NMR Restraints Grid

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

image mrblock_id pdb_id cing stage program type item_count
52940 2oed cing 2-parsed STAR dipolar coupling 88


data_2oed_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2oed 
    _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_2oed   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2oed 
    _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   2oed   "Master copy"    parsed_2oed   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2oed 
    _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   2oed.mr   .   .   "MR format"     1    comment                  "Not applicable"           "Not applicable"      0   parsed_2oed   1   
        1   2oed.mr   .   .    n/a            2    protocol                 "structure calculation"    "Not applicable"      0   parsed_2oed   1   
        1   2oed.mr   .   .    XPLOR/CNS      3    distance                 "hydrogen bond"             simple              34   parsed_2oed   1   
        1   2oed.mr   .   .    XPLOR/CNS      4   "dipolar coupling"        "Not applicable"           "Not applicable"     43   parsed_2oed   1   
        1   2oed.mr   .   .    XPLOR/CNS      5   "dipolar coupling"        "Not applicable"           "Not applicable"     87   parsed_2oed   1   
        1   2oed.mr   .   .    XPLOR/CNS      6   "dipolar coupling"        "Not applicable"           "Not applicable"     43   parsed_2oed   1   
        1   2oed.mr   .   .    XPLOR/CNS      7   "dipolar coupling"        "Not applicable"           "Not applicable"     46   parsed_2oed   1   
        1   2oed.mr   .   .    XPLOR/CNS      8   "dipolar coupling"        "Not applicable"           "Not applicable"    131   parsed_2oed   1   
        1   2oed.mr   .   .    XPLOR/CNS      9   "dipolar coupling"        "Not applicable"           "Not applicable"     46   parsed_2oed   1   
        1   2oed.mr   .   .    XPLOR/CNS     10   "dipolar coupling"        "Not applicable"           "Not applicable"     88   parsed_2oed   1   
        1   2oed.mr   .   .    XPLOR/CNS     11   "dipolar coupling"        "Not applicable"           "Not applicable"      0   parsed_2oed   1   
        1   2oed.mr   .   .    XPLOR/CNS     12   "dipolar coupling"        "Not applicable"           "Not applicable"      0   parsed_2oed   1   
        1   2oed.mr   .   .    XPLOR/CNS     13   "dipolar coupling"        "Not applicable"           "Not applicable"      0   parsed_2oed   1   
        1   2oed.mr   .   .    XPLOR/CNS     14   "dipolar coupling"        "Not applicable"           "Not applicable"      0   parsed_2oed   1   
        1   2oed.mr   .   .    XPLOR/CNS     15   "dipolar coupling"        "Not applicable"           "Not applicable"      0   parsed_2oed   1   
        1   2oed.mr   .   .    XPLOR/CNS     16   "dipolar coupling"        "Not applicable"           "Not applicable"      0   parsed_2oed   1   
        1   2oed.mr   .   .    XPLOR/CNS     17   "dipolar coupling"        "Not applicable"           "Not applicable"      0   parsed_2oed   1   
        1   2oed.mr   .   .    XPLOR/CNS     18   "dipolar coupling"        "Not applicable"           "Not applicable"      0   parsed_2oed   1   
        1   2oed.mr   .   .    XPLOR/CNS     19   "dipolar coupling"        "Not applicable"           "Not applicable"      0   parsed_2oed   1   
        1   2oed.mr   .   .   "MR format"    20   "nomenclature mapping"    "Not applicable"           "Not applicable"      0   parsed_2oed   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_10
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_2oed 
    _RDC_constraint_list.ID                  1 
    _RDC_constraint_list.Constraint_file_ID  1 
    _RDC_constraint_list.Block_ID            10 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -30.753   -31.753   -29.753   .   .   GB3N    2   .   CA   GB3N    2   .   HA   parsed_2oed   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -30.549   -31.549   -29.549   .   .   GB3N    3   .   CA   GB3N    3   .   HA   parsed_2oed   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -14.304   -15.304   -13.304   .   .   GB3N    4   .   CA   GB3N    4   .   HA   parsed_2oed   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.886   -10.886    -8.886   .   .   GB3N    5   .   CA   GB3N    5   .   HA   parsed_2oed   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.219    -4.219    -2.219   .   .   GB3N    6   .   CA   GB3N    6   .   HA   parsed_2oed   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.028    -8.028    -6.028   .   .   GB3N    7   .   CA   GB3N    7   .   HA   parsed_2oed   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.673   -12.673   -10.673   .   .   GB3N    8   .   CA   GB3N    8   .   HA   parsed_2oed   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -10.696   -11.696    -9.696   .   .   GB3N   12   .   CA   GB3N   12   .   HA   parsed_2oed   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -16.938   -17.938   -15.938   .   .   GB3N   13   .   CA   GB3N   13   .   HA   parsed_2oed   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.533     5.533     7.533   .   .   GB3N   15   .   CA   GB3N   15   .   HA   parsed_2oed   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.711    11.711    13.711   .   .   GB3N   16   .   CA   GB3N   16   .   HA   parsed_2oed   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.616    -2.616    -0.616   .   .   GB3N   17   .   CA   GB3N   17   .   HA   parsed_2oed   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.219    -8.219    -6.219   .   .   GB3N   18   .   CA   GB3N   18   .   HA   parsed_2oed   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -29.553   -30.553   -28.553   .   .   GB3N   19   .   CA   GB3N   19   .   