Content for NMR-STAR saveframe, "peak_list_1_2_3_4_5_6_7_8_9_10_11_12_13"

    save_peak_list_1_2_3_4_5_6_7_8_9_10_11_12_13
   _Spectral_peak_list.Sf_category                      spectral_peak_list
   _Spectral_peak_list.Sf_framecode                     peak_list_1_2_3_4_5_6_7_8_9_10_11_12_13
   _Spectral_peak_list.Entry_ID                         18226
   _Spectral_peak_list.ID                               13
   _Spectral_peak_list.Sample_ID                        1
   _Spectral_peak_list.Sample_label                     $sample_1
   _Spectral_peak_list.Sample_condition_list_ID         1
   _Spectral_peak_list.Sample_condition_list_label      $sample_conditions_1
   _Spectral_peak_list.Experiment_ID                    13
   _Spectral_peak_list.Experiment_name                  '3D HCCH-TOCSY'
   _Spectral_peak_list.Experiment_class                 .
   _Spectral_peak_list.Experiment_type                  .
   _Spectral_peak_list.Number_of_spectral_dimensions    3
   _Spectral_peak_list.Chemical_shift_list              .
   _Spectral_peak_list.Assigned_chem_shift_list_ID      .
   _Spectral_peak_list.Assigned_chem_shift_list_label   .
   _Spectral_peak_list.Details                          'Default list'
   _Spectral_peak_list.Text_data_format                 .
   _Spectral_peak_list.Text_data                        .

   loop_
      _Spectral_dim.ID
      _Spectral_dim.Axis_code
      _Spectral_dim.Spectrometer_frequency
      _Spectral_dim.Atom_type
      _Spectral_dim.Atom_isotope_number
      _Spectral_dim.Spectral_region
      _Spectral_dim.Magnetization_linkage_ID
      _Spectral_dim.Under_sampling_type
      _Spectral_dim.Sweep_width
      _Spectral_dim.Sweep_width_units
      _Spectral_dim.Value_first_point
      _Spectral_dim.Absolute_peak_positions
      _Spectral_dim.Acquisition
      _Spectral_dim.Center_frequency_offset
      _Spectral_dim.Encoding_code
      _Spectral_dim.Encoded_reduced_dimension_ID
      _Spectral_dim.Entry_ID
      _Spectral_dim.Spectral_peak_list_ID

      1   .   .   H   1    1H    .   .   9803.921875    .   .   .   .   .   .   .   18226   13
      2   .   .   H   1    1H    .   .   5602.241000    .   .   .   .   .   .   .   18226   13
      3   .   .   C   13   13C   .   .   10917.031000   .   .   .   .   .   .   .   18226   13
   stop_

   loop_
      _Peak.ID
      _Peak.Figure_of_merit
      _Peak.Restraint
      _Peak.Details
      _Peak.Entry_ID
      _Peak.Spectral_peak_list_ID

      1    1.0   .   .   18226   13
      2    1.0   .   .   18226   13
      3    1.0   .   .   18226   13
      4    1.0   .   .   18226   13
      5    1.0   .   .   18226   13
      6    1.0   .   .   18226   13
      7    1.0   .   .   18226   13
      8    1.0   .   .   18226   13
      9    1.0   .   .   18226   13
      10   1.0   .   .   18226   13
      11   1.0   .   .   18226   13
      12   1.0   .   .   18226   13
      13   1.0   .   .   18226   13
      14   1.0   .   .   18226   13
      15   1.0   .   .   18226   13
      16   1.0   .   .   18226   13
      17   1.0   .   .   18226   13
      18   1.0   .   .   18226   13
      19   1.0   .   .   18226   13
      20   1.0   .   .   18226   13
      21   1.0   .   .   18226   13
      22   1.0   .   .   18226   13
      23   1.0   .   .   18226   13
      24   1.0   .   .   18226   13
      25   1.0   .   .   18226   13
      26   1.0   .   .   18226   13
      27   1.0   .   .   18226   13
      28   1.0   .   .   18226   13
      29   1.0   .   .   18226   13
      30   1.0   .   .   18226   13
      31   1.0   .   .   18226   13
      32   1.0   .   .   18226   13
      33   1.0   .   .   18226   13
      34   1.0   .   .   18226   13
      35   1.0   .   .   18226   13
      36   1.0   .   .   18226   13
      37   1.0   .   .   18226   13
      38   1.0   .   .   18226   13
      39   1.0   .   .   18226   13
      40   1.0   .   .   18226   13
      41   1.0   .   .   18226   13
      42   1.0   .   .   18226   13
      43   1.0   .   .   18226   13
      44   1.0   .   .   18226   13
      45   1.0   .   .   18226   13
      46   1.0   .   .   18226   13
      47   1.0   .   .   18226   13
      48   1.0   .   .   18226   13
      49   1.0   .   .   18226   13
      50   1.0   .   .   18226   13
      51   1.0   .   .   18226   13
      52   1.0   .   .   18226   13
      53   1.0   .   .   18226   13
      54   1.0   .   .   18226   13
      55   1.0   .   .   18226   13
      56   1.0   .   .   18226   13
      57   1.0   .   .   18226   13
      58   1.0   .   .   18226   13
      59   1.0   .   .   18226   13
      60   1.0   .   .   18226   13
      61   1.0   .   .   18226   13
      62   1.0   .   .   18226   13
      63   1.0   .   .   18226   13
      64   1.0   .   .   18226   13
      65   1.0   .   .   18226   13
      66   1.0   .   .   18226   13
   stop_

   loop_
      _Peak_general_char.Peak_ID
      _Peak_general_char.Intensity_val
      _Peak_general_char.Intensity_val_err
      _Peak_general_char.Measurement_method
      _Peak_general_char.Entry_ID
      _Peak_general_char.Spectral_peak_list_ID

      1    45383180.0000     .   height   18226   13
      1    523973817.0000    .   volume   18226   13
      2    36383908.0000     .   height   18226   13
      2    446675738.0000    .   volume   18226   13
      3    36398376.0000     .   height   18226   13
      3    409865168.2500    .   volume   18226   13
      4    35800624.0000     .   height   18226   13
      4    411023508.5000    .   volume   18226   13
      5    54596552.0000     .   height   18226   13
      5    712828650.0000    .   volume   18226   13
      6    61060920.0000     .   height   18226   13
      6    859957538.0000    .   volume   18226   13
      7    43791856.0000     .   height   18226   13
      7    579782265.5000    .   volume   18226   13
      8    61596464.0000     .   height   18226   13
