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
	588484	2mtp	25176	cing	2-parsed	STAR	distance	NOE	ambi

data_2mtp_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2mtp 
    _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_2mtp   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2mtp 
    _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   2mtp   "Master copy"    parsed_2mtp   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2mtp 
    _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   2mtp.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_2mtp   1   
        1   2mtp.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             813   parsed_2mtp   1   
        1   2mtp.mr   .   .    XPLOR/CNS     3   "dihedral angle"          "Not applicable"    "Not applicable"    124   parsed_2mtp   1   
        1   2mtp.mr   .   .    XPLOR/CNS     4    distance                  NOE                 simple             523   parsed_2mtp   1   
        1   2mtp.mr   .   .    XPLOR/CNS     5    distance                  NOE                 ambi                 0   parsed_2mtp   1   
        1   2mtp.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_2mtp   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_5
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2mtp 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type     NOE 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            5 
    _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
    ((hydro or name n* or name o*)
    and (residue 716 or residue 717 or residue 718 or residue 719 or residue 720
    or residue 721 or residue 722 or residue 723 or residue 724 or residue 725))
    (residue 2239 and (hydro or name n* or name o*))
    4.0 2.2 1.0 
;
    2   1    7   15   parsed_2mtp   1   
        2   
;
assign
    ((hydro or name n* or name o*)
    and (residue 716 or residue 717 or residue 718 or residue 719 or residue 720
    or residue 721 or residue 722 or residue 723 or residue 724 or residue 725))
    (residue 2240 and (hydro or name n* or name o*))
    4.0 2.2 1.0 
;
    9   1   14   15   parsed_2mtp   1   
        3   
;
assign
    ((hydro or name n* or name o*)
    and (residue 993 or residue 994 or residue 995 or residue 996 or residue 997))
    (residue 2276 and (hydro or name n* or name o*))
    4.0 2.2 2.0
;
   15   1   19   15   parsed_2mtp   1   
        4   
;
assign
    ((hydro or name n* or name o*)
    and ((residue 716 or residue 717 or residue 718 or residue 719 or residue 720
    or residue 721 or residue 722 or residue 723 or residue 724 or residue 725))
    (residue 2312 and (hydro or name n* or name o*))
    4.0 2.2 1.0 
;
   21   1   26   15   parsed_2mtp   1   
        5   
;
assign
    ((hydro or name n* or name o*)
    and (residue 990 or residue 991 or residue 992
    or residue 993 or residue 994 or residue 995 or residue 996))
    (residue 2312 and (hydro or name n* or name o*))
    4.0 2.2 2.0
;
   27   1   32   15   parsed_2mtp   1   
    stop_

save_

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