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
31130 1duf cing 2-parsed STAR dipolar coupling 408


data_1duf_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_1duf 
    _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_1duf   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_1duf 
    _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   1duf   "Master copy"    parsed_1duf   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_1duf 
    _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   1duf.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_1duf   1   
        1   1duf.mr   .   .    XPLOR/CNS     2    distance                  NOE                 ambi               162   parsed_1duf   1   
        1   1duf.mr   .   .    XPLOR/CNS     3    distance                 "hydrogen bond"      simple              32   parsed_1duf   1   
        1   1duf.mr   .   .    XPLOR/CNS     4   "dihedral angle"          "Not applicable"    "Not applicable"    156   parsed_1duf   1   
        1   1duf.mr   .   .    XPLOR/CNS     5   "dipolar coupling"        "Not applicable"    "Not applicable"    408   parsed_1duf   1   
        1   1duf.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_1duf   1   
    stop_

save_


save_CNS/XPLOR_dipolar_coupling_5
    _RDC_constraint_list.Sf_category         RDC_constraints 
    _RDC_constraint_list.Entry_ID            parsed_1duf 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.01     1.8100     2.2100   .   .   .    1   .   C1'    .    1   .   H1'    parsed_1duf   1   
          2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.25     5.0500     5.4500   .   .   .    1   .   C2'    .    1   .   H2'    parsed_1duf   1   
          3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.99    -6.1900    -5.7900   .   .   .    1   .   C3'    .    1   .   H3'    parsed_1duf   1   
          4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.41     3.2100     3.6100   .   .   .    1   .   C4'    .    1   .   H4'    parsed_1duf   1   
          5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.71     1.5100     1.9100   .   .   .    1   .   C5'    .    1   .   H5''   parsed_1duf   1   
          6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.83    10.6300    11.0300   .   .   .    2   .   C2'    .    2   .   H2'    parsed_1duf   1   
          7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.03    14.8300    15.2300   .   .   .    2   .   C5'    .    2   .   H5''   parsed_1duf   1   
          8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.48     0.2800     0.6800   .   .   .    3   .   C1'    .    3   .   H1'    parsed_1duf   1   
          9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.61    13.4100    13.8100   .   .   .    4   .   C1'    .    4   .   H1'    parsed_1duf   1   
         10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.98     9.7800    10.1800   .   .   .    4   .   C2'    .    4   .   H2'    parsed_1duf   1   
         11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.65    18.4500    18.8500   .   .   .    4   .   C3'    .    4   .   H3'    parsed_1duf   1   
         12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.77    -4.9700    -4.5700   .   .   .    4   .   C4'    .    4   .   H4'    parsed_1duf   1   
         13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.06    17.8600    18.2600   .   .   .    4   .   C5'    .    4   .   H5''   parsed_1duf   1   
         14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.58    18.3800    18.7800   .   .   .    5   .   C1'    .    5   .   H1'    parsed_1duf   1   
         15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.07    11.8700    12.2700   .   .   .    5   .   C2'    .    5   .   H2'    parsed_1duf   1   
         16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.87    15.6700    16.0700   .   .   .    5   .   C3'    .    5   .   H3'    parsed_1duf   1   
         17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.40    -4.6000    -4.2000   .   .   .    5   .   C4'    .    5   .   H4'    parsed_1duf   1   
         18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.09     8.8900     9.2900   .   .   .    5   .   C5'    .    5   .   H5''   parsed_1duf   1   
         19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    16.15    15.9500    16.3500   .   .   .    6   .   C1'    .    6   .   H1'    parsed_1duf   1   
         20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    16.24    16.0400    16.4400   .   .   .    6   .   C2'    .    6   .   H2'    parsed_1duf   1   
         21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.84    12.6400    13.0400   .   .   .    6   .   C3'    .    6   .   H3'    parsed_1duf   1   
         22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.09     4.8900     5.2900   .   .   .    6   .   C4'    .    6   .   H4'    parsed_1duf   1   
         23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.31    10.1100    10.5100   .   .   .    6   .   C5'    .    6   .   H5''   parsed_1duf   1   
         24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.97     9.7700    10.1700   .   .   .    7   .   C1'    .    7   .   H1'    parsed_1duf   1   
         25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.24     5.0400     5.4400   .   .   .    7   .   C2'    .    7   .   H2'    parsed_1duf   1   
         26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.63     7.4300     7.8300   .   .   .    7   .   C3'    .    7   .   H3'    parsed_1duf   1   
         27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.02     6.8200     7.2200   .   .   .    7   .   C4'    .    7   .   H4'    parsed_1duf   1   
         28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    17.22    17.0200    17.4200   .   .   .    7   .   C5'    .    7   .   H5''   parsed_1duf   1   
         29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.31    10.1100    10.5100   .   .   .    8   .   C1'    .    8   .   H1'    parsed_1duf   1   
         30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.65     8.4500     8.8500   .   .   .    8   .   C2'    .    8   .   H2'    parsed_1duf   1   
         31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.48    15.2800    15.6800   .   .   .    8   .   C3'    .    8   .   H3'    parsed_1duf   1   
         32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.05     6.8500     7.2500   .   .   .    8   .   C4'    .    8   .   H4'    parsed_1duf   1   
         33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.16     7.9600     8.3600   .   .   .    9   .   C1'    .    9   .   H1'    parsed_1duf   1   
         34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.38     3.1800     3.5800   .   .   .    9   .   C2'    .    9   .   H2'    parsed_1duf   1   
         35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    17.76    17.5600    17.9600   .   .   .    9   .   C3'    .    9   .   H3'    parsed_1duf   1   
         36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.63     7.4300     7.8300   .   .   .    9   .   C4'    .    9   .   H4'    parsed_1duf   1   
         37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.59    15.3900    15.7900   .   .   .    9   .   C5'    .    9   .   H5''   parsed_1duf   1   
         38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.35    15.1500    15.5500   .   .   .   10   .   C1'    .   10   .   H1'    parsed_1duf   1   
         39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.15    14.9500    15.3500   .   .   .   10   .   C2'    .   10   .   H2'    parsed_1duf   1   
         40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.92     9.7200    10.1200   .   .   .   10   .   C5'    .   10   .   H5''   parsed_1duf   1   
         41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    14.19    13.9900    14.3900   .   .   .   11   .   C1'    .   11   .   H1'    parsed_1duf   1   
         42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.74    12.5400    12.9400   .   .   .   11   .   C2'    .   11   .   H2'    parsed_1duf   1   
         43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    11.02    10.8200    11.2200   .   .   .   12   .   C1'    .   12   .   H1'    parsed_1duf   1   
         44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    11.72    11.5200    11.9200   .   .   .   12   .   C2'    .   12   .   H2'    parsed_1duf   1   
         45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.39     3.1900     3.5900   .   .   .   12   .   C3'    .   12   .   H3'    parsed_1duf   1   
         46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.79    13.5900    13.9900   .   .   .   12   .   C4'    .   12   .   H4'    parsed_1duf   1   
         47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.71     7.5100     7.9100   .   .   .   12   .   C5'    .   12   .   H5''   parsed_1duf   1   
         48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.01     1.8100     2.2100   .   .   .   13   .   C1'    .   13   .   H1'    parsed_1duf   1   
         49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.25     5.0500     5.4500   .   .   .   13   .   C2'    .   13   .   H2'    parsed_1duf   1   
         50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.99    -6.1900    -5.7900   .   .   .   13   .   C3'    .   13   .   H3'    parsed_1duf   1   
         51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.41     3.2100     3.6100   .   .   .   13   .   C4'    .   13   .   H4'    parsed_1duf   1   
         52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.71     1.5100     1.9100   .   .   .   13   .   C5'    .   13   .   H5''   parsed_1duf   1   
         53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.83    10.6300    11.0300   .   .   .   14   .   C2'    .   14   .   H2'    parsed_1duf   1   
         54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.03    14.8300    15.2300   .   .   .   14   .   C5'    .   14   .   H5''   parsed_1duf   1   
         55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.48     0.2800     0.6800   .   .   .   15   .   C1'    .   15   .   H1'    parsed_1duf   1   
         56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.61    13.4100    13.8100   .   .   .   16   .   C1'    .   16   .   H1'    parsed_1duf   1   
         57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.98     9.7800    10.1800   .   .   .   16   .   C2'    .   16   .   H2'    parsed_1duf   1   
         58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.65    18.4500    18.8500   .   .   .   16   .   C3'    .   16   .   H3'    parsed_1duf   1   
         59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.77    -4.9700    -4.5700   .   .   .   16   .   C4'    .   16   .   H4'    parsed_1duf   1   
         60   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.06    17.8600    18.2600   .   .   .   16   .   C5'    .   16   .   H5''   parsed_1duf   1   
         61   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.58    18.3800    18.7800   .   .   .   17   .   C1'    .   17   .   H1'    parsed_1duf   1   
         62   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.07    11.8700    12.2700   .   .   .   17   .   C2'    .   17   .   H2'    parsed_1duf   1   
