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
30532 1cqo 4550 cing 2-parsed STAR comment


data_1cqo_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1cqo 
    _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_1cqo   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1cqo 
    _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   1cqo   "Master copy"    parsed_1cqo   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1cqo 
    _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   1cqo.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"    0   parsed_1cqo   1   
        1   1cqo.mr   .   .    n/a           2    comment                  "Not applicable"    "Not applicable"    0   parsed_1cqo   1   
        1   1cqo.mr   .   .    DYANA/DIANA   3    peak                     "Not applicable"    "Not applicable"    0   parsed_1cqo   1   
        1   1cqo.mr   .   .    DYANA/DIANA   4    peak                     "Not applicable"    "Not applicable"    0   parsed_1cqo   1   
        1   1cqo.mr   .   .    DYANA/DIANA   5    peak                     "Not applicable"    "Not applicable"    0   parsed_1cqo   1   
        1   1cqo.mr   .   .    DYANA/DIANA   6   "dihedral angle"          "Not applicable"    "Not applicable"    0   parsed_1cqo   1   
        1   1cqo.mr   .   .    unknown       7    distance                 "hydrogen bond"      simple             0   parsed_1cqo   1   
        1   1cqo.mr   .   .   "MR format"    8   "nomenclature mapping"    "Not applicable"    "Not applicable"    0   parsed_1cqo   1   
    stop_

save_


save_MR_file_comment_2
    _Org_constr_file_comment.Sf_category         org_constr_file_comment 
    _Org_constr_file_comment.Entry_ID            parsed_1cqo 
    _Org_constr_file_comment.ID                  1 
    _Org_constr_file_comment.Constraint_file_ID  1 
    _Org_constr_file_comment.Block_ID            2 
    _Org_constr_file_comment.Details            "Generated by Wattos" 
    _Org_constr_file_comment.Comment            
;
###################         DO NOT SORT THIS FILE        #####################
# This file contains NOE volume restraints and dihedral angle restraints.    #
# Some overlapped NOE volume restraints were applied.  In the overlapped     #
# constraint sections of this file, the contributors to each overlapped NOE  #
# volume are listed on consecutive lines, each with a -1.00000 volume in the #
# 7th column, with the last contributor to the volume listed twice: once     #
# with -1.00000 in the 7th column, and again with the measurment for the     #
# total overlapped volume in the 7th column.                                 #
#                                                                            #
# This file contains NOE measurments from three mixing times.  Each section  #
# is appropriately labelled with the mixing time.                            #
#                                                                            #
# Section 1 contains NOE restraints from the  50 ms NOESY                    #
# Section 2 contains NOE restraints from the 120 ms NOESY                    #
# Section 3 contains NOE restraints from the 200 ms NOESY                    #
# Section 4 contains dihedral angle constraints for sugars and backbone      #
# Section 5 contains Watson-Crick hydrogen bonding constraints               #
##############################################################################


;

save_





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