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 item_count
555211 2lns 18178 cing 2-parsed STAR dipolar coupling 95


data_2lns_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2lns 
    _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_2lns   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2lns 
    _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   2lns   "Master copy"    parsed_2lns   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2lns 
    _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   2lns.mr   .   .   "MR format"    1    comment                  "Not applicable"      "Not applicable"      0   parsed_2lns   1   
        1   2lns.mr   .   .    XPLOR/CNS     2    distance                  NOE                   simple             547   parsed_2lns   1   
        1   2lns.mr   .   .    XPLOR/CNS     3    distance                 "general distance"     ambi                48   parsed_2lns   1   
        1   2lns.mr   .   .    XPLOR/CNS     4    distance                 "hydrogen bond"        simple              37   parsed_2lns   1   
        1   2lns.mr   .   .    XPLOR/CNS     5   "dipolar coupling"        "Not applicable"      "Not applicable"     95   parsed_2lns   1   
        1   2lns.mr   .   .    XPLOR/CNS     6   "dihedral angle"          "Not applicable"      "Not applicable"      0   parsed_2lns   1   
        1   2lns.mr   .   .   "MR format"    7   "nomenclature mapping"    "Not applicable"      "Not applicable"      0   parsed_2lns   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_5
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_2lns 
    _RDC_constraint_list.ID                  1 
    _RDC_constraint_list.Constraint_file_ID  1 
    _RDC_constraint_list.Block_ID            5 
    _RDC_constraint_list.Details            "Generated by Wattos" 

    loop_
        _RDC_constraint.ID 
        _RDC_constraint.Assembly_atom_ID_1 
        _RDC_constraint.Entity_assembly_ID_1 
        _RDC_constraint.Entity_ID_1 
        _RDC_constraint.Comp_index_ID_1 
        _RDC_constraint.Seq_ID_1 
        _RDC_constraint.Comp_ID_1 
        _RDC_constraint.Atom_ID_1 
        _RDC_constraint.Resonance_ID_1 
        _RDC_constraint.Assembly_atom_ID_2 
        _RDC_constraint.Entity_assembly_ID_2 
        _RDC_constraint.Entity_ID_2 
        _RDC_constraint.Comp_index_ID_2 
        _RDC_constraint.Seq_ID_2 
        _RDC_constraint.Comp_ID_2 
        _RDC_constraint.Atom_ID_2 
        _RDC_constraint.Resonance_ID_2 
        _RDC_constraint.RDC_val 
        _RDC_constraint.RDC_lower_bound 
        _RDC_constraint.RDC_upper_bound 
        _RDC_constraint.RDC_val_err 
        _RDC_constraint.Source_experiment_ID 
        _RDC_constraint.Auth_asym_ID_1 
        _RDC_constraint.Auth_seq_ID_1 
        _RDC_constraint.Auth_comp_ID_1 
        _RDC_constraint.Auth_atom_ID_1 
        _RDC_constraint.Auth_asym_ID_2 
        _RDC_constraint.Auth_seq_ID_2 
        _RDC_constraint.Auth_comp_ID_2 
        _RDC_constraint.Auth_atom_ID_2 
        _RDC_constraint.Entry_ID 
        _RDC_constraint.RDC_constraint_list_ID 