         63   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.87    15.6700    16.0700   .   .   .   17   .   C3'    .   17   .   H3'    parsed_1duf   1   
         64   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.40    -4.6000    -4.2000   .   .   .   17   .   C4'    .   17   .   H4'    parsed_1duf   1   
         65   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.09     8.8900     9.2900   .   .   .   17   .   C5'    .   17   .   H5''   parsed_1duf   1   
         66   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    16.15    15.9500    16.3500   .   .   .   18   .   C1'    .   18   .   H1'    parsed_1duf   1   
         67   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    16.24    16.0400    16.4400   .   .   .   18   .   C2'    .   18   .   H2'    parsed_1duf   1   
         68   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.84    12.6400    13.0400   .   .   .   18   .   C3'    .   18   .   H3'    parsed_1duf   1   
         69   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.09     4.8900     5.2900   .   .   .   18   .   C4'    .   18   .   H4'    parsed_1duf   1   
         70   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.31    10.1100    10.5100   .   .   .   18   .   C5'    .   18   .   H5''   parsed_1duf   1   
         71   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.97     9.7700    10.1700   .   .   .   19   .   C1'    .   19   .   H1'    parsed_1duf   1   
         72   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.24     5.0400     5.4400   .   .   .   19   .   C2'    .   19   .   H2'    parsed_1duf   1   
         73   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.63     7.4300     7.8300   .   .   .   19   .   C3'    .   19   .   H3'    parsed_1duf   1   
         74   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.02     6.8200     7.2200   .   .   .   19   .   C4'    .   19   .   H4'    parsed_1duf   1   
         75   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    17.22    17.0200    17.4200   .   .   .   19   .   C5'    .   19   .   H5''   parsed_1duf   1   
         76   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.31    10.1100    10.5100   .   .   .   20   .   C1'    .   20   .   H1'    parsed_1duf   1   
         77   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.65     8.4500     8.8500   .   .   .   20   .   C2'    .   20   .   H2'    parsed_1duf   1   
         78   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.48    15.2800    15.6800   .   .   .   20   .   C3'    .   20   .   H3'    parsed_1duf   1   
         79   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.05     6.8500     7.2500   .   .   .   20   .   C4'    .   20   .   H4'    parsed_1duf   1   
         80   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.16     7.9600     8.3600   .   .   .   21   .   C1'    .   21   .   H1'    parsed_1duf   1   
         81   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.38     3.1800     3.5800   .   .   .   21   .   C2'    .   21   .   H2'    parsed_1duf   1   
         82   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    17.76    17.5600    17.9600   .   .   .   21   .   C3'    .   21   .   H3'    parsed_1duf   1   
         83   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.63     7.4300     7.8300   .   .   .   21   .   C4'    .   21   .   H4'    parsed_1duf   1   
         84   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.59    15.3900    15.7900   .   .   .   21   .   C5'    .   21   .   H5''   parsed_1duf   1   
         85   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.35    15.1500    15.5500   .   .   .   22   .   C1'    .   22   .   H1'    parsed_1duf   1   
         86   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    15.15    14.9500    15.3500   .   .   .   22   .   C2'    .   22   .   H2'    parsed_1duf   1   
         87   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.92     9.7200    10.1200   .   .   .   22   .   C5'    .   22   .   H5''   parsed_1duf   1   
         88   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    14.19    13.9900    14.3900   .   .   .   23   .   C1'    .   23   .   H1'    parsed_1duf   1   
         89   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.74    12.5400    12.9400   .   .   .   23   .   C2'    .   23   .   H2'    parsed_1duf   1   
         90   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    11.02    10.8200    11.2200   .   .   .   24   .   C1'    .   24   .   H1'    parsed_1duf   1   
         91   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    11.72    11.5200    11.9200   .   .   .   24   .   C2'    .   24   .   H2'    parsed_1duf   1   
         92   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     3.39     3.1900     3.5900   .   .   .   24   .   C3'    .   24   .   H3'    parsed_1duf   1   
         93   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.79    13.5900    13.9900   .   .   .   24   .   C4'    .   24   .   H4'    parsed_1duf   1   
         94   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.71     7.5100     7.9100   .   .   .   24   .   C5'    .   24   .   H5''   parsed_1duf   1   
         95   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.24     5.0400     5.4400   .   .   .    1   .   C6     .    1   .   H6     parsed_1duf   1   
         96   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    17.95    17.7500    18.1500   .   .   .    3   .   C6     .    3   .   H6     parsed_1duf   1   
         97   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    24.20    24.0000    24.4000   .   .   .    4   .   C8     .    4   .   H8     parsed_1duf   1   
         98   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    21.36    21.1600    21.5600   .   .   .    5   .   C2     .    5   .   H2     parsed_1duf   1   
         99   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    22.31    22.1100    22.5100   .   .   .    5   .   C8     .    5   .   H8     parsed_1duf   1   
        100   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    22.99    22.7900    23.1900   .   .   .    6   .   C2     .    6   .   H2     parsed_1duf   1   
        101   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    17.73    17.5300    17.9300   .   .   .    6   .   C8     .    6   .   H8     parsed_1duf   1   
        102   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.68    10.4800    10.8800   .   .   .    7   .   C6     .    7   .   H6     parsed_1duf   1   
        103   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    23.52    23.3200    23.7200   .   .   .    8   .   C6     .    8   .   H6     parsed_1duf   1   
        104   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    23.52    23.3200    23.7200   .   .   .    9   .   C6     .    9   .   H6     parsed_1duf   1   
        105   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.86    10.6600    11.0600   .   .   .   11   .   C6     .   11   .   H6     parsed_1duf   1   
        106   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.42     2.2200     2.6200   .   .   .   12   .   C8     .   12   .   H8     parsed_1duf   1   
        107   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.24     5.0400     5.4400   .   .   .   13   .   C6     .   13   .   H6     parsed_1duf   1   
        108   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    17.95    17.7500    18.1500   .   .   .   15   .   C6     .   15   .   H6     parsed_1duf   1   
        109   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    24.20    24.0000    24.4000   .   .   .   16   .   C8     .   16   .   H8     parsed_1duf   1   
        110   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    21.36    21.1600    21.5600   .   .   .   17   .   C2     .   17   .   H2     parsed_1duf   1   
        111   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    22.31    22.1100    22.5100   .   .   .   17   .   C8     .   17   .   H8     parsed_1duf   1   
        112   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    22.99    22.7900    23.1900   .   .   .   18   .   C2     .   18   .   H2     parsed_1duf   1   
        113   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    17.73    17.5300    17.9300   .   .   .   18   .   C8     .   18   .   H8     parsed_1duf   1   
        114   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.68    10.4800    10.8800   .   .   .   19   .   C6     .   19   .   H6     parsed_1duf   1   
        115   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    23.52    23.3200    23.7200   .   .   .   20   .   C6     .   20   .   H6     parsed_1duf   1   
        116   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    23.52    23.3200    23.7200   .   .   .   21   .   C6     .   21   .   H6     parsed_1duf   1   
        117   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    10.86    10.6600    11.0600   .   .   .   23   .   C6     .   23   .   H6     parsed_1duf   1   
        118   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.42     2.2200     2.6200   .   .   .   24   .   C8     .   24   .   H8     parsed_1duf   1   
        119   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.26     7.0600     7.4600   .   .   .    2   .   N1     .    2   .   H1     parsed_1duf   1   
        120   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.94    12.7400    13.1400   .   .   .    4   .   N1     .    4   .   H1     parsed_1duf   1   
        121   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.72     4.5200     4.9200   .   .   .    7   .   N3     .    7   .   H3     parsed_1duf   1   
        122   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.82     9.6200    10.0200   .   .   .    8   .   N3     .    8   .   H3     parsed_1duf   1   
        123   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.11     6.9100     7.3100   .   .   .   10   .   N1     .   10   .   H1     parsed_1duf   1   
        124   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.26     7.0600     7.4600   .   .   .   14   .   N1     .   14   .   H1     parsed_1duf   1   
        125   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    12.94    12.7400    13.1400   .   .   .   16   .   N1     .   16   .   H1     parsed_1duf   1   
        126   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.72     4.5200     4.9200   .   .   .   19   .   N3     .   19   .   H3     parsed_1duf   1   
        127   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.82     9.6200    10.0200   .   .   .   20   .   N3     .   20   .   H3     parsed_1duf   1   
        128   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.11     6.9100     7.3100   .   .   .   22   .   N1     .   22   .   H1     parsed_1duf   1   
        129   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    14.82    14.6200    15.0200   .   .   .    7   .   C5     .    7   .   CM     parsed_1duf   1   
        130   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    11.03    10.8300    11.2300   .   .   .    8   .   C5     .    8   .   CM     parsed_1duf   1   
        131   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    14.82    14.6200    15.0200   .   .   .   19   .   C5     .   19   .   CM     parsed_1duf   1   