      8    835127684.0000    .   volume   18226   13
      9    24506992.0000     .   height   18226   13
      9    438965842.0000    .   volume   18226   13
      10   21839672.0000     .   height   18226   13
      10   361562183.5000    .   volume   18226   13
      11   71462816.0000     .   height   18226   13
      11   1114283094.0000   .   volume   18226   13
      12   68012944.0000     .   height   18226   13
      12   1094780061.0000   .   volume   18226   13
      13   31276462.0000     .   height   18226   13
      13   584292265.0000    .   volume   18226   13
      14   34552944.0000     .   height   18226   13
      14   611805304.0000    .   volume   18226   13
      15   9894710.0000      .   height   18226   13
      15   181308859.5310    .   volume   18226   13
      16   12590918.0000     .   height   18226   13
      16   308283181.8750    .   volume   18226   13
      17   30069556.0000     .   height   18226   13
      17   533539126.0000    .   volume   18226   13
      18   32644008.0000     .   height   18226   13
      18   702820381.1250    .   volume   18226   13
      19   26411522.0000     .   height   18226   13
      19   353774398.7500    .   volume   18226   13
      20   57312896.0000     .   height   18226   13
      20   899092815.5000    .   volume   18226   13
      21   4325729.0000      .   height   18226   13
      21   71867091.1875     .   volume   18226   13
      22   34030208.0000     .   height   18226   13
      22   480727449.1250    .   volume   18226   13
      23   50288520.0000     .   height   18226   13
      23   824079432.0000    .   volume   18226   13
      24   46750656.0000     .   height   18226   13
      24   825606503.5000    .   volume   18226   13
      25   54602960.0000     .   height   18226   13
      25   899330257.0000    .   volume   18226   13
      26   36306320.0000     .   height   18226   13
      26   521486475.5000    .   volume   18226   13
      27   7468578.0000      .   height   18226   13
      27   113828183.6250    .   volume   18226   13
      28   9198193.0000      .   height   18226   13
      28   161179502.2500    .   volume   18226   13
      29   12301322.0000     .   height   18226   13
      29   191456695.8120    .   volume   18226   13
      30   15563341.0000     .   height   18226   13
      30   267306462.2500    .   volume   18226   13
      31   2046267.3750      .   height   18226   13
      31   32868080.9375     .   volume   18226   13
      32   18742750.0000     .   height   18226   13
      32   244430148.4380    .   volume   18226   13
      33   2159065.0000      .   height   18226   13
      33   25965011.6797     .   volume   18226   13
      34   8157267.0000      .   height   18226   13
      34   106705463.5000    .   volume   18226   13
      35   3669746.5000      .   height   18226   13
      35   49080156.0938     .   volume   18226   13
      36   16561684.0000     .   height   18226   13
      36   200379076.5000    .   volume   18226   13
      37   4854001.0000      .   height   18226   13
      37   99526243.1250     .   volume   18226   13
      38   5389387.0000      .   height   18226   13
      38   82221698.1250     .   volume   18226   13
      39   1716848.7500      .   height   18226   13
      39   21776561.4375     .   volume   18226   13
      40   1806912.7500      .   height   18226   13
      40   27641522.6328     .   volume   18226   13
      41   6242446.5000      .   height   18226   13
      41   70326348.4375     .   volume   18226   13
      42   6505535.0000      .   height   18226   13
      42   73849542.5000     .   volume   18226   13
      43   5029667.0000      .   height   18226   13
      43   78714008.2812     .   volume   18226   13
      44   5337442.5000      .   height   18226   13
      44   97097094.1250     .   volume   18226   13
      45   16395794.0000     .   height   18226   13
      45   286137609.7500    .   volume   18226   13
      46   1220372.5000      .   height   18226   13
      46   16924908.2188     .   volume   18226   13
      47   1005374.3750      .   height   18226   13
      47   14740933.4062     .   volume   18226   13
      48   1543326.7500      .   height   18226   13
      48   24445687.1562     .   volume   18226   13
      49   3254936.2500      .   height   18226   13
      49   32645575.6562     .   volume   18226   13
      50   2296303.7500      .   height   18226   13
      50   26888180.8281     .   volume   18226   13
      51   55403928.0000     .   height   18226   13
      51   677254683.0000    .   volume   18226   13
      52   1341338.2500      .   height   18226   13
      52   18971263.8438     .   volume   18226   13
      53   1347458.2500      .   height   18226   13
      53   22554556.5938     .   volume   18226   13
      54   9947131.0000      .   height   18226   13
      54   127577226.6250    .   volume   18226   13
      55   1484711.0000      .   height   18226   13
      55   19644517.5156     .   volume   18226   13
      56   889677.2500       .   height   18226   13
      56   31744570.1094     .   volume   18226   13
      57   7523697.0000      .   height   18226   13
      57   95844714.0938     .   volume   18226   13
      58   10288127.0000     .   height   18226   13
      58   178177317.5000    .   volume   18226   13
      59   7457048.0000      .   height   18226   13
      59   97347508.5938     .   volume   18226   13
      60   1696310.0000      .   height   18226   13
      60   27463857.3750     .   volume   18226   13
      61   1052639.8750      .   height   18226   13
      61   20602223.5312     .   volume   18226   13
      62   1063072.5000      .   height   18226   13
      62   14553022.1719     .   volume   18226   13
      63   1788221.5000      .   height   18226   13
      63   17902608.1641     .   volume   18226   13
