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
37449 1plx 5914 cing 2-parsed STAR comment 

data_1plx_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1plx 
    _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_1plx   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1plx 
    _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   1plx   "Master copy"    parsed_1plx   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1plx 
    _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   1plx.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"    0   parsed_1plx   1   
        1   1plx.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             0   parsed_1plx   1   
        1   1plx.mr   .   .    XPLOR/CNS     3   "dihedral angle"          "Not applicable"    "Not applicable"    0   parsed_1plx   1   
        1   1plx.mr   .   .   "MR format"    4   "nomenclature mapping"    "Not applicable"    "Not applicable"    0   parsed_1plx   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_1plx 
    _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    NEUROPEPTIDE                            09-JUN-03   1PLX              
*TITLE     NMR STRUCTURE OF METHIONINE-ENKEPHALIN IN FAST TUMBLING               
*TITLE    2 BICELLES/DMPG                                                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MET-ENKEPHALIN 1;                                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPETIDE WAS CHEMICALLY SYNTHESIZED.              
*SOURCE   4 THE SEQUENCE OF THE PEPTIDE IS NATURALLY FOUND IN HOMO               
*SOURCE   5 SAPIENS (HUMAN)                                                      
*KEYWDS    PEPTIDE                                                               
*EXPDTA    NMR, 80 STRUCTURES                                                    
*AUTHOR    I.MARCOTTE, F.SEPAROVIC, M.AUGER, S.M.GAGNE                           
*REVDAT   1   16-MAR-04 1PLX    0                                                
!Distance and dihedral angle constraints used in the calculation of Menk structures in fast tumbling Bic/PG
!with a (DMPC+DMPG)/DHPC molar ratio of 0.5, and a DMPC/DMPG molar ratio of 9:1
!file format : CNS
!The phi angles constraints are listed in the current file below the distance constraints
;

save_

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