        132   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    11.03    10.8300    11.2300   .   .   .   20   .   C5     .   20   .   CM     parsed_1duf   1   
        133   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.50     8.3000     8.7000   .   .   .    2   .   C1'    .    2   .   H1'    parsed_1duf   1   
        134   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.05     5.8500     6.2500   .   .   .    2   .   C3'    .    2   .   H3'    parsed_1duf   1   
        135   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.40     6.2000     6.6000   .   .   .    2   .   C4'    .    2   .   H4'    parsed_1duf   1   
        136   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.43    -8.6300    -8.2300   .   .   .    3   .   C2'    .    3   .   H2'    parsed_1duf   1   
        137   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.01    -0.2100     0.1900   .   .   .    3   .   C3'    .    3   .   H3'    parsed_1duf   1   
        138   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.00    -1.2000    -0.8000   .   .   .    3   .   C4'    .    3   .   H4'    parsed_1duf   1   
        139   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.80    18.6000    19.0000   .   .   .    3   .   C5'    .    3   .   H5''   parsed_1duf   1   
        140   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    14.09    13.8900    14.2900   .   .   .    8   .   C5'    .    8   .   H5''   parsed_1duf   1   
        141   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    22.00    21.8000    22.2000   .   .   .   10   .   C3'    .   10   .   H3'    parsed_1duf   1   
        142   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.86     9.6600    10.0600   .   .   .   10   .   C4'    .   10   .   H4'    parsed_1duf   1   
        143   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.73     7.5300     7.9300   .   .   .   11   .   C3'    .   11   .   H3'    parsed_1duf   1   
        144   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    16.00    15.8000    16.2000   .   .   .   11   .   C4'    .   11   .   H4'    parsed_1duf   1   
        145   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.95    13.7500    14.1500   .   .   .   11   .   C5'    .   11   .   H5''   parsed_1duf   1   
        146   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.50     8.3000     8.7000   .   .   .   14   .   C1'    .   14   .   H1'    parsed_1duf   1   
        147   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.05     5.8500     6.2500   .   .   .   14   .   C3'    .   14   .   H3'    parsed_1duf   1   
        148   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.40     6.2000     6.6000   .   .   .   14   .   C4'    .   14   .   H4'    parsed_1duf   1   
        149   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.43    -8.6300    -8.2300   .   .   .   15   .   C2'    .   15   .   H2'    parsed_1duf   1   
        150   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -0.01    -0.2100     0.1900   .   .   .   15   .   C3'    .   15   .   H3'    parsed_1duf   1   
        151   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.00    -1.2000    -0.8000   .   .   .   15   .   C4'    .   15   .   H4'    parsed_1duf   1   
        152   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    18.80    18.6000    19.0000   .   .   .   15   .   C5'    .   15   .   H5''   parsed_1duf   1   
        153   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    14.09    13.8900    14.2900   .   .   .   20   .   C5'    .   20   .   H5''   parsed_1duf   1   
        154   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    22.00    21.8000    22.2000   .   .   .   22   .   C3'    .   22   .   H3'    parsed_1duf   1   
        155   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     9.86     9.6600    10.0600   .   .   .   22   .   C4'    .   22   .   H4'    parsed_1duf   1   
        156   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.73     7.5300     7.9300   .   .   .   23   .   C3'    .   23   .   H3'    parsed_1duf   1   
        157   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    16.00    15.8000    16.2000   .   .   .   23   .   C4'    .   23   .   H4'    parsed_1duf   1   
        158   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    13.95    13.7500    14.1500   .   .   .   23   .   C5'    .   23   .   H5''   parsed_1duf   1   
        159   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.03     0.8300     1.2300   .   .   .    1   .   C2'    .    1   .   H2''   parsed_1duf   1   
        160   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -17.53   -17.7300   -17.3300   .   .   .    2   .   C2'    .    2   .   H2''   parsed_1duf   1   
        161   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.42    -8.6200    -8.2200   .   .   .    3   .   C2'    .    3   .   H2''   parsed_1duf   1   
        162   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -24.41   -24.6100   -24.2100   .   .   .    4   .   C2'    .    4   .   H2''   parsed_1duf   1   
        163   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -14.19   -14.3900   -13.9900   .   .   .    5   .   C2'    .    5   .   H2''   parsed_1duf   1   
        164   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -16.15   -16.3500   -15.9500   .   .   .    6   .   C2'    .    6   .   H2''   parsed_1duf   1   
        165   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -18.20   -18.4000   -18.0000   .   .   .    9   .   C2'    .    9   .   H2''   parsed_1duf   1   
        166   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -23.86   -24.0600   -23.6600   .   .   .   10   .   C2'    .   10   .   H2''   parsed_1duf   1   
        167   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.17    -1.3700    -0.9700   .   .   .   11   .   C2'    .   11   .   H2''   parsed_1duf   1   
        168   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.84    -5.0400    -4.6400   .   .   .   12   .   C2'    .   12   .   H2''   parsed_1duf   1   
        169   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.03     0.8300     1.2300   .   .   .   13   .   C2'    .   13   .   H2''   parsed_1duf   1   
        170   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -17.53   -17.7300   -17.3300   .   .   .   14   .   C2'    .   14   .   H2''   parsed_1duf   1   
        171   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.42    -8.6200    -8.2200   .   .   .   15   .   C2'    .   15   .   H2''   parsed_1duf   1   
        172   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -24.41   -24.6100   -24.2100   .   .   .   16   .   C2'    .   16   .   H2''   parsed_1duf   1   
        173   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -14.19   -14.3900   -13.9900   .   .   .   17   .   C2'    .   17   .   H2''   parsed_1duf   1   
        174   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -16.15   -16.3500   -15.9500   .   .   .   18   .   C2'    .   18   .   H2''   parsed_1duf   1   
        175   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -18.20   -18.4000   -18.0000   .   .   .   21   .   C2'    .   21   .   H2''   parsed_1duf   1   
        176   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -23.86   -24.0600   -23.6600   .   .   .   22   .   C2'    .   22   .   H2''   parsed_1duf   1   
        177   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.17    -1.3700    -0.9700   .   .   .   23   .   C2'    .   23   .   H2''   parsed_1duf   1   
        178   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.84    -5.0400    -4.6400   .   .   .   24   .   C2'    .   24   .   H2''   parsed_1duf   1   
        179   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.57    -5.7700    -5.3700   .   .   .    1   .   C5'    .    1   .   H5'    parsed_1duf   1   
        180   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -20.71   -20.9100   -20.5100   .   .   .    2   .   C5'    .    2   .   H5'    parsed_1duf   1   
        181   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -22.05   -22.2500   -21.8500   .   .   .    4   .   C5'    .    4   .   H5'    parsed_1duf   1   
        182   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -18.57   -18.7700   -18.3700   .   .   .    5   .   C5'    .    5   .   H5'    parsed_1duf   1   
        183   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -21.86   -22.0600   -21.6600   .   .   .    6   .   C5'    .    6   .   H5'    parsed_1duf   1   
        184   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -20.23   -20.4300   -20.0300   .   .   .    7   .   C5'    .    7   .   H5'    parsed_1duf   1   
        185   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -32.09   -32.2900   -31.8900   .   .   .    9   .   C5'    .    9   .   H5'    parsed_1duf   1   
        186   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -25.94   -26.1400   -25.7400   .   .   .   10   .   C5'    .   10   .   H5'    parsed_1duf   1   
        187   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -28.56   -28.7600   -28.3600   .   .   .   12   .   C5'    .   12   .   H5'    parsed_1duf   1   
        188   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.57    -5.7700    -5.3700   .   .   .   13   .   C5'    .   13   .   H5'    parsed_1duf   1   
        189   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -20.71   -20.9100   -20.5100   .   .   .   14   .   C5'    .   14   .   H5'    parsed_1duf   1   
        190   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -22.05   -22.2500   -21.8500   .   .   .   16   .   C5'    .   16   .   H5'    parsed_1duf   1   
        191   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -18.57   -18.7700   -18.3700   .   .   .   17   .   C5'    .   17   .   H5'    parsed_1duf   1   
        192   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -21.86   -22.0600   -21.6600   .   .   .   18   .   C5'    .   18   .   H5'    parsed_1duf   1   
        193   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -20.23   -20.4300   -20.0300   .   .   .   19   .   C5'    .   19   .   H5'    parsed_1duf   1   
        194   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -32.09   -32.2900   -31.8900   .   .   .   21   .   C5'    .   21   .   H5'    parsed_1duf   1   
        195   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -25.94   -26.1400   -25.7400   .   .   .   22   .   C5'    .   22   .   H5'    parsed_1duf   1   
        196   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -28.56   -28.7600   -28.3600   .   .   .   24   .   C5'    .   24   .   H5'    parsed_1duf   1   
        197   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    14.53    14.3300    14.7300   .   .   .    1   .   C5     .    1   .   H5     parsed_1duf   1   
        198   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.95     6.7500     7.1500   .   .   .    2   .   C8     .    2   .   H8     parsed_1duf   1   
        199   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.26     4.0600     4.4600   .   .   .    3   .   C5     .    3   .   H5     parsed_1duf   1   