      64   2149154.0000      .   height   18226   13
      64   41392784.5938     .   volume   18226   13
      65   1060586.2500      .   height   18226   13
      65   16712025.4375     .   volume   18226   13
      66   7312064.0000      .   height   18226   13
      66   97535437.7500     .   volume   18226   13
   stop_

   loop_
      _Peak_char.Peak_ID
      _Peak_char.Spectral_dim_ID
      _Peak_char.Chem_shift_val
      _Peak_char.Chem_shift_val_err
      _Peak_char.Line_width_val
      _Peak_char.Line_width_val_err
      _Peak_char.Phase_val
      _Peak_char.Phase_val_err
      _Peak_char.Decay_rate_val
      _Peak_char.Decay_rate_val_err
      _Peak_char.Coupling_pattern
      _Peak_char.Bounding_box_upper_val
      _Peak_char.Bounding_box_lower_val
      _Peak_char.Bounding_box_range_val
      _Peak_char.Details
      _Peak_char.Derivation_method_ID
      _Peak_char.Entry_ID
      _Peak_char.Spectral_peak_list_ID

      1    1   2.169    .   30.7565820245    .   .   .   .   .   .   .   .   .   .   .   18226   13
      1    2   2.589    .   101.3988023320   .   .   .   .   .   .   .   .   .   .   .   18226   13
      1    3   30.886   .   369.7578855160   .   .   .   .   .   .   .   .   .   .   .   18226   13
      2    1   2.598    .   39.9584876187    .   .   .   .   .   .   .   .   .   .   .   18226   13
      2    2   2.157    .   99.5610339745    .   .   .   .   .   .   .   .   .   .   .   18226   13
      2    3   33.066   .   367.1583329410   .   .   .   .   .   .   .   .   .   .   .   18226   13
      3    1   4.148    .   27.2159491424    .   .   .   .   .   .   .   .   .   .   .   18226   13
      3    2   2.159    .   99.4274752276    .   .   .   .   .   .   .   .   .   .   .   18226   13
      3    3   32.909   .   382.8298283610   .   .   .   .   .   .   .   .   .   .   .   18226   13
      4    1   2.169    .   30.9903257368    .   .   .   .   .   .   .   .   .   .   .   18226   13
      4    2   4.139    .   97.7379570794    .   .   .   .   .   .   .   .   .   .   .   18226   13
      4    3   55.257   .   372.3561366870   .   .   .   .   .   .   .   .   .   .   .   18226   13
      5    1   2.084    .   43.0602666810    .   .   .   .   .   .   .   .   .   .   .   18226   13
      5    2   2.319    .   102.1974836380   .   .   .   .   .   .   .   .   .   .   .   18226   13
      5    3   35.016   .   401.8569915220   .   .   .   .   .   .   .   .   .   .   .   18226   13
      6    1   1.966    .   42.7312724059    .   .   .   .   .   .   .   .   .   .   .   18226   13
      6    2   2.314    .   105.0523018530   .   .   .   .   .   .   .   .   .   .   .   18226   13
      6    3   35.016   .   424.3894837740   .   .   .   .   .   .   .   .   .   .   .   18226   13
      7    1   2.086    .   59.8839703742    .   .   .   .   .   .   .   .   .   .   .   18226   13
      7    2   4.325    .   107.3763909970   .   .   .   .   .   .   .   .   .   .   .   18226   13
      7    3   56.473   .   369.9579762330   .   .   .   .   .   .   .   .   .   .   .   18226   13
      8    1   1.966    .   47.5475615980    .   .   .   .   .   .   .   .   .   .   .   18226   13
      8    2   4.325    .   111.0878216250   .   .   .   .   .   .   .   .   .   .   .   18226   13
      8    3   56.473   .   373.2990031900   .   .   .   .   .   .   .   .   .   .   .   18226   13
      9    1   1.963    .   44.1810677815    .   .   .   .   .   .   .   .   .   .   .   18226   13
      9    2   2.079    .   208.4491430380   .   .   .   .   .   .   .   .   .   .   .   18226   13
      9    3   29.770   .   429.9399677440   .   .   .   .   .   .   .   .   .   .   .   18226   13
      10   1   2.086    .   42.9696909925    .   .   .   .   .   .   .   .   .   .   .   18226   13
      10   2   1.956    .   189.3742828070   .   .   .   .   .   .   .   .   .   .   .   18226   13
      10   3   29.770   .   417.7666436980   .   .   .   .   .   .   .   .   .   .   .   18226   13
      11   1   2.326    .   36.9303378258    .   .   .   .   .   .   .   .   .   .   .   18226   13
      11   2   1.963    .   188.9438897450   .   .   .   .   .   .   .   .   .   .   .   18226   13
      11   3   29.770   .   403.2904869720   .   .   .   .   .   .   .   .   .   .   .   18226   13
      12   1   2.326    .   36.8976137061    .   .   .   .   .   .   .   .   .   .   .   18226   13
      12   2   2.079    .   193.4187755600   .   .   .   .   .   .   .   .   .   .   .   18226   13
      12   3   29.770   .   402.3046741680   .   .   .   .   .   .   .   .   .   .   .   18226   13
      13   1   4.331    .   67.1820334317    .   .   .   .   .   .   .   .   .   .   .   18226   13
      13   2   2.078    .   200.6810324220   .   .   .   .   .   .   .   .   .   .   .   18226   13
      13   3   29.770   .   411.9428650900   .   .   .   .   .   .   .   .   .   .   .   18226   13
      14   1   4.331    .   74.5262608724    .   .   .   .   .   .   .   .   .   .   .   18226   13
      14   2   1.958    .   191.0704788930   .   .   .   .   .   .   .   .   .   .   .   18226   13
      14   3   29.770   .   422.1302480950   .   .   .   .   .   .   .   .   .   .   .   18226   13
      15   1   2.541    .   200.1693498300   .   .   .   .   .   .   .   .   .   .   .   18226   13
      15   2   2.639    .   177.7509989620   .   .   .   .   .   .   .   .   .   .   .   18226   13
      15   3   40.276   .   497.6910100580   .   .   .   .   .   .   .   .   .   .   .   18226   13
      16   1   2.652    .   44.9950802596    .   .   .   .   .   .   .   .   .   .   .   18226   13
      16   2   2.520    .   217.1698614170   .   .   .   .   .   .   .   .   .   .   .   18226   13
      16   3   40.276   .   463.3827723900   .   .   .   .   .   .   .   .   .   .   .   18226   13
      17   1   4.588    .   33.7759664282    .   .   .   .   .   .   .   .   .   .   .   18226   13
      17   2   2.520    .   185.3888898000   .   .   .   .   .   .   .   .   .   .   .   18226   13
