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
586565 2mj4 19704 cing 2-parsed STAR comment 

data_2mj4_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2mj4 
    _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_2mj4   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2mj4 
    _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   2mj4   "Master copy"    parsed_2mj4   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2mj4 
    _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   2mj4.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"    0   parsed_2mj4   1   
        1   2mj4.mr   .   .    DYANA/DIANA   2    distance                  NOE                 simple             0   parsed_2mj4   1   
        1   2mj4.mr   .   .   "MR format"    3   "nomenclature mapping"    "Not applicable"    "Not applicable"    0   parsed_2mj4   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_2mj4 
    _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                                   26-DEC-13   2MJ4              
*TITLE     NEUROTOXIN II FROM SNAKE VENOM NAJA OXIANA IN SOLUTION                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SHORT NEUROTOXIN 1;                                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: NEUROTOXIN II, NTX II, NEUROTOXIN ALPHA;                    
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: NAJA OXIANA;                                    
*SOURCE   3 ORGANISM_COMMON: OXUS COBRA;                                         
*SOURCE   4 ORGANISM_TAXID: 8657;                                                
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: NTII                                       
*KEYWDS    13C RELAXATION, SIDE CHAIN DYNAMICS, MOLECULAR DYNAMICS, MOLECULAR    
*KEYWDS   2 MECHANICS FORCE FIELDS, OPTIMIZATION, TOXIN                          
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    D.M.LESOVOY, S.B.NOLDE, E.V.BOCHAROV, E.N.LYUKMANOVA, A.S.ARSENIEV    
*REVDAT   1   28-JAN-15 2MJ4    0                                                


#The 1H-1H NOE amplitudes should be treated only according to the flexibility of the corresponding backbone or side chain groups: derived from the heteronuclear NOE, R1, R2, ?1chch(dipolar cross-correlation contribution to R1), ?2chch(dipolar cross-correlation contribution to R2), and 3J scalar coupling constant values.

;

save_

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