NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)
image mrblock_id pdb_id cing stage program type
29807 1bei cing 2-parsed STAR comment 

data_1bei_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1bei 
    _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_1bei   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1bei 
    _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   1bei   "Master copy"    parsed_1bei   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1bei 
    _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   1bei.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"    0   parsed_1bei   1   
        1   1bei.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             0   parsed_1bei   1   
        1   1bei.mr   .   .    n/a           3    comment                  "Not applicable"    "Not applicable"    0   parsed_1bei   1   
        1   1bei.mr   .   .    XPLOR/CNS     4   "dihedral angle"          "Not applicable"    "Not applicable"    0   parsed_1bei   1   
        1   1bei.mr   .   .    n/a           5    comment                  "Not applicable"    "Not applicable"    0   parsed_1bei   1   
        1   1bei.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"    "Not applicable"    0   parsed_1bei   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_1bei 
    _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    POTASSIUM CHANNEL INHIBITOR             14-MAY-98   1BEI      
*TITLE     SHK-DNP22: A POTENT KV1.3-SPECIFIC IMMUNOSUPPRESSIVE          
*TITLE    2 POLYPEPTIDE, NMR, 20 STRUCTURES                              
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: POTASSIUM CHANNEL TOXIN SHK;                       
*COMPND   3 CHAIN: NULL;                                                 
*COMPND   4 SYNONYM: SHK-DNP22;                                          
*COMPND   5 ENGINEERED: YES;                                             
*COMPND   6 MUTATION: K22DNP, DIAMINOPROPANOATE (DNP) SUBSTITUTION AT    
*COMPND   7 POSITION 22                                                  
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 SYNTHETIC: YES;                                              
*SOURCE   3 ORGANISM_SCIENTIFIC: STOICHACTIS HELIANTHUS;                 
*SOURCE   4 ORGANISM_COMMON: CARRIBEAN SEA ANEMONE                       
*KEYWDS    POTASSIUM CHANNEL INHIBITOR, SEA ANEMONE, IMMUNOSUPPRESSANT   
*KEYWDS   2 NEUROTOXIN                                                   
*EXPDTA    NMR, 20 STRUCTURES                                            
*AUTHOR    K.KALMAN,M.W.PENNINGTON,M.D.LANIGAN,A.NGUYEN,H.RAUER,         
*AUTHOR   2 V.MAHNIR,G.A.GUTMAN,K.PASCHETTO,W.R.KEM,S.GRISSMER,          
*AUTHOR   3 E.P.CHRISTIAN,M.D.CAHALAN,R.S.NORTON,K.G.CHANDY              
*REVDAT   1   12-OCT-04 1BEI    0   
;

save_

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