        200   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.73     8.5300     8.9300   .   .   .    9   .   C5     .    9   .   H5     parsed_1duf   1   
        201   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    19.93    19.7300    20.1300   .   .   .   10   .   C8     .   10   .   H8     parsed_1duf   1   
        202   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    24.20    24.0000    24.4000   .   .   .   11   .   C5     .   11   .   H5     parsed_1duf   1   
        203   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    14.53    14.3300    14.7300   .   .   .   13   .   C5     .   13   .   H5     parsed_1duf   1   
        204   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.95     6.7500     7.1500   .   .   .   14   .   C8     .   14   .   H8     parsed_1duf   1   
        205   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.26     4.0600     4.4600   .   .   .   15   .   C5     .   15   .   H5     parsed_1duf   1   
        206   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.73     8.5300     8.9300   .   .   .   21   .   C5     .   21   .   H5     parsed_1duf   1   
        207   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    19.93    19.7300    20.1300   .   .   .   22   .   C8     .   22   .   H8     parsed_1duf   1   
        208   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    24.20    24.0000    24.4000   .   .   .   23   .   C5     .   23   .   H5     parsed_1duf   1   
        209   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.50     5.00      10.00     .   .   .    1   .   H2'    .    2   .   H8     parsed_1duf   1   
        210   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.50     5.00      10.00     .   .   .   13   .   H2'    .   14   .   H8     parsed_1duf   1   
        211   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.00     4.00       8.00     .   .   .   12   .   H1'    .   12   .   H8     parsed_1duf   1   
        212   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.00     4.00       8.00     .   .   .   24   .   H1'    .   24   .   H8     parsed_1duf   1   
        213   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.00     4.00       8.00     .   .   .   11   .   H1'    .   12   .   H8     parsed_1duf   1   
        214   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.00     4.00       8.00     .   .   .   23   .   H1'    .   24   .   H8     parsed_1duf   1   
        215   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.00     4.00       8.00     .   .   .    1   .   H1'    .    2   .   H8     parsed_1duf   1   
        216   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.00     4.00       8.00     .   .   .   13   .   H1'    .   14   .   H8     parsed_1duf   1   
        217   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00     0.00      20.00     .   .   .    1   .   H2'    .    1   .   H3'    parsed_1duf   1   
        218   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00     0.00      20.00     .   .   .   13   .   H2'    .   13   .   H3'    parsed_1duf   1   
        219   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00     0.00      20.00     .   .   .    3   .   H2'    .    3   .   H3'    parsed_1duf   1   
        220   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00     0.00      20.00     .   .   .   15   .   H2'    .   15   .   H3'    parsed_1duf   1   
        221   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.00   -11.00      -1.00     .   .   .    5   .   H2'    .    5   .   H3'    parsed_1duf   1   
        222   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.00   -11.00      -1.00     .   .   .   17   .   H2'    .   17   .   H3'    parsed_1duf   1   
        223   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.00   -12.00       0.00     .   .   .    6   .   H2'    .    6   .   H3'    parsed_1duf   1   
        224   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.00   -12.00       0.00     .   .   .   18   .   H2'    .   18   .   H3'    parsed_1duf   1   
        225   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00     0.00      20.00     .   .   .    7   .   H2'    .    7   .   H3'    parsed_1duf   1   
        226   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00     0.00      20.00     .   .   .   19   .   H2'    .   19   .   H3'    parsed_1duf   1   
        227   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00     0.00      20.00     .   .   .    8   .   H2'    .    8   .   H3'    parsed_1duf   1   
        228   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00     0.00      20.00     .   .   .   20   .   H2'    .   20   .   H3'    parsed_1duf   1   
        229   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00     0.00      20.00     .   .   .   11   .   H2'    .   11   .   H3'    parsed_1duf   1   
        230   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00     0.00      20.00     .   .   .   23   .   H2'    .   23   .   H3'    parsed_1duf   1   
        231   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00     0.00      20.00     .   .   .   12   .   H2'    .   12   .   H3'    parsed_1duf   1   
        232   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00     0.00      20.00     .   .   .   24   .   H2'    .   24   .   H3'    parsed_1duf   1   
        233   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.00    -8.00       2.00     .   .   .    1   .   H2''   .    1   .   H3'    parsed_1duf   1   
        234   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.00    -8.00       2.00     .   .   .   13   .   H2''   .   13   .   H3'    parsed_1duf   1   
        235   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.30    -7.30       2.70     .   .   .    3   .   H2''   .    3   .   H3'    parsed_1duf   1   
        236   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.30    -7.30       2.70     .   .   .   15   .   H2''   .   15   .   H3'    parsed_1duf   1   
        237   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.50    -6.50       3.50     .   .   .    5   .   H2''   .    5   .   H3'    parsed_1duf   1   
        238   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.50    -6.50       3.50     .   .   .   17   .   H2''   .   17   .   H3'    parsed_1duf   1   
        239   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.50    -6.50       3.50     .   .   .    6   .   H2''   .    6   .   H3'    parsed_1duf   1   
        240   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.50    -6.50       3.50     .   .   .   18   .   H2''   .   18   .   H3'    parsed_1duf   1   
        241   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.20    -7.20       2.80     .   .   .    7   .   H2''   .    7   .   H3'    parsed_1duf   1   
        242   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -2.20    -7.20       2.80     .   .   .   19   .   H2''   .   19   .   H3'    parsed_1duf   1   
        243   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.60    -6.60       3.40     .   .   .    8   .   H2''   .    8   .   H3'    parsed_1duf   1   
        244   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.60    -6.60       3.40     .   .   .   20   .   H2''   .   20   .   H3'    parsed_1duf   1   
        245   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.00     2.00       8.00     .   .   .   11   .   H2''   .   11   .   H3'    parsed_1duf   1   
        246   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.00     2.00       8.00     .   .   .   23   .   H2''   .   23   .   H3'    parsed_1duf   1   
        247   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.60    -7.60       0.40     .   .   .   12   .   H2''   .   12   .   H3'    parsed_1duf   1   
        248   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -3.60    -7.60       0.40     .   .   .   24   .   H2''   .   24   .   H3'    parsed_1duf   1   
        249   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.00   -12.00      -4.00     .   .   .    1   .   H1'    .    1   .   H2'    parsed_1duf   1   
        250   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -13.00   -16.00     -10.00     .   .   .    1   .   H1'    .    1   .   H2''   parsed_1duf   1   
        251   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -8.00   -12.00      -4.00     .   .   .   13   .   H1'    .   13   .   H2'    parsed_1duf   1   
        252   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -13.00   -16.00     -10.00     .   .   .   13   .   H1'    .   13   .   H2''   parsed_1duf   1   
        253   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.00    -7.00      -1.00     .   .   .    2   .   H1'    .    2   .   H2'    parsed_1duf   1   
        254   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.00   -16.00      -8.00     .   .   .    2   .   H1'    .    2   .   H2''   parsed_1duf   1   
        255   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.00    -7.00      -1.00     .   .   .   14   .   H1'    .   14   .   H2'    parsed_1duf   1   
        256   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.00   -16.00      -8.00     .   .   .   14   .   H1'    .   14   .   H2''   parsed_1duf   1   
        257   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.00   -14.00      -4.00     .   .   .    3   .   H1'    .    3   .   H2'    parsed_1duf   1   
        258   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.0    -15.00      -9.00     .   .   .    3   .   H1'    .    3   .   H2''   parsed_1duf   1   
        259   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.00   -14.00      -4.00     .   .   .   15   .   H1'    .   15   .   H2'    parsed_1duf   1   
        260   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -12.00   -15.00      -9.00     .   .   .   15   .   H1'    .   15   .   H2''   parsed_1duf   1   
        261   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.00    -3.00       7.00     .   .   .    4   .   H1'    .    4   .   H2'    parsed_1duf   1   
        262   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.00   -10.00       0.00     .   .   .    4   .   H1'    .    4   .   H2''   parsed_1duf   1   
        263   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.00    -3.00       7.00     .   .   .   16   .   H1'    .   16   .   H2'    parsed_1duf   1   
        264   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.00   -10.00       0.00     .   .   .   16   .   H1'    .   16   .   H2''   parsed_1duf   1   
        265   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.00     0.00      10.00     .   .   .    5   .   H1'    .    5   .   H2'    parsed_1duf   1   
        266   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.00   -11.00      -1.00     .   .   .    5   .   H1'    .    5   .   H2''   parsed_1duf   1   
        267   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.00     0.00      10.00     .   .   .   17   .   H1'    .   17   .   H2'    parsed_1duf   1   
        268   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.00   -11.00      -1.00     .   .   .   17   .   H1'    .   17   .   H2''   parsed_1duf   1   
        269   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.00    -4.00       6.00     .   .   .    6   .   H1'    .    6   .   H2'    parsed_1duf   1   
