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
53844 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"    0   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_1
    _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            1 
    _Org_constr_file_comment.Details            "Generated by Wattos" 
    _Org_constr_file_comment.Comment            
;
*HEADER   HYDROLASE (PHOSPHORIC DIESTER)          15-SEP-95   2SOB    
*TITLE    SN-OB, OB-FOLD SUB-DOMAIN OF STAPHYLOCOCCAL NUCLEASE,       
*TITLE   2 NMR, 10 STRUCTURES                                         
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: STAPHYLOCOCCAL NUCLEASE;                         
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 DOMAIN: OB-FOLD SUB-DOMAIN, RESIDUES 1 - 103;              
*COMPND  5 SYNONYM: SN-OB, STAPHYLOCOCCAL NUCLEASE OB-SUBDOMAIN;      
*COMPND  6 EC: 3.1.31.1;                                              
*COMPND  7 ENGINEERED: YES;                                           
*COMPND  8 MUTATION: V66L, G88V, DEL(104-109);                        
*COMPND  9 OTHER_DETAILS: 1 - 103 FRAGMENT OF THE 149 AMINO ACID      
*COMPND 10 STAPHYLOCOCCAL NUCLEASE CONTAINING THE "GLOBAL SUPPRESSOR" 
*COMPND 11 MUTATIONS V66L AND G88V                                    
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS;                
*SOURCE  3 STRAIN: FOGGI;                                             
*SOURCE  4 ATCC: 27355;                                               
*SOURCE  5 EXPRESSION_SYSTEM: ESCHERICHIA COLI HMS174 (DE3);          
*SOURCE  6 EXPRESSION_SYSTEM_PLASMID: PET11A T7;                      
*SOURCE  7 EXPRESSION_SYSTEM_GENE: STAPHYLOCOCCAL NUCLEASE            
*SOURCE  8 MUTANT/FRAGMENT                                            
*EXPDTA   NMR, 10 STRUCTURES                                          
*AUTHOR   A.T.ALEXANDRESCU,A.G.GITTIS,C.ABEYGUNAWARDANA,D.SHORTLE     
*REVDAT  1   07-DEC-95 2SOB    0                                      

***************************************************************************
*******the dihedral restraints table       rev_dihed.tbl*********************
***************************************************************************
!!!! PHI TORSIONAL (49 RESTRAINTS)
!
restraints dihedral
nassign=100
;

save_





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