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
558591 2lxy 18703 cing 2-parsed STAR comment 

data_2lxy_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2lxy 
    _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_2lxy   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2lxy 
    _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   2lxy   "Master copy"    parsed_2lxy   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2lxy 
    _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   2lxy.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"    0   parsed_2lxy   1   
        1   2lxy.mr   .   .    XPLOR/CNS     2   "dihedral angle"          "Not applicable"    "Not applicable"    0   parsed_2lxy   1   
        1   2lxy.mr   .   .    XPLOR/CNS     3    distance                 "hydrogen bond"      simple             0   parsed_2lxy   1   
        1   2lxy.mr   .   .    XPLOR/CNS     4    distance                  NOE                 simple             0   parsed_2lxy   1   
        1   2lxy.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"    0   parsed_2lxy   1   
    stop_

save_


save_MR_file_comment_1
    _Org_constr_file_comment.Sf_category         org_constr_file_comment 
    _Org_constr_file_comment.Entry_ID            parsed_2lxy 
    _Org_constr_file_comment.ID                  1 
    _Org_constr_file_comment.Constraint_file_ID  1 
    _Org_constr_file_comment.Block_ID            1 
    _Org_constr_file_comment.Details            "Generated by Wattos" 
    _Org_constr_file_comment.Comment            
;
*HEADER    DE NOVO PROTEIN                         06-SEP-12   2LXY              
*TITLE     NMR STRUCTURE OF 2-MERCAPTOPHENOL-ALPHA3C                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 2-MERCAPTOPHENOL-ALPHA3C;                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES                                                       
*KEYWDS    DE NOVO PROTEIN, THREE-HELIX BUNDLE, REDOX PROTEIN, PHENOL OXIDATION- 
*KEYWDS   2 REDUCTION, PROTON-COUPLED ELECTRON TRANSFER                          
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    32                                                                    
*AUTHOR    C.TOMMOS, K.G.VALENTINE, M.C.MARTINEZ-RIVERA, L.LIANG, V.R.MOORMAN    
*REVDAT   1   27-FEB-13 2LXY    0                                                


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save_

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