        270   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.00   -11.00      -1.00     .   .   .    6   .   H1'    .    6   .   H2''   parsed_1duf   1   
        271   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     1.00    -4.00       6.00     .   .   .   18   .   H1'    .   18   .   H2'    parsed_1duf   1   
        272   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.00   -11.00      -1.00     .   .   .   18   .   H1'    .   18   .   H2''   parsed_1duf   1   
        273   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.50    -4.50       1.50     .   .   .    7   .   H1'    .    7   .   H2'    parsed_1duf   1   
        274   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.00   -14.00      -8.00     .   .   .    7   .   H1'    .    7   .   H2''   parsed_1duf   1   
        275   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.50    -4.50       1.50     .   .   .   19   .   H1'    .   19   .   H2'    parsed_1duf   1   
        276   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -11.00   -14.00      -8.00     .   .   .   19   .   H1'    .   19   .   H2''   parsed_1duf   1   
        277   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.50    -1.50       6.50     .   .   .    8   .   H1'    .    8   .   H2'    parsed_1duf   1   
        278   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.00   -11.00      -1.00     .   .   .    8   .   H1'    .    8   .   H2''   parsed_1duf   1   
        279   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     2.50    -1.50       6.50     .   .   .   20   .   H1'    .   20   .   H2'    parsed_1duf   1   
        280   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.00   -11.00      -1.00     .   .   .   20   .   H1'    .   20   .   H2''   parsed_1duf   1   
        281   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.00    -2.00      12.00     .   .   .   10   .   H1'    .   10   .   H2'    parsed_1duf   1   
        282   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.50   -10.50      -0.50     .   .   .   10   .   H1'    .   10   .   H2''   parsed_1duf   1   
        283   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.00    -2.00      12.00     .   .   .   22   .   H1'    .   22   .   H2'    parsed_1duf   1   
        284   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.50   -10.50      -0.50     .   .   .   22   .   H1'    .   22   .   H2''   parsed_1duf   1   
        285   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.60    -3.40       4.60     .   .   .   11   .   H1'    .   11   .   H2'    parsed_1duf   1   
        286   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -16.00   -20.00     -12.00     .   .   .   11   .   H1'    .   11   .   H2''   parsed_1duf   1   
        287   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.60    -3.40       4.60     .   .   .   23   .   H1'    .   23   .   H2'    parsed_1duf   1   
        288   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -16.00   -20.00     -12.00     .   .   .   23   .   H1'    .   23   .   H2''   parsed_1duf   1   
        289   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.00    -4.00       2.00     .   .   .   12   .   H1'    .   12   .   H2'    parsed_1duf   1   
        290   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -16.00   -20.00     -12.00     .   .   .   12   .   H1'    .   12   .   H2''   parsed_1duf   1   
        291   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -1.00    -4.00       2.00     .   .   .   24   .   H1'    .   24   .   H2'    parsed_1duf   1   
        292   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -16.00   -20.00     -12.00     .   .   .   24   .   H1'    .   24   .   H2''   parsed_1duf   1   
        293   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.00     6.50      27.00     .   .   .    2   .   H1'    .    3   .   H5'    parsed_1duf   1   
        294   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.00     6.50      27.00     .   .   .   14   .   H1'    .   15   .   H5'    parsed_1duf   1   
        295   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.00     7.00      27.00     .   .   .    6   .   H1'    .    7   .   H5'    parsed_1duf   1   
        296   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.00     7.00      27.00     .   .   .   18   .   H1'    .   19   .   H5'    parsed_1duf   1   
        297   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.00     7.00      27.00     .   .   .    7   .   H1'    .    8   .   H5'    parsed_1duf   1   
        298   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.00     7.00      27.00     .   .   .   19   .   H1'    .   20   .   H5'    parsed_1duf   1   
        299   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.00     3.00       7.00     .   .   .    1   .   H1'    .    2   .   H5'    parsed_1duf   1   
        300   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.00     3.00       7.00     .   .   .   13   .   H1'    .   14   .   H5'    parsed_1duf   1   
        301   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.00     3.00       7.00     .   .   .    3   .   H1'    .    4   .   H5'    parsed_1duf   1   
        302   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.00     3.00       7.00     .   .   .   15   .   H1'    .   16   .   H5'    parsed_1duf   1   
        303   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.00     0.00       6.00     .   .   .    4   .   H1'    .    5   .   H5'    parsed_1duf   1   
        304   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.00     0.00       6.00     .   .   .   16   .   H1'    .   17   .   H5'    parsed_1duf   1   
        305   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.00     0.00       6.00     .   .   .    5   .   H1'    .    6   .   H5'    parsed_1duf   1   
        306   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.00     0.00       6.00     .   .   .   17   .   H1'    .   18   .   H5'    parsed_1duf   1   
        307   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.00     0.00       6.00     .   .   .    8   .   H1'    .    9   .   H5'    parsed_1duf   1   
        308   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.00     0.00       6.00     .   .   .   20   .   H1'    .   21   .   H5'    parsed_1duf   1   
        309   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -6.00       6.00     .   .   .   10   .   H1'    .   11   .   H5'    parsed_1duf   1   
        310   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -6.00       6.00     .   .   .   22   .   H1'    .   23   .   H5'    parsed_1duf   1   
        311   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -6.00       6.00     .   .   .   11   .   H1'    .   12   .   H5'    parsed_1duf   1   
        312   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -6.00       6.00     .   .   .   23   .   H1'    .   24   .   H5'    parsed_1duf   1   
        313   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.00     6.00      26.00     .   .   .    3   .   H1'    .    3   .   H4'    parsed_1duf   1   
        314   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.00     6.00      26.00     .   .   .   15   .   H1'    .   15   .   H4'    parsed_1duf   1   
        315   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.00     3.00       7.00     .   .   .   12   .   H1'    .   12   .   H4'    parsed_1duf   1   
        316   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.00     3.00       7.00     .   .   .   24   .   H1'    .   24   .   H4'    parsed_1duf   1   
        317   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.00     0.00       6.00     .   .   .   11   .   H1'    .   11   .   H4'    parsed_1duf   1   
        318   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.00     0.00       6.00     .   .   .   23   .   H1'    .   23   .   H4'    parsed_1duf   1   
        319   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -5.00       5.00     .   .   .    1   .   H1'    .    1   .   H4'    parsed_1duf   1   
        320   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -5.00       5.00     .   .   .   13   .   H1'    .   13   .   H4'    parsed_1duf   1   
        321   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -5.00       5.00     .   .   .    2   .   H1'    .    2   .   H4'    parsed_1duf   1   
        322   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -5.00       5.00     .   .   .   14   .   H1'    .   14   .   H4'    parsed_1duf   1   
        323   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -5.00       5.00     .   .   .    4   .   H1'    .    4   .   H4'    parsed_1duf   1   
        324   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -5.00       5.00     .   .   .   16   .   H1'    .   16   .   H4'    parsed_1duf   1   
        325   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -5.00       5.00     .   .   .    5   .   H1'    .    5   .   H4'    parsed_1duf   1   
        326   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -5.00       5.00     .   .   .   17   .   H1'    .   17   .   H4'    parsed_1duf   1   
        327   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -5.00       5.00     .   .   .    8   .   H1'    .    8   .   H4'    parsed_1duf   1   
        328   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -5.00       5.00     .   .   .   20   .   H1'    .   20   .   H4'    parsed_1duf   1   
        329   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -5.00       5.00     .   .   .   10   .   H1'    .   10   .   H4'    parsed_1duf   1   
        330   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -5.00       5.00     .   .   .   22   .   H1'    .   22   .   H4'    parsed_1duf   1   
        331   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.00   -29.00      -9.00     .   .   .    6   .   H8     .    7   .   H5#    parsed_1duf   1   
        332   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.00   -29.00      -9.00     .   .   .   18   .   H8     .   19   .   H5#    parsed_1duf   1   
        333   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.50     7.50      27.50     .   .   .    7   .   H6     .    7   .   H5#    parsed_1duf   1   
        334   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.50     7.50      27.50     .   .   .   19   .   H6     .   19   .   H5#    parsed_1duf   1   
        335   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.00   -29.00      -9.00     .   .   .    7   .   H6     .    8   .   H5#    parsed_1duf   1   
        336   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -9.00   -29.00      -9.00     .   .   .   19   .   H6     .   20   .   H5#    parsed_1duf   1   
        337   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.00     6.00      26.00     .   .   .    8   .   H6     .    8   .   H5#    parsed_1duf   1   
        338   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.00     6.00      26.00     .   .   .   20   .   H6     .   20   .   H5#    parsed_1duf   1   
        339   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -5.00       5.00     .   .   .   11   .   H2'    .   12   .   H8     parsed_1duf   1   
