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
551406 2ln7 18152 cing 2-parsed STAR distance hydrogen bond simple


data_2ln7_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2ln7 
    _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_2ln7   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2ln7 
    _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   2ln7   "Master copy"    parsed_2ln7   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2ln7 
    _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   2ln7.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_2ln7   1   
        1   2ln7.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             2504   parsed_2ln7   1   
        1   2ln7.mr   .   .    XPLOR/CNS     3   "dihedral angle"          "Not applicable"    "Not applicable"     189   parsed_2ln7   1   
        1   2ln7.mr   .   .    XPLOR/CNS     4   "dihedral angle"          "Not applicable"    "Not applicable"      39   parsed_2ln7   1   
        1   2ln7.mr   .   .    XPLOR/CNS     5    distance                 "hydrogen bond"      simple                0   parsed_2ln7   1   
        1   2ln7.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_2ln7   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_5
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2ln7 
    _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_comment_org.ID 
        _Dist_constraint_comment_org.Comment_text 
        _Dist_constraint_comment_org.Comment_begin_line 
        _Dist_constraint_comment_org.Comment_begin_column 
        _Dist_constraint_comment_org.Comment_end_line 
        _Dist_constraint_comment_org.Comment_end_column 
        _Dist_constraint_comment_org.Entry_ID 
        _Dist_constraint_comment_org.Distance_constraint_list_ID 