HA   parsed_2oed   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -18.181   -19.181   -17.181   .   .   GB3N   20   .   CA   GB3N   20   .   HA   parsed_2oed   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    27.473    26.473    28.473   .   .   GB3N   21   .   CA   GB3N   21   .   HA   parsed_2oed   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -19.749   -20.749   -18.749   .   .   GB3N   22   .   CA   GB3N   22   .   HA   parsed_2oed   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -20.083   -21.083   -19.083   .   .   GB3N   23   .   CA   GB3N   23   .   HA   parsed_2oed   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -18.974   -19.974   -17.974   .   .   GB3N   27   .   CA   GB3N   27   .   HA   parsed_2oed   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    55.162    54.162    56.162   .   .   GB3N   28   .   CA   GB3N   28   .   HA   parsed_2oed   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -29.428   -30.428   -28.428   .   .   GB3N   29   .   CA   GB3N   29   .   HA   parsed_2oed   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -16.442   -17.442   -15.442   .   .   GB3N   30   .   CA   GB3N   30   .   HA   parsed_2oed   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.185     6.185     8.185   .   .   GB3N   31   .   CA   GB3N   31   .   HA   parsed_2oed   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    30.856    29.856    31.856   .   .   GB3N   32   .   CA   GB3N   32   .   HA   parsed_2oed   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -22.753   -23.753   -21.753   .   .   GB3N   33   .   CA   GB3N   33   .   HA   parsed_2oed   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -22.876   -23.876   -21.876   .   .   GB3N   34   .   CA   GB3N   34   .   HA   parsed_2oed   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    44.819    43.819    45.819   .   .   GB3N   35   .   CA   GB3N   35   .   HA   parsed_2oed   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.526   -10.526    -8.526   .   .   GB3N   36   .   CA   GB3N   36   .   HA   parsed_2oed   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -27.666   -28.666   -26.666   .   .   GB3N   37   .   CA   GB3N   37   .   HA   parsed_2oed   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -18.492   -19.492   -17.492   .   .   GB3N   42   .   CA   GB3N   42   .   HA   parsed_2oed   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.169   -10.169    -8.169   .   .   GB3N   43   .   CA   GB3N   43   .   HA   parsed_2oed   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -14.323   -15.323   -13.323   .   .   GB3N   44   .   CA   GB3N   44   .   HA   parsed_2oed   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -13.291   -14.291   -12.291   .   .   GB3N   45   .   CA   GB3N   45   .   HA   parsed_2oed   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.639    -4.639    -2.639   .   .   GB3N   46   .   CA   GB3N   46   .   HA   parsed_2oed   1   
        35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -22.235   -23.235   -21.235   .   .   GB3N   47   .   CA   GB3N   47   .   HA   parsed_2oed   1   
        36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    14.762    13.762    15.762   .   .   GB3N   48   .   CA   GB3N   48   .   HA   parsed_2oed   1   
        37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    43.515    42.515    44.515   .   .   GB3N   49   .   CA   GB3N   49   .   HA   parsed_2oed   1   
        38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.877    -8.877    -6.877   .   .   GB3N   50   .   CA   GB3N   50   .   HA   parsed_2oed   1   
        39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.700   -10.700    -8.700   .   .   GB3N   51   .   CA   GB3N   51   .   HA   parsed_2oed   1   
        40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.535   -10.535    -8.535   .   .   GB3N   52   .   CA   GB3N   52   .   HA   parsed_2oed   1   
        41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.820    -4.820    -2.820   .   .   GB3N   53   .   CA   GB3N   53   .   HA   parsed_2oed   1   
        42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.270   -10.270    -8.270   .   .   GB3N   54   .   CA   GB3N   54   .   HA   parsed_2oed   1   
        43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.267    -9.267    -7.267   .   .   GB3N   55   .   CA   GB3N   55   .   HA   parsed_2oed   1   
        44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.084     0.959     1.209   .   .   GB3N    2   .   C    GB3N    3   .   N    parsed_2oed   1   
        45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.268     1.143     1.393   .   .   GB3N    3   .   C    GB3N    4   .   N    parsed_2oed   1   
        46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.954    -1.079    -0.829   .   .   GB3N    4   .   C    GB3N    5   .   N    parsed_2oed   1   
        47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.106     0.981     1.231   .   .   GB3N    5   .   C    GB3N    6   .   N    parsed_2oed   1   
        48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.562    -1.687    -1.437   .   .   GB3N    6   .   C    GB3N    7   .   N    parsed_2oed   1   
        49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.758     1.633     1.883   .   .   GB3N    7   .   C    GB3N    8   .   N    parsed_2oed   1   
        50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.514    -1.639    -1.389   .   .   GB3N    8   .   C    GB3N    9   .   N    parsed_2oed   1   
        51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.506     1.381     1.631   .   .   GB3N    9   .   C    GB3N   10   .   N    parsed_2oed   1   
        52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.896     0.771     1.021   .   .   GB3N   12   .   C    GB3N   13   .   N    parsed_2oed   1   
