NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image	mrblock_id	pdb_id	bmrb_id	cing	stage	program	type	subtype	subsubtype
	562327	2lwi	18629	cing	2-parsed	STAR	distance	general distance	simple

data_2lwi_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2lwi 
    _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_2lwi   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2lwi 
    _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   2lwi   "Master copy"    parsed_2lwi   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2lwi 
    _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   2lwi.mr   .   .   "MR format"    1    comment                  "Not applicable"      "Not applicable"    0   parsed_2lwi   1   
        1   2lwi.mr   .   .    DYANA/DIANA   2    distance                 "general distance"     simple             0   parsed_2lwi   1   
        1   2lwi.mr   .   .    DYANA/DIANA   3    distance                  NOE                   simple             0   parsed_2lwi   1   
        1   2lwi.mr   .   .    DYANA/DIANA   4   "dihedral angle"          "Not applicable"      "Not applicable"    0   parsed_2lwi   1   
        1   2lwi.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"      "Not applicable"    0   parsed_2lwi   1   
    stop_

save_


save_DYANA/DIANA_distance_constraints_2
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2lwi 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type    "general distance" 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            2 
    _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   "246 MG   ME    219 GNP  O2G     1.89  5E01"     1   1    1   43   parsed_2lwi   1   
         2   "246 MG   ME    219 GNP  O2B     2.19  5E01"     2   1    2   43   parsed_2lwi   1   
         3   "246 MG   ME     17 SER  OG      2.20  5E01"     3   1    3   43   parsed_2lwi   1   
         4   "246 MG   ME    252 WAT  O       2.09  5E01"     4   1    4   43   parsed_2lwi   1   
         5   "246 MG   ME    258 WAT  O       2.28  5E01"     5   1    5   43   parsed_2lwi   1   
         6   "246 MG   ME    264 WAT  O       2.16  5E01"     6   1    6   43   parsed_2lwi   1   
         7   "17 SER  OG    219 GNP  O2G     4.04  5E01"      7   2    7   43   parsed_2lwi   1   
         8   "17 SER  OG    219 GNP  O2B     2.96  5E01"      8   2    8   43   parsed_2lwi   1   
         9   "17 SER  OG    252 WAT  O       2.94  5E01"      9   2    9   43   parsed_2lwi   1   
        10   "17 SER  OG    258 WAT  O       3.03  5E01"     10   2   10   43   parsed_2lwi   1   
        11   "17 SER  OG    264 WAT  O       3.01  5E01"     11   2   11   43   parsed_2lwi   1   
        12   "219 GNP  O2B   219 GNP  O2G     2.92  5E01"    12   1   12   43   parsed_2lwi   1   
        13   "219 GNP  O2B   252 WAT  O       3.16  5E01"    13   1   13   43   parsed_2lwi   1   
        14   "219 GNP  O2B   258 WAT  O       2.98  5E01"    14   1   14   43   parsed_2lwi   1   
        15   "219 GNP  O2B   264 WAT  O       4.29  5E01"    15   1   15   43   parsed_2lwi   1   
        16   "219 GNP  O2G   252 WAT  O       2.90  5E01"    16   1   16   43   parsed_2lwi   1   
        17   "219 GNP  O2G   258 WAT  O       3.01  5E01"    17   1   17   43   parsed_2lwi   1   
        18   "219 GNP  O2G   264 WAT  O       2.95  5E01"    18   1   18   43   parsed_2lwi   1   
        19   "252 WAT  O     258 WAT  O       4.31  5E01"    19   1   19   43   parsed_2lwi   1   
        20   "252 WAT  O     264 WAT  O       2.89  5E01"    20   1   20   43   parsed_2lwi   1   
        21   "258 WAT  O     264 WAT  O       3.19  5E01"    21   1   21   43   parsed_2lwi   1   
    stop_

save_

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