      17   3   40.276   .   502.2075293120   .   .   .   .   .   .   .   .   .   .   .   18226   13
      18   1   4.588    .   50.8585412828    .   .   .   .   .   .   .   .   .   .   .   18226   13
      18   2   2.639    .   178.1192872060   .   .   .   .   .   .   .   .   .   .   .   18226   13
      18   3   40.276   .   666.0854058460   .   .   .   .   .   .   .   .   .   .   .   18226   13
      19   1   2.533    .   207.5229270190   .   .   .   .   .   .   .   .   .   .   .   18226   13
      19   2   4.593    .   101.9610846560   .   .   .   .   .   .   .   .   .   .   .   18226   13
      19   3   54.002   .   381.8973730820   .   .   .   .   .   .   .   .   .   .   .   18226   13
      20   1   2.650    .   69.3172822436    .   .   .   .   .   .   .   .   .   .   .   18226   13
      20   2   4.593    .   114.2149327350   .   .   .   .   .   .   .   .   .   .   .   18226   13
      20   3   54.002   .   395.5995203500   .   .   .   .   .   .   .   .   .   .   .   18226   13
      21   1   3.186    .   39.1310348772    .   .   .   .   .   .   .   .   .   .   .   18226   13
      21   2   3.022    .   223.8437919990   .   .   .   .   .   .   .   .   .   .   .   18226   13
      21   3   39.226   .   421.1210100360   .   .   .   .   .   .   .   .   .   .   .   18226   13
      22   1   4.537    .   37.0606499454    .   .   .   .   .   .   .   .   .   .   .   18226   13
      22   2   2.658    .   111.3609492620   .   .   .   .   .   .   .   .   .   .   .   18226   13
      22   3   40.428   .   427.7256304700   .   .   .   .   .   .   .   .   .   .   .   18226   13
      23   1   2.648    .   70.5122969728    .   .   .   .   .   .   .   .   .   .   .   18226   13
      23   2   4.531    .   124.6248353650   .   .   .   .   .   .   .   .   .   .   .   18226   13
      23   3   54.370   .   390.8822596770   .   .   .   .   .   .   .   .   .   .   .   18226   13
      24   1   4.590    .   33.1203153152    .   .   .   .   .   .   .   .   .   .   .   18226   13
      24   2   2.597    .   139.3697210220   .   .   .   .   .   .   .   .   .   .   .   18226   13
      24   3   38.779   .   555.9385566660   .   .   .   .   .   .   .   .   .   .   .   18226   13
      25   1   4.588    .   34.6209499482    .   .   .   .   .   .   .   .   .   .   .   18226   13
      25   2   2.663    .   125.7378805720   .   .   .   .   .   .   .   .   .   .   .   18226   13
      25   3   38.779   .   522.1072832120   .   .   .   .   .   .   .   .   .   .   .   18226   13
      26   1   2.600    .   129.2748818870   .   .   .   .   .   .   .   .   .   .   .   18226   13
      26   2   4.582    .   104.8128977990   .   .   .   .   .   .   .   .   .   .   .   18226   13
      26   3   53.439   .   396.7506113400   .   .   .   .   .   .   .   .   .   .   .   18226   13
      27   1   2.879    .   39.9362819660    .   .   .   .   .   .   .   .   .   .   .   18226   13
      27   2   3.055    .   277.3517666630   .   .   .   .   .   .   .   .   .   .   .   18226   13
      27   3   38.681   .   405.1248145580   .   .   .   .   .   .   .   .   .   .   .   18226   13
      28   1   3.062    .   40.8987217015    .   .   .   .   .   .   .   .   .   .   .   18226   13
      28   2   2.877    .   240.5506556480   .   .   .   .   .   .   .   .   .   .   .   18226   13
      28   3   38.681   .   395.6122090300   .   .   .   .   .   .   .   .   .   .   .   18226   13
      29   1   4.508    .   43.7819503928    .   .   .   .   .   .   .   .   .   .   .   18226   13
      29   2   3.055    .   289.3495158450   .   .   .   .   .   .   .   .   .   .   .   18226   13
      29   3   38.681   .   355.7573916010   .   .   .   .   .   .   .   .   .   .   .   18226   13
      30   1   4.510    .   87.6462954441    .   .   .   .   .   .   .   .   .   .   .   18226   13
      30   2   2.877    .   231.5476274680   .   .   .   .   .   .   .   .   .   .   .   18226   13
      30   3   38.681   .   372.5155585600   .   .   .   .   .   .   .   .   .   .   .   18226   13
      31   1   2.149    .   43.2554426808    .   .   .   .   .   .   .   .   .   .   .   18226   13
      31   2   3.674    .   169.1110836250   .   .   .   .   .   .   .   .   .   .   .   18226   13
      31   3   66.060   .   385.9431097860   .   .   .   .   .   .   .   .   .   .   .   18226   13
      32   1   1.056    .   30.6402945276    .   .   .   .   .   .   .   .   .   .   .   18226   13
      32   2   4.116    .   113.7882125390   .   .   .   .   .   .   .   .   .   .   .   18226   13
      32   3   69.586   .   380.1907456690   .   .   .   .   .   .   .   .   .   .   .   18226   13
      33   1   3.819    .   42.3035214124    .   .   .   .   .   .   .   .   .   .   .   18226   13
      33   2   1.525    .   109.3665832750   .   .   .   .   .   .   .   .   .   .   .   18226   13
      33   3   29.812   .   325.6084380520   .   .   .   .   .   .   .   .   .   .   .   18226   13
      34   1   1.513    .   38.0604886748    .   .   .   .   .   .   .   .   .   .   .   18226   13
      34   2   2.865    .   105.4140791090   .   .   .   .   .   .   .   .   .   .   .   18226   13
      34   3   41.914   .   376.3169568420   .   .   .   .   .   .   .   .   .   .   .   18226   13
      35   1   1.509    .   39.0983107574    .   .   .   .   .   .   .   .   .   .   .   18226   13
      35   2   0.865    .   111.7132104570   .   .   .   .   .   .   .   .   .   .   .   18226   13
      35   3   24.371   .   379.2861078810   .   .   .   .   .   .   .   .   .   .   .   18226   13
      36   1   2.953    .   38.3433185667    .   .   .   .   .   .   .   .   .   .   .   18226   13
      36   2   1.654    .   103.1707930060   .   .   .   .   .   .   .   .   .   .   .   18226   13
      36   3   29.172   .   365.0006066990   .   .   .   .   .   .   .   .   .   .   .   18226   13
      37   1   1.452    .   211.9032841870   .   .   .   .   .   .   .   .   .   .   .   18226   13
