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
	561423	2lut	18540	cing	2-parsed	STAR	distance	hydrogen bond	simple

data_2lut_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2lut 
    _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_2lut   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2lut 
    _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   2lut   "Master copy"    parsed_2lut   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2lut 
    _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   2lut.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_2lut   1   
        1   2lut.mr   .   .    DYANA/DIANA   2    distance                  NOE                 simple             3738   parsed_2lut   1   
        1   2lut.mr   .   .    DYANA/DIANA   3   "dihedral angle"          "Not applicable"    "Not applicable"     108   parsed_2lut   1   
        1   2lut.mr   .   .    DYANA/DIANA   4    distance                 "hydrogen bond"      simple                0   parsed_2lut   1   
        1   2lut.mr   .   .    XEASY         5    peak                     "Not applicable"    "Not applicable"       0   parsed_2lut   1   
        1   2lut.mr   .   .    unknown       6    unknown                  "Not applicable"    "Not applicable"       0   parsed_2lut   1   
        1   2lut.mr   .   .   "MR format"    7   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_2lut   1   
    stop_

save_


save_DYANA/DIANA_distance_constraints_4
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2lut 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type    "hydrogen bond" 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            4 
    _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   
;
assign (resid 34 and name O ) (resid 53 and name N ) 3.3 1.1 0.0
assign (resid 34 and name O ) (resid 53 and name H ) 2.2 0.4 0.0

assign (resid 37 and name O ) (resid 27 and name N ) 3.3 1.1 0.0
assign (resid 37 and name O ) (resid 27 and name H ) 2.2 0.4 0.0

assign (resid 84 and name O ) (resid 103 and name N ) 3.3 1.1 0.0
assign (resid 84 and name O ) (resid 103 and name H ) 2.2 0.4 0.0

assign (resid 86 and name O ) (resid 101 and name N ) 3.3 1.1 0.0
assign (resid 86 and name O ) (resid 101 and name H ) 2.2 0.4 0.0

assign (resid 82 and name O ) (resid 105 and name N ) 3.3 1.1 0.0
assign (resid 82 and name O ) (resid 105 and name H ) 2.2 0.4 0.0

;
   1   1   15   65   parsed_2lut   1   
    stop_

save_

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