        340   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -5.00       5.00     .   .   .   23   .   H2'    .   24   .   H8     parsed_1duf   1   
        341   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.50    -8.00      -3.00     .   .   .   11   .   H2''   .   12   .   H8     parsed_1duf   1   
        342   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.50    -8.00      -3.00     .   .   .   23   .   H2''   .   24   .   H8     parsed_1duf   1   
        343   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.00     6.00      26.00     .   .   .    6   .   H2'    .    6   .   H8     parsed_1duf   1   
        344   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     6.00     6.00      26.00     .   .   .   18   .   H2'    .   18   .   H8     parsed_1duf   1   
        345   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.00     2.00       8.00     .   .   .    4   .   H2''   .    5   .   H8     parsed_1duf   1   
        346   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.00     2.00       8.00     .   .   .   16   .   H2''   .   17   .   H8     parsed_1duf   1   
        347   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.00     8.00      28.00     .   .   .    4   .   H2'    .    4   .   H8     parsed_1duf   1   
        348   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     8.00     8.00      28.00     .   .   .   16   .   H2'    .   16   .   H8     parsed_1duf   1   
        349   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -5.00       5.00     .   .   .    4   .   H2''   .    4   .   H8     parsed_1duf   1   
        350   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -5.00       5.00     .   .   .   16   .   H2''   .   16   .   H8     parsed_1duf   1   
        351   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.00   -26.00      -6.00     .   .   .    3   .   H2''   .    4   .   H8     parsed_1duf   1   
        352   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.00   -26.00      -6.00     .   .   .   15   .   H2''   .   16   .   H8     parsed_1duf   1   
        353   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -5.00       5.00     .   .   .    3   .   H2'    .    4   .   H8     parsed_1duf   1   
        354   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -5.00       5.00     .   .   .   15   .   H2'    .   16   .   H8     parsed_1duf   1   
        355   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.00     5.00      25.00     .   .   .    1   .   H2'    .    1   .   H6     parsed_1duf   1   
        356   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.00     5.00      25.00     .   .   .   13   .   H2'    .   13   .   H6     parsed_1duf   1   
        357   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.00     0.00       4.00     .   .   .    1   .   H2''   .    1   .   H6     parsed_1duf   1   
        358   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.00     0.00       4.00     .   .   .   13   .   H2''   .   13   .   H6     parsed_1duf   1   
        359   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.00     0.00       5.00     .   .   .    8   .   H2'    .    8   .   H6     parsed_1duf   1   
        360   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     5.00     0.00       5.00     .   .   .   20   .   H2'    .   20   .   H6     parsed_1duf   1   
        361   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.00    -8.00      -3.00     .   .   .    7   .   H2'    .    8   .   H6     parsed_1duf   1   
        362   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.00    -8.00      -3.00     .   .   .   19   .   H2'    .   20   .   H6     parsed_1duf   1   
        363   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.00    -5.00       0.00     .   .   .   11   .   H2'    .   11   .   H6     parsed_1duf   1   
        364   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.00    -5.00       0.00     .   .   .   23   .   H2'    .   23   .   H6     parsed_1duf   1   
        365   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -5.00       5.00     .   .   .   11   .   H2''   .   11   .   H6     parsed_1duf   1   
        366   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -5.00       5.00     .   .   .   23   .   H2''   .   23   .   H6     parsed_1duf   1   
        367   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -5.00       5.00     .   .   .   10   .   H2'    .   11   .   H6     parsed_1duf   1   
        368   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -5.00       5.00     .   .   .   22   .   H2'    .   23   .   H6     parsed_1duf   1   
        369   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -5.00       5.00     .   .   .   10   .   H2''   .   11   .   H6     parsed_1duf   1   
        370   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -5.00       5.00     .   .   .   22   .   H2''   .   23   .   H6     parsed_1duf   1   
        371   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.00     4.00      10.00     .   .   .    3   .   H2'    .    3   .   H6     parsed_1duf   1   
        372   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     7.00     4.00      10.00     .   .   .   15   .   H2'    .   15   .   H6     parsed_1duf   1   
        373   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -6.00       6.00     .   .   .    3   .   H2''   .    3   .   H6     parsed_1duf   1   
        374   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -6.00       6.00     .   .   .   15   .   H2''   .   15   .   H6     parsed_1duf   1   
        375   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -6.00       6.00     .   .   .    2   .   H2'    .    3   .   H6     parsed_1duf   1   
        376   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -6.00       6.00     .   .   .   14   .   H2'    .   15   .   H6     parsed_1duf   1   
        377   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -6.00       6.00     .   .   .    2   .   H2''   .    3   .   H6     parsed_1duf   1   
        378   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -6.00       6.00     .   .   .   14   .   H2''   .   15   .   H6     parsed_1duf   1   
        379   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.00   -27.00      -7.00     .   .   .    6   .   H2''   .    7   .   H6     parsed_1duf   1   
        380   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.00   -27.00      -7.00     .   .   .   18   .   H2''   .   19   .   H6     parsed_1duf   1   
        381   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -5.00       5.00     .   .   .    7   .   H2''   .    7   .   H6     parsed_1duf   1   
        382   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -5.00       5.00     .   .   .   19   .   H2''   .   19   .   H6     parsed_1duf   1   
        383   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -5.00       5.00     .   .   .    6   .   H2'    .    7   .   H6     parsed_1duf   1   
        384   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -5.00       5.00     .   .   .   18   .   H2'    .   19   .   H6     parsed_1duf   1   
        385   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.00     3.00       7.00     .   .   .    7   .   H2'    .    7   .   H6     parsed_1duf   1   
        386   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     4.00     3.00       7.00     .   .   .   19   .   H2'    .   19   .   H6     parsed_1duf   1   
        387   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.00   -25.00      -5.00     .   .   .    4   .   H1'    .    5   .   H8     parsed_1duf   1   
        388   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -5.00   -25.00      -5.00     .   .   .   16   .   H1'    .   17   .   H8     parsed_1duf   1   
        389   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -5.00       5.00     .   .   .    6   .   H1'    .    6   .   H8     parsed_1duf   1   
        390   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -5.00       5.00     .   .   .   18   .   H1'    .   18   .   H8     parsed_1duf   1   
        391   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -5.00       5.00     .   .   .    2   .   H8     .    3   .   H5     parsed_1duf   1   
        392   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -5.00       5.00     .   .   .   14   .   H8     .   15   .   H5     parsed_1duf   1   
        393   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.00    -8.00      -4.00     .   .   .   10   .   H8     .   11   .   H5     parsed_1duf   1   
        394   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.00    -8.00      -4.00     .   .   .   22   .   H8     .   23   .   H5     parsed_1duf   1   
        395   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -4.00       4.00     .   .   .    4   .   H1'    .    4   .   H8     parsed_1duf   1   
        396   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -4.00       4.00     .   .   .   16   .   H1'    .   16   .   H8     parsed_1duf   1   
        397   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.00    -8.00      -4.00     .   .   .    3   .   H1'    .    4   .   H8     parsed_1duf   1   
        398   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.00    -8.00      -4.00     .   .   .   15   .   H1'    .   16   .   H8     parsed_1duf   1   
        399   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -4.00       4.00     .   .   .    8   .   H1'    .    8   .   H6     parsed_1duf   1   
        400   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -4.00       4.00     .   .   .   20   .   H1'    .   20   .   H6     parsed_1duf   1   
        401   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.50    -6.00      -3.00     .   .   .    7   .   H1'    .    8   .   H6     parsed_1duf   1   
        402   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -4.50    -6.00      -3.00     .   .   .   19   .   H1'    .   20   .   H6     parsed_1duf   1   
        403   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.00    -8.00      -4.00     .   .   .    2   .   H1'    .    3   .   H6     parsed_1duf   1   
        404   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -6.00    -8.00      -4.00     .   .   .   14   .   H1'    .   15   .   H6     parsed_1duf   1   
        405   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.50   -10.00      -5.00     .   .   .    6   .   H1'    .    7   .   H6     parsed_1duf   1   
        406   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -7.50   -10.00      -5.00     .   .   .   18   .   H1'    .   19   .   H6     parsed_1duf   1   
        407   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -5.00       5.00     .   .   .    7   .   H1'    .    7   .   H6     parsed_1duf   1   
        408   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     0.00    -5.00       5.00     .   .   .   19   .   H1'    .   19   .   H6     parsed_1duf   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   
;
dipolar_ribose_nico.tbl
sugars CH dipolar class I
First strand DC correct. version
;
      1   1      4    2   parsed_1duf   1   
         2   "2nd strand"                                         335   1    337    2   parsed_1duf   1   
         3   
;
dipolar_base.tbl
dipolar CH base class I