        1   "hold C122 in place"    59   75   59   95   parsed_2ln7   1   
    stop_


    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 ( acc and resid 32 and name O  ) (don and resid 13 and name HN  )"       2   1    2   72   parsed_2ln7   1   
         2   "assign ( acc and resid 30 and name O  ) (don and resid 17 and name HN  )"       3   1    3   72   parsed_2ln7   1   
         3   "assign ( acc and resid 85 and name O  ) (don and resid 18 and name HN  )"       4   1    4   72   parsed_2ln7   1   
         4   "assign ( acc and resid 28 and name O  ) (don and resid 19 and name HN  )"       5   1    5   72   parsed_2ln7   1   
         5   "assign ( acc and resid 83 and name O  ) (don and resid 20 and name HN  )"       6   1    6   72   parsed_2ln7   1   
         6   "assign ( acc and resid 26 and name O  ) (don and resid 21 and name HN  )"       7   1    7   72   parsed_2ln7   1   
         7   "assign ( acc and resid 22 and name O  ) (don and resid 25 and name HN  )"       8   1    8   72   parsed_2ln7   1   
         8   "assign ( acc and resid 21 and name O  ) (don and resid 26 and name HN  )"       9   1    9   72   parsed_2ln7   1   
         9   "assign ( acc and resid 19 and name O  ) (don and resid 28 and name HN  )"      10   1   10   72   parsed_2ln7   1   
        10   "assign ( acc and resid 17 and name O  ) (don and resid 30 and name HN  )"      11   1   11   72   parsed_2ln7   1   
        11   "assign ( acc and resid 43 and name O  ) (don and resid 31 and name HN  )"      12   1   12   72   parsed_2ln7   1   
        12   "assign ( acc and resid 14 and name O  ) (don and resid 32 and name HN  )"      13   1   13   72   parsed_2ln7   1   
        13   "assign ( acc and resid 45 and name O  ) (don and resid 33 and name HN  )"      14   1   14   72   parsed_2ln7   1   
        14   "assign ( acc and resid 63 and name O  ) (don and resid 44 and name HN  )"      15   1   15   72   parsed_2ln7   1   
        15   "assign ( acc and resid 31 and name O  ) (don and resid 45 and name HN  )"      16   1   16   72   parsed_2ln7   1   
        16   "assign ( acc and resid 61 and name O  ) (don and resid 46 and name HN  )"      17   1   17   72   parsed_2ln7   1   
        17   "assign ( acc and resid 116 and name O  ) (don and resid 60 and name HN  )"     18   1   18   73   parsed_2ln7   1   
        18   "assign ( acc and resid 118 and name O  ) (don and resid 62 and name HN  )"     19   1   19   73   parsed_2ln7   1   
        19   "assign ( acc and resid 44 and name O  ) (don and resid 63 and name HN  )"      20   1   20   72   parsed_2ln7   1   
        20   "assign ( acc and resid 120 and name O  ) (don and resid 64 and name HN  )"     21   1   21   73   parsed_2ln7   1   
        21   "assign ( acc and resid 71 and name O  ) (don and resid 75 and name HN  )"      22   1   22   72   parsed_2ln7   1   
        22   "assign ( acc and resid 72 and name O  ) (don and resid 76 and name HN  )"      23   1   23   72   parsed_2ln7   1   
        23   "assign ( acc and resid 93 and name O  ) (don and resid 82 and name HN  )"      24   1   24   72   parsed_2ln7   1   
        24   "assign ( acc and resid 20 and name O  ) (don and resid 83 and name HN  )"      25   1   25   72   parsed_2ln7   1   
        25   "assign ( acc and resid 91 and name O  ) (don and resid 84 and name HN  )"      26   1   26   72   parsed_2ln7   1   
        26   "assign ( acc and resid 18 and name O  ) (don and resid 85 and name HN  )"      27   1   27   72   parsed_2ln7   1   
        27   "assign ( acc and resid 89 and name O  ) (don and resid 86 and name HN  )"      28   1   28   72   parsed_2ln7   1   
        28   "assign ( acc and resid 86 and name O  ) (don and resid 89 and name HN  )"      29   1   29   72   parsed_2ln7   1   
        29   "assign ( acc and resid 84 and name O  ) (don and resid 91 and name HN  )"      30   1   30   72   parsed_2ln7   1   
        30   "assign ( acc and resid 143 and name O  ) (don and resid 92 and name HN  )"     31   1   31   73   parsed_2ln7   1   
        31   "assign ( acc and resid 82 and name O  ) (don and resid 93 and name HN  )"      32   1   32   72   parsed_2ln7   1   
        32   "assign ( acc and resid 140 and name O  ) (don and resid 94 and name HN  )"     33   1   33   73   parsed_2ln7   1   
        33   "assign ( acc and resid 80 and name O  ) (don and resid 95 and name HN  )"      34   1   34   72   parsed_2ln7   1   
        34   "assign ( acc and resid 138 and name O  ) (don and resid 96 and name HN  )"     35   1   35   73   parsed_2ln7   1   
        35   "assign ( acc and resid 136 and name O  ) (don and resid 99 and name HN  )"     36   1   36   73   parsed_2ln7   1   
        36   "assign ( acc and resid 134 and name O  ) (don and resid 101 and name HN  )"    37   1   37   74   parsed_2ln7   1   
        37   "assign ( acc and resid 106 and name O  ) (don and resid 110 and name HN  )"    38   1   38   74   parsed_2ln7   1   
        38   "assign ( acc and resid 58 and name O  ) (don and resid 116 and name HN  )"     39   1   39   73   parsed_2ln7   1   
        39   "assign ( acc and resid 139 and name O  ) (don and resid 117 and name HN  )"    40   1   40   74   parsed_2ln7   1   
        40   "assign ( acc and resid 60 and name O  ) (don and resid 118 and name HN  )"     41   1   41   73   parsed_2ln7   1   
        41   "assign ( acc and resid 137 and name O  ) (don and resid 119 and name HN  )"    42   1   42   74   parsed_2ln7   1   
        42   "assign ( acc and resid 62 and name O  ) (don and resid 120 and name HN  )"     43   1   43   73   parsed_2ln7   1   
        43   "assign ( acc and resid 135 and name O  ) (don and resid 121 and name HN  )"    44   1   44   74   parsed_2ln7   1   
        44   "assign ( acc and resid 101 and name O  ) (don and resid 134 and name HN  )"    45   1   45   74   parsed_2ln7   1   
        45   "assign ( acc and resid 121 and name O  ) (don and resid 135 and name HN  )"    46   1   46   74   parsed_2ln7   1   
        46   "assign ( acc and resid 99 and name O  ) (don and resid 136 and name HN  )"     47   1   47   73   parsed_2ln7   1   
        47   "assign ( acc and resid 119 and name O  ) (don and resid 137 and name HN  )"    48   1   48   74   parsed_2ln7   1   
        48   "assign ( acc and resid 97 and name O  ) (don and resid 138 and name HN  )"     49   1   49   73   parsed_2ln7   1   
        49   "assign ( acc and resid 117 and name O  ) (don and resid 139 and name HN  )"    50   1   50   74   parsed_2ln7   1   
        50   "assign ( acc and resid 94 and name O  ) (don and resid 140 and name HN  )"     51   1   51   73   parsed_2ln7   1   
        51   "assign ( acc and resid 115 and name O  ) (don and resid 141 and name HN  )"    52   1   52   74   parsed_2ln7   1   
        52   "assign ( acc and resid 92 and name O  ) (don and resid 142 and name HN  )"     53   1   53   73   parsed_2ln7   1   
        53   "assign ( acc and resid 92 and name O  ) (don and resid 143 and name HN  )"     54   1   54   73   parsed_2ln7   1   
        54   "assign ( acc and resid 90 and name O  ) (don and resid 145 and name HN  )"     55   1   55   73   parsed_2ln7   1   
        55   "assign ( acc and resid 88 and name O  ) (don and resid 147 and name HN  )"     56   1   56   73   parsed_2ln7   1   
        56   "assign ( acc and resid 59 and name O  ) (don and resid 52 and name HN  )"      57   1   57   72   parsed_2ln7   1   
        57   "assign ( acc and resid 122 and name O  ) (don and resid 66 and name HN  )"     58   1   58   73   parsed_2ln7   1   
        58   "assign ( acc and resid 64 and name O  ) (don and resid 122 and name HN  )"     59   1   59   73   parsed_2ln7   1   
    stop_

save_





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