .   .    DYANA/DIANA   3    distance                 "hydrogen bond"      simple              156   parsed_2jzr   1   
        1   2jzr.mr   .   .    DYANA/DIANA   4    distance                  NOE                 simple             2142   parsed_2jzr   1   
        1   2jzr.mr   .   .    XPLOR/CNS     5    distance                 "disulfide bond"     simple                0   parsed_2jzr   1   
        1   2jzr.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_2jzr   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_5
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2jzr 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type    "disulfide bond" 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            5 
    _Distance_constraint_list.Details            "Generated by Wattos" 

    loop_
        _Dist_constraint_parse_err.ID 
        _Dist_constraint_parse_err.Content 
        _Dist_constraint_parse_err.Begin_line 
        _Dist_constraint_parse_err.Begin_column 
        _Dist_constraint_parse_err.End_line 
        _Dist_constraint_parse_err.End_column 
        _Dist_constraint_parse_err.Entry_ID 
        _Dist_constraint_parse_err.Distance_constraint_list_ID 

        1   
;
36	CYSS	SG	39
36	CYSS	SG	39	CYSS	CB	3.10
36	CYSS	CB	39	CYSS	SG	3.10
;
   2   1   4   52   parsed_2jzr   1   
    stop_

save_

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