NMR Restraints Grid

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

image mrblock_id pdb_id cing stage program type subtype subsubtype
282824 2krd cing 2-parsed STAR distance NOE ambi


data_2krd_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2krd 
    _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_2krd   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2krd 
    _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   2krd   "Master copy"    parsed_2krd   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2krd 
    _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   2krd.mr   .   .   "MR format"     1    comment                  "Not applicable"    "Not applicable"     0   parsed_2krd   1   
        1   2krd.mr   .   .    XPLOR/CNS      2    distance                  NOE                 simple             15   parsed_2krd   1   
        1   2krd.mr   .   .    XPLOR/CNS      3    distance                  NOE                 ambi                0   parsed_2krd   1   
        1   2krd.mr   .   .    XPLOR/CNS      4    distance                  NOE                 simple             17   parsed_2krd   1   
        1   2krd.mr   .   .    XPLOR/CNS      5    distance                  NOE                 ambi                7   parsed_2krd   1   
        1   2krd.mr   .   .    XPLOR/CNS      6    distance                  NOE                 ambi                0   parsed_2krd   1   
        1   2krd.mr   .   .    XPLOR/CNS      7    distance                  NOE                 ambi                0   parsed_2krd   1   
        1   2krd.mr   .   .    XPLOR/CNS      8    distance                  NOE                 simple              0   parsed_2krd   1   
        1   2krd.mr   .   .    XPLOR/CNS      9    distance                  NOE                 simple              0   parsed_2krd   1   
        1   2krd.mr   .   .   "MR format"    10   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_2krd   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_6
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2krd 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type     NOE 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            6 
    _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   "assign (resid 61 and name HG11) (id 1632)  6.00 4.20 0.0"                                    1   1    1   56   parsed_2krd   1   
         2   "assign (resid 64 and name HG11) (id 1632)  6.00 4.20 0.0"                                    2   1    2   56   parsed_2krd   1   
         3   "assign ((resid 41 and name HD2#) or (resid 57 and name HD2#)) (id 1632)  6.00 4.20 0.00"     3   1    3   87   parsed_2krd   1   
         4   "assign (resid 48 and name HD2#) ((id 1642) or (id 1634)) 6.00 4.20 0.00"                     4   1    4   71   parsed_2krd   1   
         5   "assign (id 1644) (resid 60 and name HE*)  6.00 4.20 0.00"                                    5   1    5   56   parsed_2krd   1   
         6   "assign (id 1642) (resid 64 and name HG1*) 6.00 4.20 0.00"                                    6   1    6   56   parsed_2krd   1   
         7   "assign (id 1642) (resid 44 and name HG*) 6.00 4.20 0.00"                                     7   1    7   55   parsed_2krd   1   
         8   "assign ((id 1642) or (id 1632)) (resid 60 and name HE*)  6.00 4.20 0.00"                     8   1    8   71   parsed_2krd   1   
         9   "assign (id 1642) (resid 47 and name HE*)  6.00 4.20 0.00"                                    9   1    9   56   parsed_2krd   1   
        10   "assign (id 1644) (resid 47 and name HE*)  6.00 4.20 0.00"                                   10   1   10   56   parsed_2krd   1   
        11   "assign (id 1642) (resid 81 and name HE*)  6.00 4.20 0.00"                                   11   1   11   56   parsed_2krd   1   
        12   "assign (id 1632) (resid 61 and name HD*) 6.00 4.20 0.00"                                    12   1   12   55   parsed_2krd   1   
        13   "assign (id 1634) (resid 23 and name HB*) 6.00 4.20 0.00"                                    13   1   13   55   parsed_2krd   1   
        14   "assign ((id 1642) or (id 1632)) (resid 61 and name HG2*) 6.00 4.20 0.00"                    14   1   14   71   parsed_2krd   1   
        15   "assign (id 1642) (resid 41 and name HD*)  6.00 4.20 0.00"                                   15   1   15   56   parsed_2krd   1   
        16   "assign (id 1632) (resid 72 and name HG2*) 6.00 4.20 0.00"                                   16   1   16   56   parsed_2krd   1   
        17   "assign (id 1640) (resid 72 and name HG2*) 6.00 4.20 0.00"                                   17   1   17   56   parsed_2krd   1   
        18   "assign (id 1634) (resid 64 and name HG2*) 6.00 4.20 0.00"                                   18   1   18   56   parsed_2krd   1   
        19   "assign (id 1644) (resid 64 and name HG2*) 6.00 4.20 0.00"                                   19   1   19   56   parsed_2krd   1   
        20   "assign (id 1640) (resid 64 and name HG2*) 6.00 4.20 0.00"                                   20   1   20   56   parsed_2krd   1   
        21   "assign (id 1632) (resid 64 and name HG2*) 6.00 4.20 0.00"                                   21   1   21   56   parsed_2krd   1   
        22   "assign (id 1632) (resid 36 and name HG2*) 6.00 4.20 0.00"                                   22   1   22   56   parsed_2krd   1   
        23   "assign (id 1640) (resid 44 and name HG*) 6.00 4.20 0.00"                                    23   1   23   55   parsed_2krd   1   
        24   "assign (id 1640) (resid 81 and name HE*)  6.00 4.20 0.00"                                   24   1   24   56   parsed_2krd   1   
        25   "assign (id 1636) (resid 64 and name HG2*) 6.00 4.20 0.00"                                   25   1   25   56   parsed_2krd   1   
        26   "assign (id 1636) (resid 60 and name HE*)  6.00 4.20 0.00"                                   26   1   26   56   parsed_2krd   1   
        27   "assign (id 1636) (resid 47 and name HE*)  6.00 4.20 0.00"                                   27   1   27   56   parsed_2krd   1   
        28   "assign (id 1636) (resid 81 and name HE*)  6.00 4.20 0.00"                                   28   1   28   56   parsed_2krd   1   
    stop_

save_





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