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
540649 2lnj 18167 cing 2-parsed STAR distance hydrogen bond simple


data_2lnj_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2lnj 
    _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_2lnj   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2lnj 
    _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   2lnj   "Master copy"    parsed_2lnj   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2lnj 
    _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   2lnj.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"       0   parsed_2lnj   1   
        1   2lnj.mr   .   .    XPLOR/CNS     2    distance                  NOE                 simple             2284   parsed_2lnj   1   
        1   2lnj.mr   .   .    XPLOR/CNS     3   "dihedral angle"          "Not applicable"    "Not applicable"     301   parsed_2lnj   1   
        1   2lnj.mr   .   .    XPLOR/CNS     4    distance                 "hydrogen bond"      simple                0   parsed_2lnj   1   
        1   2lnj.mr   .   .   "MR format"    5   "nomenclature mapping"    "Not applicable"    "Not applicable"       0   parsed_2lnj   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_4
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2lnj 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type    "hydrogen bond" 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            4 
    _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   "assi (acc and resi   46 and name O) (don and resi   33 and name HN)"     1   1    1   67   parsed_2lnj   1   
         2   "assi (acc and resi   44 and name O) (don and resi   35 and name HN)"     2   1    2   67   parsed_2lnj   1   
         3   "assi (acc and resi   42 and name O) (don and resi   37 and name HN)"     3   1    3   67   parsed_2lnj   1   
         4   "assi (acc and resi   37 and name O) (don and resi   42 and name HN)"     4   1    4   67   parsed_2lnj   1   
         5   "assi (acc and resi   35 and name O) (don and resi   44 and name HN)"     5   1    5   67   parsed_2lnj   1   
         6   "assi (acc and resi   33 and name O) (don and resi   46 and name HN)"     6   1    6   67   parsed_2lnj   1   
         7   "assi (acc and resi  186 and name O) (don and resi   43 and name HN)"     7   1    7   67   parsed_2lnj   1   
         8   "assi (acc and resi   43 and name O) (don and resi  186 and name HN)"     8   1    8   67   parsed_2lnj   1   
         9   "assi (acc and resi   41 and name O) (don and resi  188 and name HN)"     9   1    9   67   parsed_2lnj   1   
        10   "assi (acc and resi   65 and name O) (don and resi   53 and name HN)"    10   1   10   67   parsed_2lnj   1   
        11   "assi (acc and resi   67 and name O) (don and resi   51 and name HN)"    11   1   11   67   parsed_2lnj   1   
        12   "assi (acc and resi   51 and name O) (don and resi   67 and name HN)"    12   1   12   67   parsed_2lnj   1   
        13   "assi (acc and resi   53 and name O) (don and resi   65 and name HN)"    13   1   13   67   parsed_2lnj   1   
        14   "assi (acc and resi   64 and name O) (don and resi   78 and name HN)"    14   1   14   67   parsed_2lnj   1   
        15   "assi (acc and resi   66 and name O) (don and resi   76 and name HN)"    15   1   15   67   parsed_2lnj   1   
        16   "assi (acc and resi   76 and name O) (don and resi   66 and name HN)"    16   1   16   67   parsed_2lnj   1   
        17   "assi (acc and resi   78 and name O) (don and resi   64 and name HN)"    17   1   17   67   parsed_2lnj   1   
        18   "assi (acc and resi  165 and name O) (don and resi   75 and name HN)"    18   1   18   67   parsed_2lnj   1   
        19   "assi (acc and resi  163 and name O) (don and resi   77 and name HN)"    19   1   19   67   parsed_2lnj   1   
        20   "assi (acc and resi  161 and name O) (don and resi   79 and name HN)"    20   1   20   67   parsed_2lnj   1   
        21   "assi (acc and resi  159 and name O) (don and resi   81 and name HN)"    21   1   21   67   parsed_2lnj   1   
        22   "assi (acc and resi  157 and name O) (don and resi   83 and name HN)"    22   1   22   67   parsed_2lnj   1   
        23   "assi (acc and resi   81 and name O) (don and resi  159 and name HN)"    23   1   23   67   parsed_2lnj   1   
        24   "assi (acc and resi   79 and name O) (don and resi  161 and name HN)"    24   1   24   67   parsed_2lnj   1   
        25   "assi (acc and resi   77 and name O) (don and resi  163 and name HN)"    25   1   25   67   parsed_2lnj   1   
        26   "assi (acc and resi   75 and name O) (don and resi  165 and name HN)"    26   1   26   67   parsed_2lnj   1   
        27   "assi (acc and resi   88 and name O) (don and resi   92 and name HN)"    27   1   27   67   parsed_2lnj   1   
        28   "assi (acc and resi   89 and name O) (don and resi   93 and name HN)"    28   1   28   67   parsed_2lnj   1   
        29   "assi (acc and resi   94 and name O) (don and resi   98 and name HN)"    29   1   29   67   parsed_2lnj   1   
        30   "assi (acc and resi   95 and name O) (don and resi   99 and name HN)"    30   1   30   67   parsed_2lnj   1   
        31   "assi (acc and resi   96 and name O) (don and resi  100 and name HN)"    31   1   31   67   parsed_2lnj   1   
        32   "assi (acc and resi   97 and name O) (don and resi  101 and name HN)"    32   1   32   67   parsed_2lnj   1   