      37   2   1.657    .   137.7464814020   .   .   .   .   .   .   .   .   .   .   .   18226   13
      37   3   29.091   .   620.5271895900   .   .   .   .   .   .   .   .   .   .   .   18226   13
      38   1   1.659    .   35.9456924377    .   .   .   .   .   .   .   .   .   .   .   18226   13
      38   2   1.456    .   111.9866719920   .   .   .   .   .   .   .   .   .   .   .   18226   13
      38   3   24.985   .   396.5550755330   .   .   .   .   .   .   .   .   .   .   .   18226   13
      39   1   1.868    .   71.2176186247    .   .   .   .   .   .   .   .   .   .   .   18226   13
      39   2   1.474    .   130.0705263210   .   .   .   .   .   .   .   .   .   .   .   18226   13
      39   3   25.112   .   405.1619045450   .   .   .   .   .   .   .   .   .   .   .   18226   13
      40   1   1.521    .   48.8425017642    .   .   .   .   .   .   .   .   .   .   .   18226   13
      40   2   3.812    .   143.5602936540   .   .   .   .   .   .   .   .   .   .   .   18226   13
      40   3   57.642   .   387.7871978950   .   .   .   .   .   .   .   .   .   .   .   18226   13
      41   1   2.838    .   41.6496233772    .   .   .   .   .   .   .   .   .   .   .   18226   13
      41   2   1.272    .   105.6392925460   .   .   .   .   .   .   .   .   .   .   .   18226   13
      41   3   27.032   .   322.9242942790   .   .   .   .   .   .   .   .   .   .   .   18226   13
      42   1   2.756    .   39.6587113077    .   .   .   .   .   .   .   .   .   .   .   18226   13
      42   2   1.273    .   106.6620186500   .   .   .   .   .   .   .   .   .   .   .   18226   13
      42   3   27.072   .   323.3693741200   .   .   .   .   .   .   .   .   .   .   .   18226   13
      43   1   1.271    .   57.0813832637    .   .   .   .   .   .   .   .   .   .   .   18226   13
      43   2   2.759    .   152.0090530340   .   .   .   .   .   .   .   .   .   .   .   18226   13
      43   3   42.914   .   315.1972137240   .   .   .   .   .   .   .   .   .   .   .   18226   13
      44   1   1.280    .   50.2689227685    .   .   .   .   .   .   .   .   .   .   .   18226   13
      44   2   2.833    .   194.9712290440   .   .   .   .   .   .   .   .   .   .   .   18226   13
      44   3   42.914   .   396.3455496430   .   .   .   .   .   .   .   .   .   .   .   18226   13
      45   1   0.957    .   74.8505802732    .   .   .   .   .   .   .   .   .   .   .   18226   13
      45   2   1.914    .   213.1103433050   .   .   .   .   .   .   .   .   .   .   .   18226   13
      45   3   27.200   .   396.3318849120   .   .   .   .   .   .   .   .   .   .   .   18226   13
      46   1   1.959    .   37.1751843644    .   .   .   .   .   .   .   .   .   .   .   18226   13
      46   2   3.641    .   112.6407759550   .   .   .   .   .   .   .   .   .   .   .   18226   13
      46   3   49.599   .   423.7911637260   .   .   .   .   .   .   .   .   .   .   .   18226   13
      47   1   2.167    .   51.6485950304    .   .   .   .   .   .   .   .   .   .   .   18226   13
      47   2   3.646    .   124.6465386610   .   .   .   .   .   .   .   .   .   .   .   18226   13
      47   3   49.592   .   370.5722384690   .   .   .   .   .   .   .   .   .   .   .   18226   13
      48   1   4.107    .   43.9502458656    .   .   .   .   .   .   .   .   .   .   .   18226   13
      48   2   1.902    .   145.8768701190   .   .   .   .   .   .   .   .   .   .   .   18226   13
      48   3   42.053   .   420.9746021940   .   .   .   .   .   .   .   .   .   .   .   18226   13
      49   1   1.269    .   36.9589714305    .   .   .   .   .   .   .   .   .   .   .   18226   13
      49   2   0.945    .   94.0791152083    .   .   .   .   .   .   .   .   .   .   .   18226   13
      49   3   12.077   .   328.8420992580   .   .   .   .   .   .   .   .   .   .   .   18226   13
      50   1   2.181    .   104.4232503950   .   .   .   .   .   .   .   .   .   .   .   18226   13
      50   2   0.889    .   100.9567228800   .   .   .   .   .   .   .   .   .   .   .   18226   13
      50   3   17.796   .   334.3571199950   .   .   .   .   .   .   .   .   .   .   .   18226   13
      51   1   4.303    .   30.0103552230    .   .   .   .   .   .   .   .   .   .   .   18226   13
      51   2   1.363    .   106.1448124030   .   .   .   .   .   .   .   .   .   .   .   18226   13
      51   3   19.408   .   383.9984882920   .   .   .   .   .   .   .   .   .   .   .   18226   13
      52   1   1.699    .   247.0115897760   .   .   .   .   .   .   .   .   .   .   .   18226   13
      52   2   4.206    .   109.4533964600   .   .   .   .   .   .   .   .   .   .   .   18226   13
      52   3   57.365   .   404.7617231100   .   .   .   .   .   .   .   .   .   .   .   18226   13
      53   1   2.178    .   99.0787004130    .   .   .   .   .   .   .   .   .   .   .   18226   13
      53   2   3.917    .   169.2147586030   .   .   .   .   .   .   .   .   .   .   .   18226   13
      53   3   66.021   .   385.4654948700   .   .   .   .   .   .   .   .   .   .   .   18226   13
      54   1   1.576    .   32.7948271958    .   .   .   .   .   .   .   .   .   .   .   18226   13
      54   2   4.194    .   109.7261902010   .   .   .   .   .   .   .   .   .   .   .   18226   13
      54   3   55.464   .   380.7420525330   .   .   .   .   .   .   .   .   .   .   .   18226   13
      55   1   2.182    .   62.0776551142    .   .   .   .   .   .   .   .   .   .   .   18226   13
      55   2   3.522    .   209.2740352490   .   .   .   .   .   .   .   .   .   .   .   18226   13
      55   3   67.113   .   325.7637930400   .   .   .   .   .   .   .   .   .   .   .   18226   13
      56   1   1.575    .   74.4917836748    .   .   .   .   .   .   .   .   .   .   .   18226   13
      56   2   4.097    .   242.8512050630   .   .   .   .   .   .   .   .   .   .   .   18226   13
      56   3   57.350   .   864.0867208180   .   .   .   .   .   .   .   .   .   .   .   18226   13
