NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage program type
520496 108d cing 2-parsed STAR comment


data_108d_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_108d 
    _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_108d   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_108d 
    _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   108d   "Master copy"    parsed_108d   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_108d 
    _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   108d.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"    0   parsed_108d   1   
        1   108d.mr   .   .   "MR format"    2    distance                 "hydrogen bond"      simple             0   parsed_108d   1   
        1   108d.mr   .   .   "MR format"    3    comment                  "Not applicable"    "Not applicable"    0   parsed_108d   1   
        1   108d.mr   .   .   "MR format"    4    distance                  NOE                 simple             0   parsed_108d   1   
        1   108d.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"    0   parsed_108d   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_108d 
    _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   DEOXYRIBONUCLEIC ACID                   31-JAN-95   108D    
*COMPND   DNA (5'-D(*CP*GP*CP*TP*AP*GP*CP*G-3') COMPLEXED WITH THE    
*COMPND  2 BISINTERCALATING DYE 1,1-(4,4,8,8-TETRAMETHYL-4,8-         
*COMPND  3 DIAZAUNDECAMETHYLENE)-BIS-4-(3-METHYL-2,3-DIHYDRO-(BENZO-  
*COMPND  4 1,3-THIAZOLE)-2-METHYLIDENE)-QUINOLINIUM TETRAIODIDE (TOTO)
*COMPND  5 (NMR, 40 STRUCTURES)                                       
*SOURCE   SYNTHETIC                                                   
*EXPDTA   NMR, 40 STRUCTURES 
*AUTHOR   H.P.SPIELMANN,D.E.WEMMER,J.P.JACOBSEN                       
*REVDAT  1   03-JUN-95 108D    0 

REMARK
REMARK  start NOE derived interpronon distance restraints.
REMARK  BOUNDS DISTANCES ARE IN ANGSTROMS
REMARK  FORMAT FOR ATOM NAME IS SEVEN CHAR 
REMARK  CONSISTING OF FOUR CHAR (a4) FOR THE SPECIFIC ATOM
REMARK  FOLLOWED BY THREE CHAR (i3) FOR THE SPECIFIC RESIDUE
REMARK  RESIDUES MAP TO THE PDB FILE AS FOLLOWS:
REMARK
REMARK  CONSTRAINT    PDB
REMARK  FILE          FILE
REMARK  RESIDUE       RESIDUE
REMARK  NUMBER        NUMBER
REMARK     1     ==    1
REMARK     2     ==    2
REMARK     3     ==    3
REMARK     4     ==    4
REMARK     5     ==    5
REMARK     6     ==    6
REMARK     7     ==    7
REMARK     8     ==    8
REMARK     9     ==    1B
REMARK     10    ==    2B
REMARK     11    ==    3B
REMARK     12    ==    4B
REMARK     13    ==    5B
REMARK     14    ==    6B
REMARK     15    ==    7B
REMARK     16    ==    8B
REMARK     17    ==    1C
REMARK     18    ==    2C
REMARK     19    ==    3C
REMARK     20    ==    4C
REMARK     21    ==    5C
REMARK     22    ==    6C
REMARK     23    ==    7C
REMARK
REMARK  restraints generated by direct inspection of spectra
REMARK
REMARK                          LOWER    UPPER
REMARK  ATOM 1      ATOM 2      BOUND    BOUND
;

save_





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Contact the webmaster for help, if required. Tuesday, January 23, 2018 2:18:33 AM CST (wattos1)