NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)
image mrblock_id pdb_id bmrb_id cing in_recoord stage program type
53846 2sob 4010 cing recoord 2-parsed STAR comment 

data_2sob_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2sob 
    _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_2sob   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2sob 
    _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   2sob   "Master copy"    parsed_2sob   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2sob 
    _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   2sob.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"     0   parsed_2sob   1   
        1   2sob.mr   .   .    XPLOR/CNS     2   "dihedral angle"          "Not applicable"    "Not applicable"    49   parsed_2sob   1   
        1   2sob.mr   .   .    n/a           3    comment                  "Not applicable"    "Not applicable"     0   parsed_2sob   1   
        1   2sob.mr   .   .    n/a           4   "chemical shift"          "Not applicable"    "format 3"           0   parsed_2sob   1   
        1   2sob.mr   .   .    XPLOR/CNS     5    distance                  NOE                 simple              0   parsed_2sob   1   
        1   2sob.mr   .   .    XPLOR/CNS     6    distance                 "hydrogen bond"      simple              0   parsed_2sob   1   
        1   2sob.mr   .   .   "MR format"    7   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_2sob   1   
    stop_

save_


save_MR_file_comment_3
    _Org_constr_file_comment.Sf_category         org_constr_file_comment 
    _Org_constr_file_comment.Entry_ID            parsed_2sob 
    _Org_constr_file_comment.ID                  1 
    _Org_constr_file_comment.Constraint_file_ID  1 
    _Org_constr_file_comment.Block_ID            3 
    _Org_constr_file_comment.Details            "Generated by Wattos" 
    _Org_constr_file_comment.Comment            
;
end

***************************************************************************
*********************the NOE restraints table    rev_noe.tbl************
***************************************************************************
!proton and 15N chemical shift values for SN-OB: pH 4.7; temp = 32 oC
! 1H reference compound: TSP
! 15N reference compound: liquid ammonia [Levy & Lichter (1979) Nitrogen-15 Nuclear Magnetic !Resonanance spectroscopy , John Wiley & Sons, New York
!
!
!
;

save_

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