         1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    17.738   .   .   .   .   .    56   .   H   .    56   .   N   parsed_2lns   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    20.456   .   .   .   .   .    57   .   H   .    57   .   N   parsed_2lns   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.747   .   .   .   .   .    58   .   H   .    58   .   N   parsed_2lns   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.886   .   .   .   .   .    60   .   H   .    60   .   N   parsed_2lns   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.893   .   .   .   .   .    61   .   H   .    61   .   N   parsed_2lns   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -19.342   .   .   .   .   .    62   .   H   .    62   .   N   parsed_2lns   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -16.931   .   .   .   .   .    63   .   H   .    63   .   N   parsed_2lns   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.442   .   .   .   .   .    64   .   H   .    64   .   N   parsed_2lns   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -14.379   .   .   .   .   .    65   .   H   .    65   .   N   parsed_2lns   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -19.789   .   .   .   .   .    66   .   H   .    66   .   N   parsed_2lns   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -13.208   .   .   .   .   .    67   .   H   .    67   .   N   parsed_2lns   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.805   .   .   .   .   .    68   .   H   .    68   .   N   parsed_2lns   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.948   .   .   .   .   .    72   .   H   .    72   .   N   parsed_2lns   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.31    .   .   .   .   .    75   .   H   .    75   .   N   parsed_2lns   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.886   .   .   .   .   .    76   .   H   .    76   .   N   parsed_2lns   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.503   .   .   .   .   .    79   .   H   .    79   .   N   parsed_2lns   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.474   .   .   .   .   .    80   .   H   .    80   .   N   parsed_2lns   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.922   .   .   .   .   .    81   .   H   .    81   .   N   parsed_2lns   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.824   .   .   .   .   .    83   .   H   .    83   .   N   parsed_2lns   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.207   .   .   .   .   .    87   .   H   .    87   .   N   parsed_2lns   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.214   .   .   .   .   .    89   .   H   .    89   .   N   parsed_2lns   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.378   .   .   .   .   .    90   .   H   .    90   .   N   parsed_2lns   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.74    .   .   .   .   .    92   .   H   .    92   .   N   parsed_2lns   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.921   .   .   .   .   .    95   .   H   .    95   .   N   parsed_2lns   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    19.881   .   .   .   .   .    96   .   H   .    96   .   N   parsed_2lns   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    16.48    .   .   .   .   .    98   .   H   .    98   .   N   parsed_2lns   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.698   .   .   .   .   .    99   .   H   .    99   .   N   parsed_2lns   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.249   .   .   .   .   .   100   .   H   .   100   .   N   parsed_2lns   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.362   .   .   .   .   .   103   .   H   .   103   .   N   parsed_2lns   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.362   .   .   .   .   .   104   .   H   .   104   .   N   parsed_2lns   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.522   .   .   .   .   .   106   .   H   .   106   .   N   parsed_2lns   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.954   .   .   .   .   .   107   .   H   .   107   .   N   parsed_2lns   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.582   .   .   .   .   .   127   .   H   .   127   .   N   parsed_2lns   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.154   .   .   .   .   .   128   .   H   .   128   .   N   parsed_2lns   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.441   .   .   .   .   .   131   .   H   .   131   .   N   parsed_2lns   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.44    .   .   .   .   .   132   .   H   .   132   .   N   parsed_2lns   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.326   .   .   .   .   .   134   .   H   .   134   .   N   parsed_2lns   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.651   .   .   .   .   .   135   .   H   .   135   .   N   parsed_2lns   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.779   .   .   .   .   .   136   .   H   .   136   .   N   parsed_2lns   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.813   .   .   .   .   .   137   .   H   .   137   .   N   parsed_2lns   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.964   .   .   .   .   .   138   .   H   .   138   .   N   parsed_2lns   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.229   .   .   .   .   .   139   .   H   .   139   .   N   parsed_2lns   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    21       .   .   .   .   .   140   .   H   .   140   .   N   parsed_2lns   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -19.29    .   .   .   .   .   156   .   H   .   156   .   N   parsed_2lns   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.828   .   .   .   .   .   157   .   H   .   157   .   N   parsed_2lns   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.744   .   .   .   .   .   158   .   H   .   158   .   N   parsed_2lns   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.506   .   .   .   .   .   159   .   H   .   159   .   N   parsed_2lns   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    11.31    .   .   .   .   .   161   .   H   .   161   .   N   parsed_2lns   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    11.691   .   .   .   .   .   162   .   H   .   162   .   N   parsed_2lns   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.19    .   .   .   .   .   166   .   H   .   166   .   N   parsed_2lns   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    11.387   .   .   .   .   .   168   .   H   .   168   .   N   parsed_2lns   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.94    .   .   .   .   .   169   .   H   .   169   .   N   parsed_2lns   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.973   .   .   .   .   .    57   .   H   .    57   .   N   parsed_2lns   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.259   .   .   .   .   .    58   .   H   .    58   .   N   parsed_2lns   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.888   .   .   .   .   .    59   .   H   .    59   .   N   parsed_2lns   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.322   .   .   .   .   .    60   .   H   .    60   .   N   parsed_2lns   1   
