NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage program type
29394 1ato cing 2-parsed STAR comment


data_1ato_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1ato 
    _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_1ato   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1ato 
    _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   1ato   "Master copy"    parsed_1ato   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1ato 
    _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   1ato.mr   .   .   "MR format"     1    comment                  "Not applicable"      "Not applicable"      0   parsed_1ato   1   
        1   1ato.mr   .   .    XPLOR/CNS      2   "dihedral angle"          "Not applicable"      "Not applicable"    100   parsed_1ato   1   
        1   1ato.mr   .   .    n/a            3    comment                  "Not applicable"      "Not applicable"      0   parsed_1ato   1   
        1   1ato.mr   .   .    XPLOR/CNS      4    distance                 "general distance"     simple              12   parsed_1ato   1   
        1   1ato.mr   .   .    n/a            5    comment                  "Not applicable"      "Not applicable"      0   parsed_1ato   1   
        1   1ato.mr   .   .    XPLOR/CNS      6   "dihedral angle"          "Not applicable"      "Not applicable"      3   parsed_1ato   1   
        1   1ato.mr   .   .    n/a            7    comment                  "Not applicable"      "Not applicable"      0   parsed_1ato   1   
        1   1ato.mr   .   .    XPLOR/CNS      8   "dihedral angle"          "Not applicable"      "Not applicable"      7   parsed_1ato   1   
        1   1ato.mr   .   .    n/a            9    comment                  "Not applicable"      "Not applicable"      0   parsed_1ato   1   
        1   1ato.mr   .   .    XPLOR/CNS     10   "dihedral angle"          "Not applicable"      "Not applicable"      7   parsed_1ato   1   
        1   1ato.mr   .   .    n/a           11    comment                  "Not applicable"      "Not applicable"      0   parsed_1ato   1   
        1   1ato.mr   .   .    XPLOR/CNS     12    distance                  NOE                   ambi                24   parsed_1ato   1   
        1   1ato.mr   .   .    n/a           13    comment                  "Not applicable"      "Not applicable"      0   parsed_1ato   1   
        1   1ato.mr   .   .    XPLOR/CNS     14   "dihedral angle"          "Not applicable"      "Not applicable"      7   parsed_1ato   1   
        1   1ato.mr   .   .    n/a           15    comment                  "Not applicable"      "Not applicable"      0   parsed_1ato   1   
        1   1ato.mr   .   .    XPLOR/CNS     16   "dihedral angle"          "Not applicable"      "Not applicable"      3   parsed_1ato   1   
        1   1ato.mr   .   .    n/a           17    comment                  "Not applicable"      "Not applicable"      0   parsed_1ato   1   
        1   1ato.mr   .   .    XPLOR/CNS     18    distance                  NOE                   ambi                 0   parsed_1ato   1   
        1   1ato.mr   .   .    n/a           19    comment                  "Not applicable"      "Not applicable"      0   parsed_1ato   1   
        1   1ato.mr   .   .    XPLOR/CNS     20    distance                  NOE                   ambi                 0   parsed_1ato   1   
        1   1ato.mr   .   .    n/a           21    comment                  "Not applicable"      "Not applicable"      0   parsed_1ato   1   
        1   1ato.mr   .   .    XPLOR/CNS     22    distance                  NOE                   ambi                 0   parsed_1ato   1   
        1   1ato.mr   .   .    n/a           23    comment                  "Not applicable"      "Not applicable"      0   parsed_1ato   1   
        1   1ato.mr   .   .    XPLOR/CNS     24    planarity                "Not applicable"      "Not applicable"      0   parsed_1ato   1   
        1   1ato.mr   .   .    n/a           25    comment                  "Not applicable"      "Not applicable"      0   parsed_1ato   1   
        1   1ato.mr   .   .    XPLOR/CNS     26   "dihedral angle"          "Not applicable"      "Not applicable"      0   parsed_1ato   1   
        1   1ato.mr   .   .    n/a           27    comment                  "Not applicable"      "Not applicable"      0   parsed_1ato   1   
        1   1ato.mr   .   .    XPLOR/CNS     28   "dihedral angle"          "Not applicable"      "Not applicable"      0   parsed_1ato   1   
        1   1ato.mr   .   .    n/a           29    comment                  "Not applicable"      "Not applicable"      0   parsed_1ato   1   
        1   1ato.mr   .   .    XPLOR/CNS     30    distance                 "hydrogen bond"        ambi                 0   parsed_1ato   1   
        1   1ato.mr   .   .    n/a           31    comment                  "Not applicable"      "Not applicable"      0   parsed_1ato   1   
        1   1ato.mr   .   .   "MR format"    32   "nomenclature mapping"    "Not applicable"      "Not applicable"      0   parsed_1ato   1   
    stop_

save_


save_MR_file_comment_17
    _Org_constr_file_comment.Sf_category         org_constr_file_comment 
    _Org_constr_file_comment.Entry_ID            parsed_1ato 
    _Org_constr_file_comment.ID                  1 
    _Org_constr_file_comment.Constraint_file_ID  1 
    _Org_constr_file_comment.Block_ID            17 
    _Org_constr_file_comment.Details            "Generated by Wattos" 
    _Org_constr_file_comment.Comment            
;
end
set message=on echo=on end

!  filename sl3_inter.dat
!  Michael Kolk, 20/9/96
!  'Gemiddelde' afstanden bepaald uit sl3no750, sl3no_50ms em sl3no_200ms
!  Lower bounds staan op 30%, upper bounds op 20%




set message=off end

;

save_





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