NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)
image mrblock_id pdb_id cing in_recoord in_dress stage program type
28933 1ab7 cing recoord dress 2-parsed STAR comment 

data_1ab7_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1ab7 
    _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_1ab7   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1ab7 
    _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   1ab7   "Master copy"    parsed_1ab7   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1ab7 
    _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   1ab7.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"    0   parsed_1ab7   1   
        1   1ab7.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             0   parsed_1ab7   1   
        1   1ab7.mr   .   .    XPLOR/CNS     3    distance                 "hydrogen bond"      simple             0   parsed_1ab7   1   
        1   1ab7.mr   .   .    n/a           4    comment                  "Not applicable"    "Not applicable"    0   parsed_1ab7   1   
        1   1ab7.mr   .   .    XPLOR/CNS     5   "dihedral angle"          "Not applicable"    "Not applicable"    0   parsed_1ab7   1   
        1   1ab7.mr   .   .    n/a           6    comment                  "Not applicable"    "Not applicable"    0   parsed_1ab7   1   
        1   1ab7.mr   .   .   "MR format"    7   "nomenclature mapping"    "Not applicable"    "Not applicable"    0   parsed_1ab7   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_1ab7 
    _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   RIBONUCLEASE INHIBITOR                  04-FEB-97   1AB7    
*TITLE    NMR 15N RELAXATION AND STRUCTURAL STUDIES REVEAL            
*TITLE   2 CONFORMATIONAL EXCHANGE IN BARSTAR C40/82A, 30 STRUCTURES  
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: BARSTAR;                                         
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 ENGINEERED: YES;                                           
*COMPND  5 MUTATION: C40A, C82A                                       
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: BACILLUS AMYLOLIQUEFACIENS;           
*SOURCE  3 EXPRESSION_SYSTEM: ESCHERICHIA COLI                        
*KEYWDS   RIBONUCLEASE INHIBITOR                                      
*EXPDTA   NMR, 30 STRUCTURES                                          
*AUTHOR   K.B.WONG,A.R.FERSHT,S.M.V.FREUND                            
*REVDAT  1   04-SEP-97 1AB7    0                                      

;

save_

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