        57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.602   .   .   .   .   .    61   .   H   .    61   .   N   parsed_2lns   1   
        58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.156   .   .   .   .   .    62   .   H   .    62   .   N   parsed_2lns   1   
        59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.419   .   .   .   .   .    63   .   H   .    63   .   N   parsed_2lns   1   
        60   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.472   .   .   .   .   .    64   .   H   .    64   .   N   parsed_2lns   1   
        61   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.948   .   .   .   .   .    65   .   H   .    65   .   N   parsed_2lns   1   
        62   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.727   .   .   .   .   .    66   .   H   .    66   .   N   parsed_2lns   1   
        63   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.291   .   .   .   .   .    67   .   H   .    67   .   N   parsed_2lns   1   
        64   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.926   .   .   .   .   .    76   .   H   .    76   .   N   parsed_2lns   1   
        65   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.089   .   .   .   .   .    77   .   H   .    77   .   N   parsed_2lns   1   
        66   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.368   .   .   .   .   .    78   .   H   .    78   .   N   parsed_2lns   1   
        67   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    11.249   .   .   .   .   .    79   .   H   .    79   .   N   parsed_2lns   1   
        68   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.133   .   .   .   .   .    83   .   H   .    83   .   N   parsed_2lns   1   
        69   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.6     .   .   .   .   .    84   .   H   .    84   .   N   parsed_2lns   1   
        70   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.085   .   .   .   .   .    85   .   H   .    85   .   N   parsed_2lns   1   
        71   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.04    .   .   .   .   .    89   .   H   .    89   .   N   parsed_2lns   1   
        72   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.306   .   .   .   .   .    90   .   H   .    90   .   N   parsed_2lns   1   
        73   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.951   .   .   .   .   .    95   .   H   .    95   .   N   parsed_2lns   1   
        74   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.005   .   .   .   .   .    96   .   H   .    96   .   N   parsed_2lns   1   
        75   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.537   .   .   .   .   .    97   .   H   .    97   .   N   parsed_2lns   1   
        76   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.063   .   .   .   .   .    98   .   H   .    98   .   N   parsed_2lns   1   
        77   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.454   .   .   .   .   .    99   .   H   .    99   .   N   parsed_2lns   1   
        78   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.583   .   .   .   .   .   100   .   H   .   100   .   N   parsed_2lns   1   
        79   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.117   .   .   .   .   .   102   .   H   .   102   .   N   parsed_2lns   1   
        80   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.671   .   .   .   .   .   108   .   H   .   108   .   N   parsed_2lns   1   
        81   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    11.043   .   .   .   .   .   127   .   H   .   127   .   N   parsed_2lns   1   
        82   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.398   .   .   .   .   .   131   .   H   .   131   .   N   parsed_2lns   1   
        83   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.341   .   .   .   .   .   132   .   H   .   132   .   N   parsed_2lns   1   
        84   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.656   .   .   .   .   .   135   .   H   .   135   .   N   parsed_2lns   1   
        85   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.947   .   .   .   .   .   136   .   H   .   136   .   N   parsed_2lns   1   
        86   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.893   .   .   .   .   .   137   .   H   .   137   .   N   parsed_2lns   1   
        87   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.278   .   .   .   .   .   138   .   H   .   138   .   N   parsed_2lns   1   
        88   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.547   .   .   .   .   .   139   .   H   .   139   .   N   parsed_2lns   1   
        89   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.802   .   .   .   .   .   157   .   H   .   157   .   N   parsed_2lns   1   
        90   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.865   .   .   .   .   .   158   .   H   .   158   .   N   parsed_2lns   1   
        91   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.587   .   .   .   .   .   159   .   H   .   159   .   N   parsed_2lns   1   
        92   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.61    .   .   .   .   .   160   .   H   .   160   .   N   parsed_2lns   1   
        93   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.237   .   .   .   .   .   161   .   H   .   161   .   N   parsed_2lns   1   
        94   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.811   .   .   .   .   .   162   .   H   .   162   .   N   parsed_2lns   1   
        95   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.981   .   .   .   .   .   168   .   H   .   168   .   N   parsed_2lns   1   
    stop_

save_





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