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 subtype subsubtype
563732 2m0x 18831 cing 2-parsed STAR distance hydrogen bond simple


data_2m0x_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2m0x 
    _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_2m0x   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2m0x 
    _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   2m0x   "Master copy"    parsed_2m0x   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2m0x 
    _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   2m0x.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_2m0x   1   
        1   2m0x.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             1038   parsed_2m0x   1   
        1   2m0x.mr   .   .    XPLOR/CNS     3   "dihedral angle"          "Not applicable"    "Not applicable"      29   parsed_2m0x   1   
        1   2m0x.mr   .   .    XPLOR/CNS     4   "dipolar coupling"        "Not applicable"    "Not applicable"      34   parsed_2m0x   1   
        1   2m0x.mr   .   .    XPLOR/CNS     5    distance                 "hydrogen bond"      simple                0   parsed_2m0x   1   
        1   2m0x.mr   .   .    XPLOR/CNS     6   "dihedral angle"          "Not applicable"    "Not applicable"       0   parsed_2m0x   1   
        1   2m0x.mr   .   .   "MR format"    7   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_2m0x   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_5
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2m0x 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type    "hydrogen bond" 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            5 
    _Distance_constraint_list.Details            "Generated by Wattos" 

    loop_
        _Dist_constraint_parse_err.ID 
        _Dist_constraint_parse_err.Content 
        _Dist_constraint_parse_err.Begin_line 
        _Dist_constraint_parse_err.Begin_column 
        _Dist_constraint_parse_err.End_line 
        _Dist_constraint_parse_err.End_column 
        _Dist_constraint_parse_err.Entry_ID 
        _Dist_constraint_parse_err.Distance_constraint_list_ID 

         1   "# Hydrogen Bonds"                                                                                        1   1    1   16   parsed_2m0x   1   
         2   "assign (resid 17 and name n) (resid 17  and name hn) (resid 1 and name o)"                               2   1    2   73   parsed_2m0x   1   
         3   "assign (resid 64 and name n) (resid 64  and name hn) (resid 2 and name o)"                               3   1    3   73   parsed_2m0x   1   
         4   "assign (resid 15 and name n) (resid 15  and name hn) (resid 3 and name o)"                               4   1    4   73   parsed_2m0x   1   
         5   "assign (resid 67 and name n) (resid 67  and name hn) (resid 4 and name o)"                               5   1    5   73   parsed_2m0x   1   
         6   "assign (resid 13 and name n) (resid 13  and name hn) (resid 5 and name o)"                               6   1    6   73   parsed_2m0x   1   
         7   "assign (resid 69 and name n) (resid 69  and name hn) (resid 6 and name o)"                               7   1    7   73   parsed_2m0x   1   
         8   "assign (resid 7 and name n) (resid 7  and name hn) (resid 11 and name o)"                                8   1    8   72   parsed_2m0x   1   
         9   "assign (resid 5 and name n) (resid 5  and name hn) (resid 13 and name o)"                                9   1    9   72   parsed_2m0x   1   
        10   "assign (resid 3 and name n) (resid 3  and name hn) (resid 15 and name o)"                               10   1   10   72   parsed_2m0x   1   
        11   "assign (resid 27 and name n) (resid 27  and name hn) (resid 23 and name o)"                             11   1   11   74   parsed_2m0x   1   
        12   "assign (resid 28 and name n) (resid 28  and name hn) (resid 24 and name o)"                             12   1   12   74   parsed_2m0x   1   
        13   "assign (resid 29 and name n) (resid 29  and name hn) (resid 25 and name o)"                             13   1   13   74   parsed_2m0x   1   
        14   "assign (resid 30 and name n) (resid 30  and name hn) (resid 26 and name o)"                             14   1   14   74   parsed_2m0x   1   
        15   "assign (resid 31 and name n) (resid 31  and name hn) (resid 27 and name o)"                             15   1   15   74   parsed_2m0x   1   
        16   "assign (resid 32 and name n) (resid 32  and name hn) (resid 28 and name o)"                             16   1   16   74   parsed_2m0x   1   
        17   "assign (resid 33 and name n) (resid 33  and name hn) (resid 29 and name o)"                             17   1   17   74   parsed_2m0x   1   
        18   "assign (resid 34 and name n) (resid 34  and name hn) (resid 30 and name o)"                             18   1   18   74   parsed_2m0x   1   
        19   "assign (resid   40      and name n) (resid      40       and name hn) (resid    37     and name o)"     19   1   19   98   parsed_2m0x   1   
        20   "assign (resid   41      and name n) (resid      41       and name hn) (resid    38      and name o)"    20   1   20   99   parsed_2m0x   1   
        21   "assign (resid 72 and name n) (resid 72  and name hn) (resid 40 and name o)"                             21   1   21   74   parsed_2m0x   1   
        22   "assign (resid 70 and name n) (resid 70  and name hn) (resid 42 and name o)"                             22   1   22   74   parsed_2m0x   1   
        23   "assign (resid 50 and name n) (resid 50  and name hn) (resid 43 and name o)"                             23   1   23   74   parsed_2m0x   1   
        24   "assign (resid 68 and name n) (resid 68  and name hn) (resid 44 and name o)"                             24   1   24   74   parsed_2m0x   1   
        25   "assign (resid 45 and name n) (resid 45  and name hn) (resid 48 and name o)"                             25   1   25   74   parsed_2m0x   1   
        26   "assign (resid 4 and name n) (resid 4  and name hn) (resid 65 and name o)"                               26   1   26   72   parsed_2m0x   1   
        27   "assign (resid 6 and name n) (resid 6  and name hn) (resid 67 and name o)"                               27   1   27   72   parsed_2m0x   1   
    stop_

save_





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