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
	594986	2mxb	25396	cing	2-parsed	STAR	comment

data_2mxb_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2mxb 
    _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_2mxb   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2mxb 
    _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   2mxb   "Master copy"    parsed_2mxb   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2mxb 
    _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   2mxb.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"     0   parsed_2mxb   1   
        1   2mxb.mr   .   .    XPLOR/CNS     2   "dihedral angle"          "Not applicable"    "Not applicable"    90   parsed_2mxb   1   
        1   2mxb.mr   .   .   "MR format"    3    comment                  "Not applicable"    "Not applicable"     0   parsed_2mxb   1   
        1   2mxb.mr   .   .    XPLOR/CNS     4    distance                  NOE                 simple              0   parsed_2mxb   1   
        1   2mxb.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_2mxb   1   
    stop_

save_


save_MR_file_comment_3
    _Org_constr_file_comment.Sf_category         org_constr_file_comment 
    _Org_constr_file_comment.Entry_ID            parsed_2mxb 
    _Org_constr_file_comment.ID                  1 
    _Org_constr_file_comment.Constraint_file_ID  1 
    _Org_constr_file_comment.Block_ID            3 
    _Org_constr_file_comment.Details            "Generated by Wattos" 
    _Org_constr_file_comment.Comment            
;
assign ( residue  20 and name n  )( residue   20 and name hn ) ( residue   16  and name O )
assign ( residue  21 and name n  )( residue   21 and name hn ) ( residue   17  and name O )
assign ( residue  22 and name n  )( residue   22 and name hn ) ( residue   18  and name O )
assign ( residue  23 and name n  )( residue   23 and name hn ) ( residue   19  and name O )
assign ( residue  24 and name n  )( residue   24 and name hn ) ( residue   20  and name O )
assign ( residue  25 and name n  )( residue   25 and name hn ) ( residue   21  and name O )
assign ( residue  26 and name n  )( residue   26 and name hn ) ( residue   22  and name O )
assign ( residue  27 and name n  )( residue   27 and name hn ) ( residue   23  and name O )
assign ( residue  28 and name n  )( residue   28 and name hn ) ( residue   24  and name O )
assign ( residue  29 and name n  )( residue   29 and name hn ) ( residue   25  and name O )
assign ( residue  30 and name n  )( residue   30 and name hn ) ( residue   26  and name O )
assign ( residue  31 and name n  )( residue   31 and name hn ) ( residue   27  and name O )
assign ( residue  32 and name n  )( residue   32 and name hn ) ( residue   28  and name O )
assign ( residue  33 and name n  )( residue   33 and name hn ) ( residue   29  and name O )
assign ( residue  34 and name n  )( residue   34 and name hn ) ( residue   30  and name O )
assign ( residue  35 and name n  )( residue   35 and name hn ) ( residue   31  and name O )
assign ( residue  36 and name n  )( residue   36 and name hn ) ( residue   32  and name O )
assign ( residue  38 and name n  )( residue   38 and name hn ) ( residue   34  and name O )
assign ( residue  40 and name n  )( residue   40 and name hn ) ( residue   36  and name O )
assign ( residue  44 and name n  )( residue   44 and name hn ) ( residue   40  and name O )
assign ( residue  45 and name n  )( residue   45 and name hn ) ( residue   41  and name O )
;

save_

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