        53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.416    -0.541    -0.291   .   .   GB3N   13   .   C    GB3N   14   .   N    parsed_2oed   1   
        54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.704     2.579     2.829   .   .   GB3N   14   .   C    GB3N   15   .   N    parsed_2oed   1   
        55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.978    -1.103    -0.853   .   .   GB3N   15   .   C    GB3N   16   .   N    parsed_2oed   1   
        56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.720     1.595     1.845   .   .   GB3N   16   .   C    GB3N   17   .   N    parsed_2oed   1   
        57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.286    -1.411    -1.161   .   .   GB3N   17   .   C    GB3N   18   .   N    parsed_2oed   1   
        58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.858     0.733     0.983   .   .   GB3N   18   .   C    GB3N   19   .   N    parsed_2oed   1   
        59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.568    -1.693    -1.443   .   .   GB3N   19   .   C    GB3N   20   .   N    parsed_2oed   1   
        60   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.566    -1.691    -1.441   .   .   GB3N   20   .   C    GB3N   21   .   N    parsed_2oed   1   
        61   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.992     2.867     3.117   .   .   GB3N   21   .   C    GB3N   22   .   N    parsed_2oed   1   
        62   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.618     0.493     0.743   .   .   GB3N   22   .   C    GB3N   23   .   N    parsed_2oed   1   
        63   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.200    -1.325    -1.075   .   .   GB3N   23   .   C    GB3N   24   .   N    parsed_2oed   1   
        64   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.594    -0.719    -0.469   .   .   GB3N   27   .   C    GB3N   28   .   N    parsed_2oed   1   
        65   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.416     2.291     2.541   .   .   GB3N   28   .   C    GB3N   29   .   N    parsed_2oed   1   
        66   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.522    -0.647    -0.397   .   .   GB3N   30   .   C    GB3N   31   .   N    parsed_2oed   1   
        67   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.640     1.515     1.765   .   .   GB3N   31   .   C    GB3N   32   .   N    parsed_2oed   1   
        68   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.370     0.245     0.495   .   .   GB3N   32   .   C    GB3N   33   .   N    parsed_2oed   1   
        69   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.146    -0.271    -0.021   .   .   GB3N   33   .   C    GB3N   34   .   N    parsed_2oed   1   
        70   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.280    -1.405    -1.155   .   .   GB3N   34   .   C    GB3N   35   .   N    parsed_2oed   1   
        71   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.896     2.771     3.021   .   .   GB3N   35   .   C    GB3N   36   .   N    parsed_2oed   1   
        72   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.340    -1.465    -1.215   .   .   GB3N   36   .   C    GB3N   37   .   N    parsed_2oed   1   
        73   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.664     0.539     0.789   .   .   GB3N   37   .   C    GB3N   38   .   N    parsed_2oed   1   
        74   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.212    -0.337    -0.087   .   .   GB3N   38   .   C    GB3N   39   .   N    parsed_2oed   1   
        75   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.660    -0.785    -0.535   .   .   GB3N   42   .   C    GB3N   43   .   N    parsed_2oed   1   
        76   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.136     1.011     1.261   .   .   GB3N   43   .   C    GB3N   44   .   N    parsed_2oed   1   
        77   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.844    -0.969    -0.719   .   .   GB3N   44   .   C    GB3N   45   .   N    parsed_2oed   1   
        78   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.404     1.279     1.529   .   .   GB3N   45   .   C    GB3N   46   .   N    parsed_2oed   1   
        79   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.384    -1.509    -1.259   .   .   GB3N   46   .   C    GB3N   47   .   N    parsed_2oed   1   
        80   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.210    -1.335    -1.085   .   .   GB3N   47   .   C    GB3N   48   .   N    parsed_2oed   1   
        81   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.274    -0.399    -0.149   .   .   GB3N   48   .   C    GB3N   49   .   N    parsed_2oed   1   
        82   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.994    -1.119    -0.869   .   .   GB3N   49   .   C    GB3N   50   .   N    parsed_2oed   1   
        83   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.212     2.087     2.337   .   .   GB3N   50   .   C    GB3N   51   .   N    parsed_2oed   1   
        84   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.346    -1.471    -1.221   .   .   GB3N   51   .   C    GB3N   52   .   N    parsed_2oed   1   
        85   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.714     2.589     2.839   .   .   GB3N   52   .   C    GB3N   53   .   N    parsed_2oed   1   
        86   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.484    -1.609    -1.359   .   .   GB3N   53   .   C    GB3N   54   .   N    parsed_2oed   1   
        87   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.454     2.329     2.579   .   .   GB3N   54   .   C    GB3N   55   .   N    parsed_2oed   1   
        88   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.560    -1.685    -1.435   .   .   GB3N   55   .   C    GB3N   56   .   N    parsed_2oed   1   
    stop_


