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
582059 2mtk 25164 cing 2-parsed STAR distance general distance simple


data_2mtk_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2mtk 
    _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_2mtk   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2mtk 
    _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   2mtk   "Master copy"    parsed_2mtk   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2mtk 
    _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   2mtk.mr   .   .   "MR format"    1    comment                  "Not applicable"      "Not applicable"       0   parsed_2mtk   1   
        1   2mtk.mr   .   .    XPLOR/CNS     2   "dihedral angle"          "Not applicable"      "Not applicable"     160   parsed_2mtk   1   
        1   2mtk.mr   .   .    XPLOR/CNS     3    distance                  NOE                   simple             1891   parsed_2mtk   1   
        1   2mtk.mr   .   .    DYANA/DIANA   4    distance                 "general distance"     simple                0   parsed_2mtk   1   
        1   2mtk.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"      "Not applicable"       0   parsed_2mtk   1   
    stop_

save_


save_DYANA/DIANA_distance_constraints_4
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2mtk 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type    "general distance" 
    _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 (segid J345 and resid 30 and name O2P) (segid MG1 and resid 1 and name MG) 2.0 0.2 0.2
assign (segid J345 and resid 28 and name H1) (segid MG1 and resid 1 and name MG) 5.0 3.2 0.0 
assign (segid J345 and resid 28 and name N1) (segid MG1 and resid 1 and name MG) 5.0 3.2 0.0 
assign (segid J345 and resid 30 and name H8) (segid MG1 and resid 1 and name MG) 7.0 5.2 0.0
assign (segid J345 and resid 30 and name C8) (segid MG1 and resid 1 and name MG) 7.0 5.2 0.0
assign (segid J345 and resid 14 and name H3) (segid MG3 and resid 3 and name MG) 7.0 5.2 0.0
assign (segid J345 and resid 14 and name N3) (segid MG3 and resid 3 and name MG) 7.0 5.2 0.0
assign (segid J345 and resid 15 and name H3) (segid MG3 and resid 3 and name MG) 7.0 5.2 0.0
assign (segid J345 and resid 15 and name N3) (segid MG3 and resid 3 and name MG) 7.0 5.2 0.0
assign (segid J345 and resid 16 and name H8) (segid MG3 and resid 3 and name MG) 7.0 5.2 0.0
assign (segid J345 and resid 16 and name C8) (segid MG3 and resid 3 and name MG) 7.0 5.2 0.0
assign (segid J345 and resid 21 and name H8) (segid MG4 and resid 4 and name MG) 7.0 5.2 0.0
assign (segid J345 and resid 21 and name C8) (segid MG4 and resid 4 and name MG) 7.0 5.2 0.0
assign (segid J345 and resid 38 and name H8) (segid MG5 and resid 5 and name MG) 7.0 5.2 0.0
assign (segid J345 and resid 38 and name C8) (segid MG5 and resid 5 and name MG) 7.0 5.2 0.0
assign (segid J345 and resid 42 and name H8) (segid MG6 and resid 6 and name MG) 7.0 5.2 0.0
assign (segid J345 and resid 42 and name C8) (segid MG6 and resid 6 and name MG) 7.0 5.2 0.0
assign (segid J345 and resid 43 and name H8) (segid MG6 and resid 6 and name MG) 7.0 5.2 0.0
assign (segid J345 and resid 43 and name C8) (segid MG6 and resid 6 and name MG) 7.0 5.2 0.0
assign (segid J345 and resid 17 and name H8) (segid MG3 and resid 3 and name MG) 8.0 6.2 0.0
assign (segid J345 and resid 17 and name C8) (segid MG3 and resid 3 and name MG) 8.0 6.2 0.0
assign (segid J345 and resid 41 and name H6) (segid MG6 and resid 6 and name MG) 8.0 6.2 0.0
assign (segid J345 and resid 41 and name C6) (segid MG6 and resid 6 and name MG) 8.0 6.2 0.0
assign (segid J345 and resid 41 and name H5) (segid MG6 and resid 6 and name MG) 8.0 6.2 0.0
assign (segid J345 and resid 41 and name C5) (segid MG6 and resid 6 and name MG) 8.0 6.2 0.0
