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
	585687	2mpm	19989	cing	2-parsed	STAR	distance	hydrogen bond	simple

data_2mpm_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2mpm 
    _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_2mpm   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2mpm 
    _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   2mpm   "Master copy"    parsed_2mpm   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2mpm 
    _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   2mpm.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"     0   parsed_2mpm   1   
        1   2mpm.mr   .   .    XPLOR/CNS     2   "dihedral angle"          "Not applicable"    "Not applicable"    58   parsed_2mpm   1   
        1   2mpm.mr   .   .    XPLOR/CNS     3    distance                 "hydrogen bond"      simple              0   parsed_2mpm   1   
        1   2mpm.mr   .   .    XPLOR/CNS     4    distance                  NOE                 ambi                0   parsed_2mpm   1   
        1   2mpm.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_2mpm   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_3
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2mpm 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type    "hydrogen bond" 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            3 
    _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   "#Hydrogen bonds"                                                               1   1    1   15   parsed_2mpm   1   
         2   "assign (resid 23 and name N) (resid 23 and name HN) (resid 19 and name O)"     2   1    2   73   parsed_2mpm   1   
         3   "assign (resid 39 and name N) (resid 39 and name HN) (resid 51 and name O)"     3   1    3   73   parsed_2mpm   1   
         4   "assign (resid 55 and name N) (resid 55 and name HN) (resid 52 and name O)"     4   1    4   73   parsed_2mpm   1   
         5   "assign (resid 59 and name N) (resid 59 and name HN) (resid 56 and name O)"     5   1    5   73   parsed_2mpm   1   
         6   "assign (resid 64 and name N) (resid 64 and name HN) (resid 60 and name O)"     6   1    6   73   parsed_2mpm   1   
         7   "assign (resid 65 and name N) (resid 65 and name HN) (resid 61 and name O)"     7   1    7   73   parsed_2mpm   1   
         8   "assign (resid 65 and name N) (resid 65 and name HN) (resid 62 and name O)"     8   1    8   73   parsed_2mpm   1   
         9   "assign (resid 66 and name N) (resid 66 and name HN) (resid 63 and name O)"     9   1    9   73   parsed_2mpm   1   
        10   "assign (resid 64 and name N) (resid 64 and name HN) (resid 61 and name O)"    10   1   10   73   parsed_2mpm   1   
        11   "assign (resid 61 and name N) (resid 61 and name HN) (resid 58 and name O)"    11   1   11   73   parsed_2mpm   1   
        12   "assign (resid 60 and name N) (resid 60 and name HN) (resid 57 and name O)"    12   1   12   73   parsed_2mpm   1   
    stop_

save_

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