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
490350 2ks9 20115 cing 2-parsed STAR comment 

data_2ks9_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2ks9 
    _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_2ks9   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2ks9 
    _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   2ks9   "Master copy"    parsed_2ks9   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2ks9 
    _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   2ks9.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"    0   parsed_2ks9   1   
        1   2ks9.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             0   parsed_2ks9   1   
        1   2ks9.mr   .   .    XPLOR/CNS     3   "dihedral angle"          "Not applicable"    "Not applicable"    0   parsed_2ks9   1   
        1   2ks9.mr   .   .   "MR format"    4   "nomenclature mapping"    "Not applicable"    "Not applicable"    0   parsed_2ks9   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_2ks9 
    _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 RECEPTOR/NEUROPEPTIDE      31-DEC-09   2KS9              
*TITLE     SOLUTION CONFORMATION OF SUBSTANCE P IN WATER COMPLEXED WITH NK1R     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SUBSTANCE-P RECEPTOR;                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 1-364;                                        
*COMPND   5 SYNONYM: SPR, NK-1 RECEPTOR, NK-1R, TACHYKININ RECEPTOR 1;           
*COMPND   6 MOL_ID: 2;                                                           
*COMPND   7 MOLECULE: SUBSTANCE P;                                               
*COMPND   8 CHAIN: B;                                                            
*COMPND   9 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 MOL_ID: 2;                                                           
*SOURCE   6 SYNTHETIC: YES;                                                      
*SOURCE   7 OTHER_DETAILS: SYNTHETIC PEPTIDE                                     
*KEYWDS    SUBSTANCE P, WATER, AUTODOCK, NK1, NEUROPEPTIDE RECEPTOR-NEUROPEPTIDE 
*KEYWDS   2 COMPLEX                                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    5                                                                     
*AUTHOR    A.GAYEN, C.MUKHOPADHYAY                                               
*REVDAT   2   17-NOV-10 2KS9    1       NEW RESTRAINTS FILE  
*REVDAT   1   03-NOV-10 2KS9    0                                                


;

save_

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