First strand
Base dipolar coupling
;
    669   1    674    2   parsed_1duf   1   
         4   
;
2nd strand
Base dipolar coupling
;
    763   1    765    2   parsed_1duf   1   
         5   
;
dipolar_imino.tbl
base imino dipolar
First strand
Base dipolar coupling
;
    855   1    859    2   parsed_1duf   1   
         6   "opposite strand"                                    896   1    898    2   parsed_1duf   1   
         7   
;
dipolar_methyl.tbl
base methyl dipolar
First strand
Base dipolar coupling
;
    938   1    942    2   parsed_1duf   1   
         8   "2nd strand"                                         958   1    960    2   parsed_1duf   1   
         9   
;
dipolar_ribose_add.tbl
sugars CH dipolar class II
residual dipolar restraints
from less trusting values
shuld be 1/8 contribution to the force
;
    979   1    984    2   parsed_1duf   1   
        10   
;
assign ( resid 500  and name OO    )
( resid 500  and name Z     )
( resid 500  and name X     )
( resid 500  and name Y     )
( resid 3    and name C4'   )
( resid 3    and name H4'   )   5.03  0.2000  0.2000
The new value is checked by looking at the spectrum of the
overlapping peaks and carefully measuring their distance
with Bax
;
   1022   1   1030   10   parsed_1duf   1   
        11   
;
assign ( resid 500  and name OO    )
( resid 500  and name Z     )
( resid 500  and name X     )
( resid 500  and name Y     )
( resid 11   and name C4'   )
( resid 11   and name H4'   )  12.26  0.2000  0.2000