        33   "assi (acc and resi   98 and name O) (don and resi  102 and name HN)"    33   1   33   67   parsed_2lnj   1   
        34   "assi (acc and resi   99 and name O) (don and resi  103 and name HN)"    34   1   34   67   parsed_2lnj   1   
        35   "assi (acc and resi  100 and name O) (don and resi  104 and name HN)"    35   1   35   67   parsed_2lnj   1   
        36   "assi (acc and resi  101 and name O) (don and resi  105 and name HN)"    36   1   36   67   parsed_2lnj   1   
        37   "assi (acc and resi  102 and name O) (don and resi  106 and name HN)"    37   1   37   67   parsed_2lnj   1   
        38   "assi (acc and resi  103 and name O) (don and resi  107 and name HN)"    38   1   38   67   parsed_2lnj   1   
        39   "assi (acc and resi  104 and name O) (don and resi  108 and name HN)"    39   1   39   67   parsed_2lnj   1   
        40   "assi (acc and resi  139 and name O) (don and resi  115 and name HN)"    40   1   40   67   parsed_2lnj   1   
        41   "assi (acc and resi  137 and name O) (don and resi  117 and name HN)"    41   1   41   67   parsed_2lnj   1   
        42   "assi (acc and resi  135 and name O) (don and resi  119 and name HN)"    42   1   42   67   parsed_2lnj   1   
        43   "assi (acc and resi  135 and name O) (don and resi  120 and name HN)"    43   1   43   67   parsed_2lnj   1   
        44   "assi (acc and resi  133 and name O) (don and resi  122 and name HN)"    44   1   44   67   parsed_2lnj   1   
        45   "assi (acc and resi  131 and name O) (don and resi  124 and name HN)"    45   1   45   67   parsed_2lnj   1   
        46   "assi (acc and resi  129 and name O) (don and resi  126 and name HN)"    46   1   46   67   parsed_2lnj   1   
        47   "assi (acc and resi  115 and name O) (don and resi  139 and name HN)"    47   1   47   67   parsed_2lnj   1   
        48   "assi (acc and resi  117 and name O) (don and resi  137 and name HN)"    48   1   48   67   parsed_2lnj   1   
        49   "assi (acc and resi  120 and name O) (don and resi  135 and name HN)"    49   1   49   67   parsed_2lnj   1   
        50   "assi (acc and resi  122 and name O) (don and resi  133 and name HN)"    50   1   50   67   parsed_2lnj   1   
        51   "assi (acc and resi  124 and name O) (don and resi  131 and name HN)"    51   1   51   67   parsed_2lnj   1   
        52   "assi (acc and resi  126 and name O) (don and resi  129 and name HN)"    52   1   52   67   parsed_2lnj   1   
        53   "assi (acc and resi  152 and name O) (don and resi  132 and name HN)"    53   1   53   67   parsed_2lnj   1   
        54   "assi (acc and resi  150 and name O) (don and resi  134 and name HN)"    54   1   54   67   parsed_2lnj   1   
        55   "assi (acc and resi  148 and name O) (don and resi  136 and name HN)"    55   1   55   67   parsed_2lnj   1   
        56   "assi (acc and resi  146 and name O) (don and resi  138 and name HN)"    56   1   56   67   parsed_2lnj   1   
        57   "assi (acc and resi  138 and name O) (don and resi  146 and name HN)"    57   1   57   67   parsed_2lnj   1   
        58   "assi (acc and resi  136 and name O) (don and resi  148 and name HN)"    58   1   58   67   parsed_2lnj   1   
        59   "assi (acc and resi  134 and name O) (don and resi  150 and name HN)"    59   1   59   67   parsed_2lnj   1   
        60   "assi (acc and resi  132 and name O) (don and resi  152 and name HN)"    60   1   60   67   parsed_2lnj   1   
        61   "assi (acc and resi  164 and name O) (don and resi  149 and name HN)"    61   1   61   67   parsed_2lnj   1   
        62   "assi (acc and resi  162 and name O) (don and resi  151 and name HN)"    62   1   62   67   parsed_2lnj   1   
        63   "assi (acc and resi  160 and name O) (don and resi  153 and name HN)"    63   1   63   67   parsed_2lnj   1   
        64   "assi (acc and resi  158 and name O) (don and resi  155 and name HN)"    64   1   64   67   parsed_2lnj   1   
        65   "assi (acc and resi  153 and name O) (don and resi  160 and name HN)"    65   1   65   67   parsed_2lnj   1   
        66   "assi (acc and resi  151 and name O) (don and resi  162 and name HN)"    66   1   66   67   parsed_2lnj   1   
        67   "assi (acc and resi  149 and name O) (don and resi  164 and name HN)"    67   1   67   67   parsed_2lnj   1   
        68   "assi (acc and resi  174 and name O) (don and resi  178 and name HN)"    68   1   68   67   parsed_2lnj   1   
        69   "assi (acc and resi  175 and name O) (don and resi  179 and name HN)"    69   1   69   67   parsed_2lnj   1   
        70   "assi (acc and resi  176 and name O) (don and resi  180 and name HN)"    70   1   70   67   parsed_2lnj   1   
        71   "assi (acc and resi  177 and name O) (don and resi  181 and name HN)"    71   1   71   67   parsed_2lnj   1   
        72   "assi (acc and resi  178 and name O) (don and resi  182 and name HN)"    72   1   72   67   parsed_2lnj   1   
        73   "assi (acc and resi  179 and name O) (don and resi  183 and name HN)"    73   1   73   67   parsed_2lnj   1   
        74   "assi (acc and resi  180 and name O) (don and resi  184 and name HN)"    74   1   74   67   parsed_2lnj   1   
        75   "assi (acc and resi  181 and name O) (don and resi  185 and name HN)"    75   1   75   67   parsed_2lnj   1   
    stop_

save_





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