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
630914 6aza 30342 cing 2-parsed STAR comment 

data_6aza_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_6aza 
    _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_6aza   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_6aza 
    _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   6aza   "Master copy"    parsed_6aza   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_6aza 
    _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   6aza.mr   .   .   "MR format"    1    comment                  "Not applicable"      "Not applicable"    0   parsed_6aza   1   
        1   6aza.mr   .   .    DYANA/DIANA   2   "dihedral angle"          "Not applicable"      "Not applicable"    0   parsed_6aza   1   
        1   6aza.mr   .   .    DYANA/DIANA   3    distance                  NOE                   simple             0   parsed_6aza   1   
        1   6aza.mr   .   .    DYANA/DIANA   4    distance                 "general distance"     simple             0   parsed_6aza   1   
        1   6aza.mr   .   .    DYANA/DIANA   5   "dihedral angle"          "Not applicable"      "Not applicable"    0   parsed_6aza   1   
        1   6aza.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"      "Not applicable"    0   parsed_6aza   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_6aza 
    _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    TOXIN                                   10-SEP-17   6AZA              
*TITLE     NMR STRUCTURE OF SEA ANEMONE TOXIN KAPPA-ACTITOXIN-ATE1A              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ARG-CYS-LYS-THR-CYS-SER-LYS-GLY-ARG-CYS-ARG-PRO-LYS-PRO-   
*COMPND   3 ASN-CYS-GLY-NH2;                                                     
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 OTHER_DETAILS: RCKTCSKGRCRPKPNCG NH2                                 
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: ACTINIA TENEBROSA;                              
*SOURCE   4 ORGANISM_TAXID: 6105                                                 
*KEYWDS    SEA ANEMONE; ACTINIA TENEBROSA; NEUROTOXIN; ION CHANNELS, TOXIN       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    Y.K.-Y.CHIN,B.MADIO,G.F.KING,E.A.B.UNDHEIM                            
*REVDAT   1   12-SEP-18 6AZA    0                                                
;

save_

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