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
	595274	2n28	25591	cing	2-parsed	STAR	distance	PRE

data_2n28_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2n28 
    _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_2n28   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2n28 
    _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   2n28   "Master copy"    parsed_2n28   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2n28 
    _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   2n28.mr   .   .   "MR format"    1    comment                  "Not applicable"      "Not applicable"     0   parsed_2n28   1   
        1   2n28.mr   .   .    XPLOR/CNS     2   "dihedral angle"          "Not applicable"      "Not applicable"    90   parsed_2n28   1   
        1   2n28.mr   .   .    XPLOR/CNS     3   "dipolar coupling"        "Not applicable"      "Not applicable"    57   parsed_2n28   1   
        1   2n28.mr   .   .    XPLOR/CNS     4    distance                 "general distance"     simple             16   parsed_2n28   1   
        1   2n28.mr   .   .    XPLOR/CNS     5    distance                  PRE                  "Not applicable"     0   parsed_2n28   1   
        1   2n28.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"      "Not applicable"     0   parsed_2n28   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_5
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2n28 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type     PRE 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            5 
    _Distance_constraint_list.Details            "Generated by Wattos" 

    loop_
        _Dist_constraint_comment_org.ID 
        _Dist_constraint_comment_org.Comment_text 
        _Dist_constraint_comment_org.Comment_begin_line 
        _Dist_constraint_comment_org.Comment_begin_column 
        _Dist_constraint_comment_org.Comment_end_line 
        _Dist_constraint_comment_org.Comment_end_column 
        _Dist_constraint_comment_org.Entry_ID 
        _Dist_constraint_comment_org.Distance_constraint_list_ID 

        1   
;
R
assign (resid   30   and name HG#  )   1 4.0   4.0
;
   41   1   42   52   parsed_2n28   1   
    stop_


    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   64  and name HG#  )   2.5 2.5   2"     6   1    6   49   parsed_2n28   1   
         2   "assign (resid   68  and name HG#  )   3 3   2"         7   1    7   45   parsed_2n28   1   
         3   "assign (resid   78  and name HG#  )   3 3   2"         8   1    8   45   parsed_2n28   1   
         4   "assign (resid   74  and name HA   )   9 5   5"        10   1   10   45   parsed_2n28   1   
         5   "assign (resid   7   and name HA   )   -20 15   5"     11   1   11   48   parsed_2n28   1   
         6   "assign (resid   56  and name HA  )   1 3   3"         17   1   17   44   parsed_2n28   1   
         7   "assign (resid   52  and name HA  )   0 3   3"         18   1   18   44   parsed_2n28   1   
         8   "assign (resid   61  and name HA  )   3 2   2"         19   1   19   44   parsed_2n28   1   
         9   "assign (resid   81   and name HG  )   2.5 4   4"      36   1   36   47   parsed_2n28   1   
        10   "assign (resid   76   and name HB#  )   5.5 5.5 4"     40   1   40   48   parsed_2n28   1   
    stop_

save_

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