The new value is checked by looking at the spectrum of the
overlapping peaks and carefully measuring their distance
with Bax
;
   1073   1   1082   10   parsed_1duf   1   
        12   "2nd strand"                                        1098   1   1100    2   parsed_1duf   1   
        13   
;
assign ( resid 500  and name OO    )
( resid 500  and name Z     )
( resid 500  and name X     )
( resid 500  and name Y     )
( resid 15   and name C4'   )
( resid 15   and name H4'   )   5.03  0.2000  0.2000

The new value is checked by looking at the spectrum of the
overlapping peaks and carefully measuring their distance
with Bax
;
   1138   1   1147   10   parsed_1duf   1   
        14   
;
assign ( resid 500  and name OO    )
( resid 500  and name Z     )
( resid 500  and name X     )
( resid 500  and name Y     )
( resid 23   and name C4'   )
( resid 23   and name H4'   )  12.26  0.2000  0.2000

The new value is checked by looking at the spectrum of the
overlapping peaks and carefully measuring their distance
with Bax
;
   1191   1   1200   10   parsed_1duf   1   
        15   
;
dipolar_c2.tbl
sugar C2'-H2'' dipolar class II

C2'-H2" residual dipolar restraints
;
   1217   1   1221    2   parsed_1duf   1   
        16   'C2'-H2" residual dipolar restraints 2nd Strand'    1294   1   1296    2   parsed_1duf   1   
        17   
;
dipolar_c5_nico.tbl
sugars C5'-H5' dipolar class II

C5'-H5" residual dipolar restraints
;
   1371   1   1375    2   parsed_1duf   1   
        18   "2nd Strand"                                        1440   1   1442    2   parsed_1duf   1   
        19   
;
dipolar_base_add.tbl
base Ch dipolar class II
First strand
Base dipolar coupling
;
   1508   1   1512    2   parsed_1duf   1   
        20   
;
2nd strand
Base dipolar coupling
;
   1556   1   1558    2   parsed_1duf   1   
        21   
;
HH_dipolar.tbl
proton-proton dipolar no sign
Bax's HH COSY data

! H1'(i ) to H5'(i+1 )
strong
|D| > 7
medium
3 < D < 7
weak

! H1' to H4'
strong
medium

weak

missing






;
   1603   1   1640    2   parsed_1duf   1   
        22   
;
HH_dipolar_sign.tbl
proton-proton dipolars with sign
Bax's HH COSY data

sign matters
! H2' to H3'
;
   1719   1   1737    2   parsed_1duf   1   
        23   
;
sign matters
! from H2'' to H3'
;
   1851   1   1853    2   parsed_1duf   1   
        24   "!H1' to H2'/H2''"                                  1967   1   1969    2   parsed_1duf   1   
        25   
;
HH_dipolar_sign2.tbl
proton-proton dipolar whose signs were
determined after the structure was
refined
Bax's HH COSY data

! H1'(i ) to H5'(i+1 )
strong
|D| > 7
;
   2283   1   2292   10   parsed_1duf   1   
        26   
;
medium
3 < D < 7
;
   2337   1   2338   12   parsed_1duf   1   
        27    weak                                               2368   1   2369    2   parsed_1duf   1   
        28   
;
! H1' to H4'
strong
;
   2442   1   2443    8   parsed_1duf   1   
        29    medium                                             2459   1   2460    2   parsed_1duf   1   
        30    weak                                               2475   1   2476    2   parsed_1duf   1   
        31    missing                                            2491   1   2492    2   parsed_1duf   1   
    stop_

save_





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