NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)
image mrblock_id pdb_id cing in_recoord stage program type
33512 1ie6 cing recoord 2-parsed STAR comment 

data_1ie6_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1ie6 
    _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_1ie6   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1ie6 
    _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   1ie6   "Master copy"    parsed_1ie6   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1ie6 
    _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   1ie6.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"    0   parsed_1ie6   1   
        1   1ie6.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             0   parsed_1ie6   1   
        1   1ie6.mr   .   .    XPLOR/CNS     3    distance                 "hydrogen bond"      simple             0   parsed_1ie6   1   
        1   1ie6.mr   .   .    XPLOR/CNS     4    distance                 "disulfide bond"     simple             0   parsed_1ie6   1   
        1   1ie6.mr   .   .    n/a           5    comment                  "Not applicable"    "Not applicable"    0   parsed_1ie6   1   
        1   1ie6.mr   .   .    XPLOR/CNS     6   "dihedral angle"          "Not applicable"    "Not applicable"    0   parsed_1ie6   1   
        1   1ie6.mr   .   .    n/a           7    comment                  "Not applicable"    "Not applicable"    0   parsed_1ie6   1   
        1   1ie6.mr   .   .   "MR format"    8   "nomenclature mapping"    "Not applicable"    "Not applicable"    0   parsed_1ie6   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_1ie6 
    _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                                   07-APR-01   1IE6              
*TITLE     SOLUTION STRUCTURE OF IMPERATOXIN A                                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: IMPERATOXIN A;                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: PEPTIDE NEUROTOXIN, RYANODINE RECEPTOR ACTIVATOR;           
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED.               
*SOURCE   4 THIS SEQUENCE OCCURS NATURALLY IN THE VENOM OF SCORPION              
*SOURCE   5 PANDINUS IMPERATOR.                                                  
*KEYWDS    TRIPLE STRANDED ANTIPARELLEL BETA-SHEET, INHIBITORY CYSTINE           
*KEYWDS   2 KNOT                                                                 
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    C.W.LEE, K.TAKEUCHI, H.TAKAHASHI, K.SATO, I.SHIMADA,                  
*AUTHOR   2 D.H.KIM, J.I.KIM                                                     
*REVDAT   1   10-JUN-03 1IE6    0                                                

;

save_

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