      57   1   4.311    .   103.9475819400   .   .   .   .   .   .   .   .   .   .   .   18226   13
      57   2   1.269    .   87.3000071128    .   .   .   .   .   .   .   .   .   .   .   18226   13
      57   3   21.884   .   899.3762163790   .   .   .   .   .   .   .   .   .   .   .   18226   13
      58   1   1.286    .   31.4315169938    .   .   .   .   .   .   .   .   .   .   .   18226   13
      58   2   4.300    .   171.4537040460   .   .   .   .   .   .   .   .   .   .   .   18226   13
      58   3   70.217   .   536.9189579100   .   .   .   .   .   .   .   .   .   .   .   18226   13
      59   1   4.395    .   104.3122221320   .   .   .   .   .   .   .   .   .   .   .   18226   13
      59   2   1.275    .   99.5640390463    .   .   .   .   .   .   .   .   .   .   .   18226   13
      59   3   21.876   .   386.5127989670   .   .   .   .   .   .   .   .   .   .   .   18226   13
      60   1   4.038    .   158.1206090640   .   .   .   .   .   .   .   .   .   .   .   18226   13
      60   2   1.561    .   118.9257166860   .   .   .   .   .   .   .   .   .   .   .   18226   13
      60   3   41.864   .   441.2947092760   .   .   .   .   .   .   .   .   .   .   .   18226   13
      61   1   1.888    .   115.9795395310   .   .   .   .   .   .   .   .   .   .   .   18226   13
      61   2   4.038    .   270.2694802130   .   .   .   .   .   .   .   .   .   .   .   18226   13
      61   3   57.824   .   438.6860468810   .   .   .   .   .   .   .   .   .   .   .   18226   13
      62   1   1.553    .   53.6564535191    .   .   .   .   .   .   .   .   .   .   .   18226   13
      62   2   1.885    .   105.4062325320   .   .   .   .   .   .   .   .   .   .   .   18226   13
      62   3   32.832   .   463.0001598960   .   .   .   .   .   .   .   .   .   .   .   18226   13
      63   1   4.170    .   43.9099250752    .   .   .   .   .   .   .   .   .   .   .   18226   13
      63   2   1.869    .   91.2229614060    .   .   .   .   .   .   .   .   .   .   .   18226   13
      63   3   32.964   .   383.0484640720   .   .   .   .   .   .   .   .   .   .   .   18226   13
      64   1   1.818    .   168.8582108480   .   .   .   .   .   .   .   .   .   .   .   18226   13
      64   2   4.207    .   168.2940379910   .   .   .   .   .   .   .   .   .   .   .   18226   13
      64   3   57.364   .   399.0837016420   .   .   .   .   .   .   .   .   .   .   .   18226   13
      65   1   1.651    .   46.7937381258    .   .   .   .   .   .   .   .   .   .   .   18226   13
      65   2   1.984    .   121.4760209580   .   .   .   .   .   .   .   .   .   .   .   18226   13
      65   3   42.364   .   462.9279320270   .   .   .   .   .   .   .   .   .   .   .   18226   13
      66   1   4.198    .   44.7566616731    .   .   .   .   .   .   .   .   .   .   .   18226   13
      66   2   1.565    .   104.7859692120   .   .   .   .   .   .   .   .   .   .   .   18226   13
      66   3   18.413   .   385.5965175650   .   .   .   .   .   .   .   .   .   .   .   18226   13
   stop_

   loop_
      _Assigned_peak_chem_shift.Peak_ID
      _Assigned_peak_chem_shift.Spectral_dim_ID
      _Assigned_peak_chem_shift.Set_ID
      _Assigned_peak_chem_shift.Magnetization_linkage_ID
      _Assigned_peak_chem_shift.Assembly_atom_ID
      _Assigned_peak_chem_shift.Val
      _Assigned_peak_chem_shift.Contribution_fractional_val
      _Assigned_peak_chem_shift.Figure_of_merit
      _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID
      _Assigned_peak_chem_shift.Atom_chem_shift_ID
      _Assigned_peak_chem_shift.Entity_assembly_ID
      _Assigned_peak_chem_shift.Entity_ID
      _Assigned_peak_chem_shift.Comp_index_ID
      _Assigned_peak_chem_shift.Comp_ID
      _Assigned_peak_chem_shift.Atom_ID
      _Assigned_peak_chem_shift.Ambiguity_code
      _Assigned_peak_chem_shift.Ambiguity_set_ID
      _Assigned_peak_chem_shift.Auth_atom_peak_num
      _Assigned_peak_chem_shift.Auth_entity_ID
      _Assigned_peak_chem_shift.Auth_seq_ID
      _Assigned_peak_chem_shift.Auth_comp_ID
      _Assigned_peak_chem_shift.Auth_atom_ID
      _Assigned_peak_chem_shift.Auth_ambiguity_code
      _Assigned_peak_chem_shift.Auth_ambiguity_set_ID
      _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID
      _Assigned_peak_chem_shift.Resonance_ID
      _Assigned_peak_chem_shift.Details
      _Assigned_peak_chem_shift.Entry_ID
      _Assigned_peak_chem_shift.Spectral_peak_list_ID

      1    1   1   .   .   2.169    .   .   1   .   1   1   1    MET   HB3    .   .   .   .   .   .   .   .   .   .   328   .   18226   13
      1    2   1   .   .   2.589    .   .   1   .   1   1   1    MET   HG3    .   .   .   .   .   .   .   .   .   .   326   .   18226   13
      1    3   1   .   .   30.886   .   .   1   .   1   1   1    MET   CG     .   .   .   .   .   .   .   .   .   .   329   .   18226   13
      2    1   1   .   .   2.598    .   .   1   .   1   1   1    MET   HG3    .   .   .   .   .   .   .   .   .   .   326   .   18226   13
      2    2   1   .   .   2.157    .   .   1   .   1   1   1    MET   HB3    .   .   .   .   .   .   .   .   .   .   328   .   18226   13
      2    3   1   .   .   33.066   .   .   1   .   1   1   1    MET   CB     .   .   .   .   .   .   .   .   .   .   327   .   18226   13
      3    1   1   .   .   4.148    .   .   1   .   1   1   1    MET   HA     .   .   .   .   .   .   .   .   .   .   325   .   18226   13
      3    2   1   .   .   2.159    .   .   1   .   1   1   1    MET   HB3    .   .   .   .   .   .   .   .   .   .   328   .   18226   13
      3    3   1   .   .   32.909   .   .   1   .   1   1   1    MET   CB     .   .   .   .   .   .   .   .   .   .   327   .   18226   13
      4    1   1   .   .   2.169    .   .   1   .   1   1   1    MET   HB3    .   .   .   .   .   .   .   .   .   .   328   .   18226   13
      4    2   1   .   .   4.139    .   .   1   .   1   1   1    MET   HA     .   .   .   .   .   .   .   .   .   .   325   .   18226   13
