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
33918 1j5m 4725 cing 2-parsed STAR comment 

data_1j5m_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1j5m 
    _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_1j5m   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1j5m 
    _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   1j5m   "Master copy"    parsed_1j5m   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1j5m 
    _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   1j5m.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"    0   parsed_1j5m   1   
        1   1j5m.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             0   parsed_1j5m   1   
        1   1j5m.mr   .   .    n/a           3    comment                  "Not applicable"    "Not applicable"    0   parsed_1j5m   1   
        1   1j5m.mr   .   .    XPLOR/CNS     4   "dihedral angle"          "Not applicable"    "Not applicable"    0   parsed_1j5m   1   
        1   1j5m.mr   .   .    XPLOR/CNS     5    distance                 "hydrogen bond"      simple             0   parsed_1j5m   1   
        1   1j5m.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"    "Not applicable"    0   parsed_1j5m   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_1j5m 
    _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    METAL BINDING PROTEIN                   16-MAY-02   1J5M              
*TITLE     SOLUTION STRUCTURE OF THE SYNTHETIC 113CD_3 BETA_N DOMAIN             
*TITLE    2 OF LOBSTER METALLOTHIONEIN-1                                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: METALLOTHIONEIN-1;                                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: BETA_N DOMAIN (RESIDUES 1-28);                             
*COMPND   5 SYNONYM: CUMT-1;                                                     
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE           
*SOURCE   4 SEQUENCE OF THE PEPTIDE IS NATURALLY FOUND IN HOMARUS                
*SOURCE   5 AMERICANUS (AMERICAN LOBSTER).                                       
*KEYWDS    METALLOTHIONEIN, BETA-DOMAIN, METAL-SULFUR-CLUSTER, 2D-NMR,           
*KEYWDS   2 113CD-NMR, CONFORMATIONAL CHANGES, HN-S-HYDROGEN BONDS               
*EXPDTA    NMR, MINIMIZED AVERAGE STUCTURE                                       
*AUTHOR    A.MUNOZ, F.H.FORSTERLING, C.F.SHAW III, D.H.PETERING                  
*REVDAT   1   22-MAY-02 1J5M    0                                                

START_OF_NOE_DATA
;

save_

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