assign (segid J345 and resid 41 and name H2') (segid MG6 and resid 6 and name MG) 8.0 6.2 0.0
assign (segid J345 and resid 41 and name C2') (segid MG6 and resid 6 and name MG) 8.0 6.2 0.0
assign (segid J345 and resid 42 and name H3') (segid MG6 and resid 6 and name MG) 8.0 6.2 0.0
assign (segid J345 and resid 42 and name C3') (segid MG6 and resid 6 and name MG) 8.0 6.2 0.0
assign (segid J345 and resid 41 and name H3) (segid MG6 and resid 6 and name MG) 8.0 6.2 0.0
assign (segid J345 and resid 41 and name N3) (segid MG6 and resid 6 and name MG) 8.0 6.2 0.0
assign (segid J345 and resid 28 and name H2') (segid MG1 and resid 1 and name MG) 8.0 6.2 0.0
assign (segid J345 and resid 28 and name C2') (segid MG1 and resid 1 and name MG) 8.0 6.2 0.0
assign (segid J345 and resid 28 and name H8) (segid MG1 and resid 1 and name MG) 8.0 6.2 0.0
assign (segid J345 and resid 28 and name C8) (segid MG1 and resid 1 and name MG) 8.0 6.2 0.0
assign (segid J345 and resid 26 and name H8) (segid MG2 and resid 2 and name MG) 8.0 6.2 0.0
assign (segid J345 and resid 26 and name C8) (segid MG2 and resid 2 and name MG) 8.0 6.2 0.0
assign (segid J345 and resid 33 and name H5) (segid MG2 and resid 2 and name MG) 8.0 6.2 0.0
assign (segid J345 and resid 33 and name C5) (segid MG2 and resid 2 and name MG) 8.0 6.2 0.0
assign (segid J345 and resid 9 and name H42) (segid MG4 and resid 4 and name MG) 8.0 6.2 0.0
assign (segid J345 and resid 9 and name N4) (segid MG4 and resid 4 and name MG)  8.0 6.2 0.0
assign (segid J345 and resid 9 and name H5) (segid MG4 and resid 4 and name MG)  8.0 6.2 0.0
assign (segid J345 and resid 9 and name C5) (segid MG4 and resid 4 and name MG)  8.0 6.2 0.0
assign (segid J345 and resid 20 and name H8) (segid MG4 and resid 4 and name MG) 8.0 6.2 0.0
assign (segid J345 and resid 20 and name C8) (segid MG4 and resid 4 and name MG) 8.0 6.2 0.0
assign (segid J345 and resid 21 and name H3') (segid MG4 and resid 4 and name MG) 8.0 6.2 0.0
assign (segid J345 and resid 21 and name C3') (segid MG4 and resid 4 and name MG) 8.0 6.2 0.0
assign (segid J345 and resid 37 and name H6) (segid MG5 and resid 5 and name MG) 8.0 6.2 0.0
assign (segid J345 and resid 37 and name C6) (segid MG5 and resid 5 and name MG) 8.0 6.2 0.0
assign (segid J345 and resid 37 and name H5) (segid MG5 and resid 5 and name MG) 8.0 6.2 0.0
assign (segid J345 and resid 37 and name C5) (segid MG5 and resid 5 and name MG) 8.0 6.2 0.0
assign (segid J345 and resid 37 and name H3) (segid MG5 and resid 5 and name MG) 8.0 6.2 0.0
assign (segid J345 and resid 37 and name N3) (segid MG5 and resid 5 and name MG) 8.0 6.2 0.0
assign (segid J345 and resid 38 and name H5'') (segid MG5 and resid 5 and name MG) 8.0 6.2 0.0
assign (segid J345 and resid 38 and name C5') (segid MG5 and resid 5 and name MG) 8.0 6.2 0.0
assign (segid J345 and resid 42 and name H1) (segid MG6 and resid 6 and name MG) 8.0 6.2 0.0
assign (segid J345 and resid 42 and name N1) (segid MG6 and resid 6 and name MG) 8.0 6.2 0.0
assign (segid J345 and resid 6 and name H3) (segid MG6 and resid 6 and name MG)  8.0 6.2 0.0
assign (segid J345 and resid 6 and name N3) (segid MG6 and resid 6 and name MG)  8.0 6.2 0.0
assign (segid J345 and resid 23 and name H2') (segid MG6 and resid 6 and name MG) 8.0 6.2 0.0
assign (segid J345 and resid 23 and name C2') (segid MG6 and resid 6 and name MG) 8.0 6.2 0.0
assign (segid J345 and resid 41 and name H3') (segid MG6 and resid 6 and name MG) 8.0 6.2 0.0
assign (segid J345 and resid 41 and name C3') (segid MG6 and resid 6 and name MG) 8.0 6.2 0.0
assign (segid J345 and resid 32 and name H8) 
((segid MG1 and resid 1 and name MG) or (segid MG2 and resid 2 and name MG)) 10.0 8.2 0.0
assign (segid J345 and resid 32 and name C8) 
((segid MG1 and resid 1 and name MG) or (segid MG2 and resid 2 and name MG)) 10.0 8.2 0.0