    loop_
        _RDC_constraint_comment_org.ID 
        _RDC_constraint_comment_org.Comment_text 
        _RDC_constraint_comment_org.Comment_begin_line 
        _RDC_constraint_comment_org.Comment_begin_column 
        _RDC_constraint_comment_org.Comment_end_line 
        _RDC_constraint_comment_org.Comment_end_column 
        _RDC_constraint_comment_org.Entry_ID 
        _RDC_constraint_comment_org.RDC_constraint_list_ID 

        1    rcds_C_CAHA.dat     2   1     2   18   parsed_2oed   1   
        2   
;
assign (               resi 503 and name  OO  )
(               resi 503 and name  Z   )
(               resi 503 and name  X   )
(               resi 503 and name  Y   )
( segi GB3N and resi   9 and name  CA  )
( segi GB3N and resi   9 and name  HA# ) -14.710 1.0 1.0
;
    52   1    57   65   parsed_2oed   1   
        3   
;
assign (               resi 503 and name  OO  )
(               resi 503 and name  Z   )
(               resi 503 and name  X   )
(               resi 503 and name  Y   )
( segi GB3N and resi  14 and name  CA  )
( segi GB3N and resi  14 and name  HA# ) -32.380 1.0 1.0
;
    73   1    78   65   parsed_2oed   1   
        4   
;
assign (               resi 503 and name  OO  )
(               resi 503 and name  Z   )
(               resi 503 and name  X   )
(               resi 503 and name  Y   )
( segi GB3N and resi  38 and name  CA  )
( segi GB3N and resi  38 and name  HA# ) -26.938 1.0 1.0
;
   220   1   225   65   parsed_2oed   1   
        5   
;
assign (               resi 503 and name  OO  )
       (               resi 503 and name  Z   )
       (               resi 503 and name  X   )
       (               resi 503 and name  Y   )
       ( segi GB3N and resi  10 and name  CA  )
       ( segi GB3N and resi  10 and name  HA  ) -22.415 1.0 1.0 1
  
assign (               resi 503 and name  OO  )
       (               resi 503 and name  Z   )
       (               resi 503 and name  X   )
       (               resi 503 and name  Y   )
       ( segi GB3N and resi  11 and name  CA  )
       ( segi GB3N and resi  11 and name  HA  ) -19.399 1.0 1.0 1
  
assign (               resi 503 and name  OO  )
       (               resi 503 and name  Z   )
       (               resi 503 and name  X   )
       (               resi 503 and name  Y   )
       ( segi GB3N and resi  24 and name  CA  )
       ( segi GB3N and resi  24 and name  HA  )  42.271 1.0 1.0 1
  
assign (               resi 503 and name  OO  )
       (               resi 503 and name  Z   )
       (               resi 503 and name  X   )
       (               resi 503 and name  Y   )
       ( segi GB3N and resi  25 and name  CA  )
       ( segi GB3N and resi  25 and name  HA  )   0.500 1.0 1.0 1
  
