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 item_count
568836 2m5i 19054 cing 2-parsed STAR distance general distance simple 2


data_2m5i_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2m5i 
    _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_2m5i   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2m5i 
    _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   2m5i   "Master copy"    parsed_2m5i   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2m5i 
    _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   2m5i.mr   .   .   "MR format"    1    comment                  "Not applicable"      "Not applicable"      0   parsed_2m5i   1   
        1   2m5i.mr   .   .    XPLOR/CNS     2    distance                  NOE                   ambi               931   parsed_2m5i   1   
        1   2m5i.mr   .   .    XPLOR/CNS     3   "dihedral angle"          "Not applicable"      "Not applicable"    144   parsed_2m5i   1   
        1   2m5i.mr   .   .    XPLOR/CNS     4    unknown                  "Not applicable"      "Not applicable"      0   parsed_2m5i   1   
        1   2m5i.mr   .   .    XPLOR/CNS     5    distance                 "hydrogen bond"        simple              80   parsed_2m5i   1   
        1   2m5i.mr   .   .    XPLOR/CNS     6    distance                 "general distance"     simple               2   parsed_2m5i   1   
        1   2m5i.mr   .   .   "MR format"    7   "nomenclature mapping"    "Not applicable"      "Not applicable"      0   parsed_2m5i   1   
    stop_

save_


save_CNS/XPLOR_distance_constraints_6
    _Distance_constraint_list.Sf_category         distance_constraints 
    _Distance_constraint_list.Entry_ID            parsed_2m5i 
    _Distance_constraint_list.ID                  1 
    _Distance_constraint_list.Constraint_type    "general distance" 
    _Distance_constraint_list.Constraint_file_ID  1 
    _Distance_constraint_list.Block_ID            6 
    _Distance_constraint_list.Details            "Generated by Wattos" 

    loop_
        _Dist_constraint_tree.Constraint_ID 
        _Dist_constraint_tree.Node_ID 
        _Dist_constraint_tree.Down_node_ID 
        _Dist_constraint_tree.Right_node_ID 
        _Dist_constraint_tree.Logic_operation 
        _Dist_constraint_tree.Entry_ID 
        _Dist_constraint_tree.Distance_constraint_list_ID 

        1   1   .   .   .   parsed_2m5i   1   
        2   1   .   .   .   parsed_2m5i   1   
    stop_


    loop_
        _Dist_constraint.Tree_node_member_constraint_ID 
        _Dist_constraint.Tree_node_member_node_ID 
        _Dist_constraint.Constraint_tree_node_member_ID 
        _Dist_constraint.Assembly_atom_ID 
        _Dist_constraint.Entity_assembly_ID 
        _Dist_constraint.Entity_ID 
        _Dist_constraint.Comp_index_ID 
        _Dist_constraint.Seq_ID 
        _Dist_constraint.Comp_ID 
        _Dist_constraint.Atom_ID 
        _Dist_constraint.Resonance_ID 
        _Dist_constraint.Auth_asym_ID 
        _Dist_constraint.Auth_seq_ID 
        _Dist_constraint.Auth_comp_ID 
        _Dist_constraint.Auth_atom_ID 
        _Dist_constraint.Entry_ID 
        _Dist_constraint.Distance_constraint_list_ID 

        1   1   1   .   .   .   .   .   .   .   .   .   78   .   CB   parsed_2m5i   1   
        1   1   2   .   .   .   .   .   .   .   .   .   74   .   HN   parsed_2m5i   1   
        2   1   1   .   .   .   .   .   .   .   .   .   78   .   CB   parsed_2m5i   1   
        2   1   2   .   .   .   .   .   .   .   .   .   76   .   HN   parsed_2m5i   1   
    stop_


    loop_
        _Dist_constraint_value.Constraint_ID 
        _Dist_constraint_value.Tree_node_ID 
        _Dist_constraint_value.Source_experiment_ID 
        _Dist_constraint_value.Spectral_peak_ID 
        _Dist_constraint_value.Intensity_val 
        _Dist_constraint_value.Intensity_lower_val_err 
        _Dist_constraint_value.Intensity_upper_val_err 
        _Dist_constraint_value.Distance_val 
        _Dist_constraint_value.Distance_lower_bound_val 
        _Dist_constraint_value.Distance_upper_bound_val 
        _Dist_constraint_value.Entry_ID 
        _Dist_constraint_value.Distance_constraint_list_ID 