      4    3   1   .   .   55.257   .   .   1   .   1   1   1    MET   CA     .   .   .   .   .   .   .   .   .   .   106   .   18226   13
      5    1   1   .   .   2.084    .   .   1   .   1   1   3    GLU   HB3    .   .   .   .   .   .   .   .   .   .   424   .   18226   13
      5    2   1   .   .   2.319    .   .   1   .   1   1   3    GLU   HG3    .   .   .   .   .   .   .   .   .   .   234   .   18226   13
      5    3   1   .   .   35.016   .   .   1   .   1   1   3    GLU   CG     .   .   .   .   .   .   .   .   .   .   426   .   18226   13
      6    1   1   .   .   1.966    .   .   1   .   1   1   3    GLU   HB2    .   .   .   .   .   .   .   .   .   .   425   .   18226   13
      6    2   1   .   .   2.314    .   .   1   .   1   1   3    GLU   HG3    .   .   .   .   .   .   .   .   .   .   234   .   18226   13
      6    3   1   .   .   35.016   .   .   1   .   1   1   3    GLU   CG     .   .   .   .   .   .   .   .   .   .   426   .   18226   13
      7    1   1   .   .   2.086    .   .   1   .   1   1   3    GLU   HB3    .   .   .   .   .   .   .   .   .   .   424   .   18226   13
      7    2   1   .   .   4.325    .   .   1   .   1   1   3    GLU   HA     .   .   .   .   .   .   .   .   .   .   233   .   18226   13
      7    3   1   .   .   56.473   .   .   1   .   1   1   3    GLU   CA     .   .   .   .   .   .   .   .   .   .   140   .   18226   13
      8    1   1   .   .   1.966    .   .   1   .   1   1   3    GLU   HB2    .   .   .   .   .   .   .   .   .   .   425   .   18226   13
      8    2   1   .   .   4.325    .   .   1   .   1   1   3    GLU   HA     .   .   .   .   .   .   .   .   .   .   233   .   18226   13
      8    3   2   .   .   56.473   .   .   1   .   1   1   3    GLU   CA     .   .   .   .   .   .   .   .   .   .   140   .   18226   13
      9    1   1   .   .   1.963    .   .   1   .   1   1   3    GLU   HB2    .   .   .   .   .   .   .   .   .   .   425   .   18226   13
      9    2   1   .   .   2.079    .   .   1   .   1   1   3    GLU   HB3    .   .   .   .   .   .   .   .   .   .   424   .   18226   13
      9    3   1   .   .   29.770   .   .   1   .   1   1   3    GLU   CB     .   .   .   .   .   .   .   .   .   .   108   .   18226   13
      10   1   1   .   .   2.086    .   .   1   .   1   1   3    GLU   HB3    .   .   .   .   .   .   .   .   .   .   424   .   18226   13
      10   2   1   .   .   1.956    .   .   1   .   1   1   3    GLU   HB2    .   .   .   .   .   .   .   .   .   .   425   .   18226   13
      10   3   1   .   .   29.770   .   .   1   .   1   1   3    GLU   CB     .   .   .   .   .   .   .   .   .   .   108   .   18226   13
      11   1   1   .   .   2.326    .   .   1   .   1   1   3    GLU   HG3    .   .   .   .   .   .   .   .   .   .   234   .   18226   13
      11   2   1   .   .   1.963    .   .   1   .   1   1   3    GLU   HB2    .   .   .   .   .   .   .   .   .   .   425   .   18226   13
      11   3   1   .   .   29.770   .   .   1   .   1   1   3    GLU   CB     .   .   .   .   .   .   .   .   .   .   108   .   18226   13
      12   1   1   .   .   2.326    .   .   1   .   1   1   3    GLU   HG3    .   .   .   .   .   .   .   .   .   .   234   .   18226   13
      12   2   1   .   .   2.079    .   .   1   .   1   1   3    GLU   HB3    .   .   .   .   .   .   .   .   .   .   424   .   18226   13
      12   3   1   .   .   29.770   .   .   1   .   1   1   3    GLU   CB     .   .   .   .   .   .   .   .   .   .   108   .   18226   13
      13   1   1   .   .   4.331    .   .   1   .   1   1   3    GLU   HA     .   .   .   .   .   .   .   .   .   .   233   .   18226   13
      13   2   2   .   .   2.078    .   .   1   .   1   1   3    GLU   HB3    .   .   .   .   .   .   .   .   .   .   424   .   18226   13
      13   3   1   .   .   29.770   .   .   1   .   1   1   3    GLU   CB     .   .   .   .   .   .   .   .   .   .   108   .   18226   13
      14   1   1   .   .   4.331    .   .   1   .   1   1   3    GLU   HA     .   .   .   .   .   .   .   .   .   .   233   .   18226   13
      14   2   1   .   .   1.958    .   .   1   .   1   1   3    GLU   HB2    .   .   .   .   .   .   .   .   .   .   425   .   18226   13
      14   3   1   .   .   29.770   .   .   1   .   1   1   3    GLU   CB     .   .   .   .   .   .   .   .   .   .   108   .   18226   13
      15   1   1   .   .   2.541    .   .   1   .   1   1   6    ASP   HB3    .   .   .   .   .   .   .   .   .   .   206   .   18226   13
      15   2   1   .   .   2.639    .   .   1   .   1   1   6    ASP   HB2    .   .   .   .   .   .   .   .   .   .   250   .   18226   13
      15   3   1   .   .   40.276   .   .   1   .   1   1   6    ASP   CB     .   .   .   .   .   .   .   .   .   .   154   .   18226   13
      16   1   1   .   .   2.652    .   .   1   .   1   1   6    ASP   HB2    .   .   .   .   .   .   .   .   .   .   250   .   18226   13
      16   2   1   .   .   2.520    .   .   1   .   1   1   6    ASP   HB3    .   .   .   .   .   .   .   .   .   .   206   .   18226   13
      16   3   1   .   .   40.276   .   .   1   .   1   1   6    ASP   CB     .   .   .   .   .   .   .   .   .   .   154   .   18226   13
      17   1   1   .   .   4.588    .   .   1   .   1   1   6    ASP   HA     .   .   .   .   .   .   .   .   .   .   255   .   18226   13
      17   2   1   .   .   2.520    .   .   1   .   1   1   6    ASP   HB3    .   .   .   .   .   .   .   .   .   .   206   .   18226   13
      17   3   1   .   .   40.276   .   .   1   .   1   1   6    ASP   CB     .   .   .   .   .   .   .   .   .   .   154   .   18226   13
      18   1   1   .   .   4.588    .   .   1   .   1   1   6    ASP   HA     .   .   .   .   .   .   .   .   .   .   255   .   18226   13
      18   2   1   .   .   2.639    .   .   1   .   1   1   6    ASP   HB2    .   .   .   .   .   .   .   .   .   .   250   .   18226   13
