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
34226 1jlp 5112 cing 2-parsed STAR comment 

data_1jlp_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1jlp 
    _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_1jlp   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1jlp 
    _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   1jlp   "Master copy"    parsed_1jlp   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1jlp 
    _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   1jlp.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"    0   parsed_1jlp   1   
        1   1jlp.mr   .   .    DISCOVER      2    stereochemistry           prochirality       "Not applicable"    0   parsed_1jlp   1   
        1   1jlp.mr   .   .    DISCOVER      3    stereochemistry           chirality          "Not applicable"    0   parsed_1jlp   1   
        1   1jlp.mr   .   .    DISCOVER      4    distance                  NOE                 simple             0   parsed_1jlp   1   
        1   1jlp.mr   .   .    DISCOVER      5    distance                  NOE                 simple             0   parsed_1jlp   1   
        1   1jlp.mr   .   .    DISCOVER      6    distance                  NOE                 ambi               0   parsed_1jlp   1   
        1   1jlp.mr   .   .    n/a           7    comment                  "Not applicable"    "Not applicable"    0   parsed_1jlp   1   
        1   1jlp.mr   .   .    DISCOVER      8   "dihedral angle"          "Not applicable"    "Not applicable"    0   parsed_1jlp   1   
        1   1jlp.mr   .   .   "MR format"    9   "nomenclature mapping"    "Not applicable"    "Not applicable"    0   parsed_1jlp   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_1jlp 
    _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                                   16-JUL-01   1JLP              
*TITLE     SOLUTION STRUCTURE OF THE NONCOMPETITIVE SKELETAL MUSCLE              
*TITLE    2 NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONIST PSI-CONOTOXIN            
*TITLE    3 PIIIF                                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PSI-CONOTOXIN PIIIF;                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SOLID PHASE CHEMICAL SYNTHESIS WAS USED.              
*SOURCE   4 ONE SAMPLE CONTAINED ONLY NATURAL ISOTOPIC ABUNDANCE                 
*SOURCE   5 RESIDUES. ANOTHER PEPTIDE INCORPORATED 3-13C-LABELED                 
*SOURCE   6 CYSTEINE AT POSITION 4. THE THIRD PEPTIDE INCORPORATED 3-            
*SOURCE   7 13C-LABELED CYSTEINE AT POSITIONS 5, 10, 16, 21, AND 22.             
*SOURCE   8 THE SEQUENCE FOR ALL PEPTIDES IS THE SAME AS THE NATIVE              
*SOURCE   9 PEPTIDE FROM CONUS PURPURASCENS (PURPLE CONE).                       
*KEYWDS    MULTIPLE DISULFIDE BONDS, AMIDATED C-TERMINUS                         
*EXPDTA    NMR, 17 STRUCTURES                                                    
*AUTHOR    R.M.VAN WAGONER, C.M.IRELAND                                          
*REVDAT   1   24-JUN-03 1JLP    0                                                

;

save_

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