        1   1   .   .   .   .   .   10.0   5.0   15.0   parsed_2m5i   1   
        2   1   .   .   .   .   .   10.0   5.0   15.0   parsed_2m5i   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 ( resid 78   and name CB   ) ( resdi 76   and name HN  )  15.0  5.0  5.0"       1   1    1   79   parsed_2m5i   1   
         2   "assign ( resid 78   and name CB   ) ( resdi 79   and name HN  )  10.0  5.0  5.0"       2   1    2   79   parsed_2m5i   1   
         3   "assign ( resid 78   and name CB   ) ( resdi 84   and name HN  )  10.0  5.0  5.0"       5   1    5   79   parsed_2m5i   1   
         4   "assign ( resid 78   and name CB   ) ( resdi 85   and name HN  )  10.0  5.0  5.0"       6   1    6   79   parsed_2m5i   1   
         5   "assign ( resid 78   and name CB   ) ( resdi 86   and name HN  )  10.0  5.0  5.0"       7   1    7   79   parsed_2m5i   1   
         6   "assign ( resid 78   and name CB   ) ( resdi 87   and name HN  )  15.0  5.0  5.0"       8   1    8   79   parsed_2m5i   1   
         7   "assign ( resid 78   and name CB   ) ( resdi 88   and name HN  )  15.0  5.0  5.0"       9   1    9   79   parsed_2m5i   1   
         8   "assign ( resid 78   and name CB   ) ( resdi 90   and name HN  )  20.0  6.0  6.0"      10   1   10   79   parsed_2m5i   1   
         9   "assign ( resid 78   and name CB   ) ( resdi 92   and name HN  )  25.0  7.0  7.0"      11   1   11   79   parsed_2m5i   1   
        10   "assign ( resid 78   and name CB   ) ( resdi 93   and name HN  )  25.0  7.0  7.0"      12   1   12   79   parsed_2m5i   1   
        11   "assign ( resid 78   and name CB   ) ( resdi 94   and name HN  )  25.0  7.0  7.0"      13   1   13   79   parsed_2m5i   1   
        12   "assign ( resid 78   and name CB   ) ( resdi 185   and name HN  )  25.0  7.0  7.0"     14   1   14   80   parsed_2m5i   1   
        13   "assign ( resid 78   and name CB   ) ( resdi 186   and name HN  )  30.0  8.0  8.0"     15   1   15   80   parsed_2m5i   1   
        14   "assign ( resid 78   and name CB   ) ( resdi 187   and name HN  )  25.0  7.0  7.0"     16   1   16   80   parsed_2m5i   1   
        15   "assign ( resid 78   and name CB   ) ( resdi 188   and name HN  )  30.0  8.0  8.0"     17   1   17   80   parsed_2m5i   1   
        16   "assign ( resid 78   and name CB   ) ( resdi 189   and name HN  )  30.0  8.0  8.0"     18   1   18   80   parsed_2m5i   1   
        17   "assign ( resid 78   and name CB   ) ( resdi 190   and name HN  )  25.0  7.0  7.0"     19   1   19   80   parsed_2m5i   1   
        18   "assign ( resid 78   and name CB   ) ( resdi 191   and name HN  )  30.0  8.0  8.0"     20   1   20   80   parsed_2m5i   1   
        19   "assign ( resdi 136   and name CB   ) ( resdi 131   and name HN  )  10.0  5.0  5.0"    21   1   21   81   parsed_2m5i   1   
        20   "assign ( resdi 136   and name CB   ) ( resdi 130   and name HN  )  10.0  5.0  5.0"    22   1   22   81   parsed_2m5i   1   
        21   "assign ( resdi 136   and name CB   ) ( resdi 132   and name HN  )  10.0  5.0  5.0"    23   1   23   81   parsed_2m5i   1   
        22   "assign ( resdi 136   and name CB   ) ( resdi 133   and name HN  )  10.0  5.0  5.0"    24   1   24   81   parsed_2m5i   1   
        23   "assign ( resdi 136   and name CB   ) ( resdi 138   and name HN  )  10.0  5.0  5.0"    25   1   25   81   parsed_2m5i   1   
        24   "assign ( resdi 136   and name CB   ) ( resdi 140   and name HN  )  10.0  5.0  5.0"    26   1   26   81   parsed_2m5i   1   
        25   "assign ( resdi 136   and name CB   ) ( resdi 142   and name HN  )  15.0  5.0  5.0"    27   1   27   81   parsed_2m5i   1   