assign (               resi 503 and name  OO  )
       (               resi 503 and name  Z   )
       (               resi 503 and name  X   )
       (               resi 503 and name  Y   )
       ( segi GB3N and resi  26 and name  CA  )
       ( segi GB3N and resi  26 and name  HA  ) -10.082 1.0 1.0 1
  
assign (               resi 503 and name  OO  )
       (               resi 503 and name  Z   )
       (               resi 503 and name  X   )
       (               resi 503 and name  Y   )
       ( segi GB3N and resi  39 and name  CA  )
       ( segi GB3N and resi  39 and name  HA  )  18.405 1.0 1.0 1
  
assign (               resi 503 and name  OO  )
       (               resi 503 and name  Z   )
       (               resi 503 and name  X   )
       (               resi 503 and name  Y   )
       ( segi GB3N and resi  40 and name  CA  )
       ( segi GB3N and resi  40 and name  HA  )  14.973 1.0 1.0 1
  
!assign (               resi 503 and name  OO  )
!       (               resi 503 and name  Z   )
!       (               resi 503 and name  X   )
!       (               resi 503 and name  Y   )
!       ( segi GB3N and resi  41 and name  CA  )
!       ( segi GB3N and resi  41 and name  HA# )  42.270 1.0 1.0
;
   325   1   325    1   parsed_2oed   1   
        6    rcds_C_CN.dat     384   1   384   16   parsed_2oed   1   
        7   
;
assign (               resi 503 and name  OO  )
       (               resi 503 and name  Z   )
       (               resi 503 and name  X   )
       (               resi 503 and name  Y   )
       ( segi GB3N and resi  10 and name  C   )
       ( segi GB3N and resi  11 and name  N   )  -0.200 0.125 0.125 1
  
assign (               resi 503 and name  OO  )
       (               resi 503 and name  Z   )
       (               resi 503 and name  X   )
       (               resi 503 and name  Y   )
       ( segi GB3N and resi  11 and name  C   )
       ( segi GB3N and resi  12 and name  N   )  -0.772 0.125 0.125 1
  
assign (               resi 503 and name  OO  )
       (               resi 503 and name  Z   )
       (               resi 503 and name  X   )
       (               resi 503 and name  Y   )
       ( segi GB3N and resi  24 and name  C   )
       ( segi GB3N and resi  25 and name  N   )   2.694 0.125 0.125 1
  
assign (               resi 503 and name  OO  )
       (               resi 503 and name  Z   )
       (               resi 503 and name  X   )
       (               resi 503 and name  Y   )
       ( segi GB3N and resi  25 and name  C   )
       ( segi GB3N and resi  26 and name  N   )  -1.338 0.125 0.125 1
  
assign (               resi 503 and name  OO  )
       (               resi 503 and name  Z   )
       (               resi 503 and name  X   )
       (               resi 503 and name  Y   )
       ( segi GB3N and resi  26 and name  C   )
       ( segi GB3N and resi  27 and name  N   )   0.172 0.125 0.125 1
  
assign (               resi 503 and name  OO  )
       (               resi 503 and name  Z   )
       (               resi 503 and name  X   )
       (               resi 503 and name  Y   )
       ( segi GB3N and resi  39 and name  C   )
       ( segi GB3N and resi  40 and name  N   )   1.462 0.125 0.125 1
  
assign (               resi 503 and name  OO  )
       (               resi 503 and name  Z   )
       (               resi 503 and name  X   )
       (               resi 503 and name  Y   )
       ( segi GB3N and resi  40 and name  C   )
       ( segi GB3N and resi  41 and name  N   )  -1.408 0.125 0.125 1
  
assign (               resi 503 and name  OO  )
       (               resi 503 and name  Z   )
       (               resi 503 and name  X   )
       (               resi 503 and name  Y   )
       ( segi GB3N and resi  41 and name  C   )
       ( segi GB3N and resi  42 and name  N   )  -1.544 0.125 0.125 1
;
   700   1   700    1   parsed_2oed   1   
    stop_


    loop_
        _RDC_constraint_parse_err.ID 
        _RDC_constraint_parse_err.Content 
        _RDC_constraint_parse_err.Begin_line 
        _RDC_constraint_parse_err.Begin_column 
        _RDC_constraint_parse_err.End_line 
        _RDC_constraint_parse_err.End_column 
        _RDC_constraint_parse_err.Entry_ID 
        _RDC_constraint_parse_err.RDC_constraint_list_ID 

        1   *   699   2   699   2   parsed_2oed   1   
    stop_

save_





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