assign (segid J345 and resid 27 and name H42) 
((segid MG1 and resid 1 and name MG) or (segid MG2 and resid 2 and name MG)) 10.0 8.2 0.0
assign (segid J345 and resid 27 and name H41) 
((segid MG1 and resid 1 and name MG) or (segid MG2 and resid 2 and name MG)) 10.0 8.2 0.0
assign (segid J345 and resid 27 and name N4) 
((segid MG1 and resid 1 and name MG) or (segid MG2 and resid 2 and name MG)) 10.0 8.2 0.0
assign (segid J345 and resid 27 and name H6) 
((segid MG1 and resid 1 and name MG) or (segid MG2 and resid 2 and name MG)) 10.0 8.2 0.0
assign (segid J345 and resid 27 and name C6) 
((segid MG1 and resid 1 and name MG) or (segid MG2 and resid 2 and name MG)) 10.0 8.2 0.0
assign (segid J345 and resid 27 and name H5) 
((segid MG1 and resid 1 and name MG) or (segid MG2 and resid 2 and name MG)) 10.0 8.2 0.0
assign (segid J345 and resid 27 and name C5) 
((segid MG1 and resid 1 and name MG) or (segid MG2 and resid 2 and name MG)) 10.0 8.2 0.0
assign (segid J345 and resid 27 and name H3') 
((segid MG1 and resid 1 and name MG) or (segid MG2 and resid 2 and name MG)) 10.0 8.2 0.0
assign (segid J345 and resid 27 and name C3') 
((segid MG1 and resid 1 and name MG) or (segid MG2 and resid 2 and name MG)) 10.0 8.2 0.0
assign (segid J345 and resid 27 and name H2') 
((segid MG1 and resid 1 and name MG) or (segid MG2 and resid 2 and name MG)) 10.0 8.2 0.0
assign (segid J345 and resid 27 and name C2') 
((segid MG1 and resid 1 and name MG) or (segid MG2 and resid 2 and name MG)) 10.0 8.2 0.0
assign (segid J345 and resid 32 and name H5') 
((segid MG1 and resid 1 and name MG) or (segid MG2 and resid 2 and name MG)) 10.0 8.2 0.0
assign (segid J345 and resid 32 and name C5') 
((segid MG1 and resid 1 and name MG) or (segid MG2 and resid 2 and name MG)) 10.0 8.2 0.0
assign (segid J345 and resid 31 and name C3') 
((segid MG1 and resid 1 and name MG) or (segid MG2 and resid 2 and name MG)) 10.0 8.2 0.0
assign (segid J345 and resid 31 and name H3')
((segid MG1 and resid 1 and name MG) or (segid MG2 and resid 2 and name MG)) 10.0 8.2 0.0
assign (segid J345 and resid 24 and name H8) 
((segid MG2 and resid 2 and name MG) or (segid MG6 and resid 6 and name MG)) 10.0 8.2 0.0
assign (segid J345 and resid 24 and name C8) 
((segid MG2 and resid 2 and name MG) or (segid MG6 and resid 6 and name MG)) 10.0 8.2 0.0
assign (segid J345 and resid 35 and name H3) 
((segid MG2 and resid 2 and name MG) or (segid MG6 and resid 6 and name MG)) 10.0 8.2 0.0
assign (segid J345 and resid 35 and name N3) 
((segid MG2 and resid 2 and name MG) or (segid MG6 and resid 6 and name MG)) 10.0 8.2 0.0
assign (segid J345 and resid 25 and name H8)
((segid MG2 and resid 2 and name MG) or (segid MG6 and resid 6 and name MG)) 10.0 8.2 0.0
assign (segid J345 and resid 25 and name C8)
((segid MG2 and resid 2 and name MG) or (segid MG6 and resid 6 and name MG)) 10.0 8.2 0.0
assign (segid J345 and resid 10 and name H8)
((segid MG3 and resid 3 and name MG) or (segid MG4 and resid 4 and name MG)) 10.0 8.2 0.0
assign (segid J345 and resid 10 and name C8)
((segid MG3 and resid 3 and name MG) or (segid MG4 and resid 4 and name MG)) 10.0 8.2 0.0
assign (segid J345 and resid 36 and name H1) 
((segid MG5 and resid 5 and name MG) or (segid MG6 and resid 6 and name MG)) 10.0 8.2 0.0
assign (segid J345 and resid 36 and name N1) 
((segid MG5 and resid 5 and name MG) or (segid MG6 and resid 6 and name MG)) 10.0 8.2 0.0
assign (segid J345 and resid 36 and name H8) 
((segid MG5 and resid 5 and name MG) or (segid MG6 and resid 6 and name MG)) 10.0 8.2 0.0
assign (segid J345 and resid 36 and name C8) 
((segid MG5 and resid 5 and name MG) or (segid MG6 and resid 6 and name MG)) 10.0 8.2 0.0
;
   1   1   121   90   parsed_2mtk   1   
    stop_

save_





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