        26   "assign ( resdi 136   and name CB   ) ( resdi 146   and name HN  )  15.0  5.0  5.0"    28   1   28   81   parsed_2m5i   1   
        27   "assign ( resdi 136   and name CB   ) ( resdi 149   and name HN  )  20.0  6.0  6.0"    29   1   29   81   parsed_2m5i   1   
        28   "assign ( resdi 136   and name CB   ) ( resdi 129   and name HN  )  15.0  5.0  5.0"    30   1   30   81   parsed_2m5i   1   
        29   "assign ( resdi 136   and name CB   ) ( resdi 127   and name HN  )  15.0  5.0  5.0"    31   1   31   81   parsed_2m5i   1   
        30   "assign ( resdi 136   and name CB   ) ( resdi 126   and name HN  )  20.0  6.0  6.0"    32   1   32   81   parsed_2m5i   1   
        31   "assign ( resdi 136   and name CB   ) ( resdi 124   and name HN  )  20.0  6.0  6.0"    33   1   33   81   parsed_2m5i   1   
        32   "assign ( resdi 136   and name CB   ) ( resdi 120   and name HN  )  20.0  6.0  6.0"    34   1   34   81   parsed_2m5i   1   
        33   "assign ( resdi 136   and name CB   ) ( resdi 119   and name HN  )  25.0  7.0  7.0"    35   1   35   81   parsed_2m5i   1   
        34   "assign ( resdi 136   and name CB   ) ( resdi 118   and name HN  )  20.0  6.0  6.0"    36   1   36   81   parsed_2m5i   1   
        35   "assign ( resdi 136   and name CB   ) ( resdi 117   and name HN  )  20.0  6.0  6.0"    37   1   37   81   parsed_2m5i   1   
        36   "assign ( resdi 136   and name CB   ) ( resdi 116   and name HN  )  25.0  7.0  7.0"    38   1   38   81   parsed_2m5i   1   
        37   "assign ( resdi 136   and name CB   ) ( resdi 115   and name HN  )  25.0  7.0  7.0"    39   1   39   81   parsed_2m5i   1   
        38   "assign ( resdi 136   and name CB   ) ( resdi 114   and name HN  )  25.0  7.0  7.0"    40   1   40   81   parsed_2m5i   1   
        39   "assign ( resdi 136   and name CB   ) ( resdi 113   and name HN  )  30.0  8.0  8.0"    41   1   41   81   parsed_2m5i   1   
        40   "assign ( resdi 180   and name CB   ) ( resdi 176   and name HN  )  10.0  5.0  5.0"    42   1   42   81   parsed_2m5i   1   
        41   "assign ( resdi 180   and name CB   ) ( resdi 184   and name HN  )  10.0  5.0  5.0"    43   1   43   81   parsed_2m5i   1   
        42   "assign ( resdi 180   and name CB   ) ( resdi 185   and name HN  )  10.0  5.0  5.0"    44   1   44   81   parsed_2m5i   1   
        43   "assign ( resdi 180   and name CB   ) ( resdi 186   and name HN  )  15.0  5.0  5.0"    45   1   45   81   parsed_2m5i   1   
        44   "assign ( resdi 180   and name CB   ) ( resdi 187   and name HN  )  15.0  5.0  5.0"    46   1   46   81   parsed_2m5i   1   
        45   "assign ( resdi 180   and name CB   ) ( resdi 188   and name HN  )  15.0  5.0  5.0"    47   1   47   81   parsed_2m5i   1   
        46   "assign ( resdi 180   and name CB   ) ( resdi 189   and name HN  )  15.0  5.0  5.0"    48   1   48   81   parsed_2m5i   1   
        47   "assign ( resdi 180   and name CB   ) ( resdi 190   and name HN  )  20.0  6.0  6.0"    49   1   49   81   parsed_2m5i   1   
        48   "assign ( resdi 180   and name CB   ) ( resdi 193   and name HN  )  20.0  6.0  6.0"    50   1   50   81   parsed_2m5i   1   
        49   "assign ( resdi 180   and name CB   ) ( resdi 194   and name HN  )  20.0  6.0  6.0"    51   1   51   81   parsed_2m5i   1   
        50   "assign ( resdi 180   and name CB   ) ( resdi 73   and name HN  )  30.0  8.0  8.0"     52   1   52   80   parsed_2m5i   1   
    stop_

save_





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