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
277219 2kbh cing 2-parsed STAR distance disulfide bond simple 

data_2kbh_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2kbh 
    _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_2kbh   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2kbh 
    _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   2kbh   "Master copy"    parsed_2kbh   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2kbh 
    _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   2kbh.mr   .   .   "MR format"     1    comment                       "Not applicable"    "Not applicable"      0   parsed_2kbh   1   
        1   2kbh.mr   .   .    DYANA/DIANA    2    distance                       NOE                 simple             443   parsed_2kbh   1   
        1   2kbh.mr   .   .    DYANA/DIANA    3    distance                      "disulfide bond"     simple              12   parsed_2kbh   1   
        1   2kbh.mr   .   .    DYANA/DIANA    4    distance                      "hydrogen bond"      simple              54   parsed_2kbh   1   
        1   2kbh.mr   .   .    DYANA/DIANA    5    distance                       NOE                 simple              97   parsed_2kbh   1   
        1   2kbh.mr   .   .    XPLOR/CNS      6    distance                      "disulfide bond"     simple               0   parsed_2kbh   1   
        1   2kbh.mr   .   .    DYANA/DIANA    7    distance                      "hydrogen bond"      simple               0   parsed_2kbh   1   
        1   2kbh.mr   .   .    DYANA/DIANA    8    distance                       NOE                 simple               0   parsed_2kbh   1   
        1   2kbh.mr   .   .    DYANA/DIANA    9   "dihedral angle"               "Not applicable"    "Not applicable"      0   parsed_2kbh   1   
        1   2kbh.mr   .   .    unknown       10   "stereospecific assignment"    "Not applicable"    "Not applicable"      0   parsed_2kbh   1   
        1   2kbh.mr   .   .   "MR format"    11   "nomenclature mapping"         "Not applicable"    "Not applicable"      0   parsed_2kbh   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_6
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2kbh 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type    "disulfide bond" 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            6 
    _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   
;
12 CYSS SG     63 CYSS SG      2.00 
 12 CYSS SG     63 CYSS CB      3.00 
 12 CYSS CB     63 CYSS SG      3.00 
 16 CYSS SG     36 CYSS SG      2.00 
 16 CYSS SG     36 CYSS CB      3.00 
 16 CYSS CB     36 CYSS SG      3.00 
 22 CYSS SG     46 CYSS SG      2.00 
 22 CYSS SG     46 CYSS CB      3.00 
 22 CYSS CB     46 CYSS SG      3.00 
 26 CYSS SG     48 CYSS SG      2.00 
 26 CYSS SG     48 CYSS CB      3.00 
 26 CYSS CB     48 CYSS SG      3.00 
;
   1   2   12   36   parsed_2kbh   1   
    stop_

save_

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