      18   3   1   .   .   40.276   .   .   1   .   1   1   6    ASP   CB     .   .   .   .   .   .   .   .   .   .   154   .   18226   13
      19   1   1   .   .   2.533    .   .   1   .   1   1   6    ASP   HB3    .   .   .   .   .   .   .   .   .   .   206   .   18226   13
      19   2   1   .   .   4.593    .   .   1   .   1   1   6    ASP   HA     .   .   .   .   .   .   .   .   .   .   255   .   18226   13
      19   3   1   .   .   54.002   .   .   1   .   1   1   6    ASP   CA     .   .   .   .   .   .   .   .   .   .   107   .   18226   13
      20   1   2   .   .   2.650    .   .   1   .   1   1   6    ASP   HB2    .   .   .   .   .   .   .   .   .   .   250   .   18226   13
      20   2   1   .   .   4.593    .   .   1   .   1   1   6    ASP   HA     .   .   .   .   .   .   .   .   .   .   255   .   18226   13
      20   3   1   .   .   54.002   .   .   1   .   1   1   6    ASP   CA     .   .   .   .   .   .   .   .   .   .   107   .   18226   13
      21   1   1   .   .   3.186    .   .   1   .   1   1   7    PHE   HB3    .   .   .   .   .   .   .   .   .   .   198   .   18226   13
      21   2   1   .   .   3.022    .   .   1   .   1   1   7    PHE   HB2    .   .   .   .   .   .   .   .   .   .   199   .   18226   13
      21   3   1   .   .   39.226   .   .   1   .   1   1   7    PHE   CB     .   .   .   .   .   .   .   .   .   .   299   .   18226   13
      22   1   1   .   .   4.537    .   .   1   .   1   1   8    ASP   HA     .   .   .   .   .   .   .   .   .   .   195   .   18226   13
      22   2   1   .   .   2.658    .   .   1   .   1   1   8    ASP   HB2    .   .   .   .   .   .   .   .   .   .   194   .   18226   13
      22   3   1   .   .   40.428   .   .   1   .   1   1   8    ASP   CB     .   .   .   .   .   .   .   .   .   .   430   .   18226   13
      23   1   1   .   .   2.648    .   .   1   .   1   1   8    ASP   HB2    .   .   .   .   .   .   .   .   .   .   194   .   18226   13
      23   2   1   .   .   4.531    .   .   1   .   1   1   8    ASP   HA     .   .   .   .   .   .   .   .   .   .   195   .   18226   13
      23   3   1   .   .   54.370   .   .   1   .   1   1   8    ASP   CA     .   .   .   .   .   .   .   .   .   .   300   .   18226   13
      24   1   1   .   .   4.590    .   .   1   .   1   1   9    ASN   HA     .   .   .   .   .   .   .   .   .   .   231   .   18226   13
      24   2   1   .   .   2.597    .   .   1   .   1   1   9    ASN   HB3    .   .   .   .   .   .   .   .   .   .   232   .   18226   13
      24   3   1   .   .   38.779   .   .   1   .   1   1   9    ASN   CB     .   .   .   .   .   .   .   .   .   .   142   .   18226   13
      25   1   1   .   .   4.588    .   .   1   .   1   1   9    ASN   HA     .   .   .   .   .   .   .   .   .   .   231   .   18226   13
      25   2   1   .   .   2.663    .   .   1   .   1   1   9    ASN   HB2    .   .   .   .   .   .   .   .   .   .   432   .   18226   13
      25   3   1   .   .   38.779   .   .   1   .   1   1   9    ASN   CB     .   .   .   .   .   .   .   .   .   .   142   .   18226   13
      26   1   1   .   .   2.600    .   .   1   .   1   1   9    ASN   HB3    .   .   .   .   .   .   .   .   .   .   232   .   18226   13
      26   2   1   .   .   4.582    .   .   1   .   1   1   9    ASN   HA     .   .   .   .   .   .   .   .   .   .   231   .   18226   13
      26   3   1   .   .   53.439   .   .   1   .   1   1   9    ASN   CA     .   .   .   .   .   .   .   .   .   .   141   .   18226   13
      27   1   1   .   .   2.879    .   .   1   .   1   1   11   TYR   HB3    .   .   .   .   .   .   .   .   .   .   436   .   18226   13
      27   2   1   .   .   3.055    .   .   1   .   1   1   11   TYR   HB2    .   .   .   .   .   .   .   .   .   .   435   .   18226   13
      27   3   1   .   .   38.681   .   .   1   .   1   1   11   TYR   CB     .   .   .   .   .   .   .   .   .   .   433   .   18226   13
      28   1   1   .   .   3.062    .   .   1   .   1   1   11   TYR   HB2    .   .   .   .   .   .   .   .   .   .   435   .   18226   13
      28   2   1   .   .   2.877    .   .   1   .   1   1   11   TYR   HB3    .   .   .   .   .   .   .   .   .   .   436   .   18226   13
      28   3   1   .   .   38.681   .   .   1   .   1   1   11   TYR   CB     .   .   .   .   .   .   .   .   .   .   433   .   18226   13
      29   1   1   .   .   4.508    .   .   1   .   1   1   11   TYR   HA     .   .   .   .   .   .   .   .   .   .   434   .   18226   13
      29   2   1   .   .   3.055    .   .   1   .   1   1   11   TYR   HB2    .   .   .   .   .   .   .   .   .   .   435   .   18226   13
      29   3   1   .   .   38.681   .   .   1   .   1   1   11   TYR   CB     .   .   .   .   .   .   .   .   .   .   433   .   18226   13
      30   1   1   .   .   4.510    .   .   1   .   1   1   11   TYR   HA     .   .   .   .   .   .   .   .   .   .   434   .   18226   13
      30   2   1   .   .   2.877    .   .   1   .   1   1   11   TYR   HB3    .   .   .   .   .   .   .   .   .   .   436   .   18226   13
      30   3   1   .   .   38.681   .   .   1   .   1   1   11   TYR   CB     .   .   .   .   .   .   .   .   .   .   433   .   18226   13
      31   1   1   .   .   2.149    .   .   1   .   1   1   53   VAL   HB     .   .   .   .   .   .   .   .   .   .   341   .   18226   13
      31   2   1   .   .   3.674    .   .   1   .   1   1   53   VAL   HA     .   .   .   .   .   .   .   .   .   .   462   .   18226   13
      31   3   1   .   .   66.060   .   .   1   .   1   1   53   VAL   CA     .   .   .   .   .   .   .   .   .   .   459   .   18226   13
      32   1   1   .   .   1.056    .   .   1   .   1   1   22   THR   MG     .   .   .   .   .   .   .   .   .   .   380   .   18226   13
      32   2   1   .   .   4.116    .   .   1   .   1   1   22   THR   HB     .   .   .   .   .   .   .   .   .   .   490   .   18226   13
      32   3   1   .   .   69.586   .   .   1   .   1   1   22   THR   CB     .   .   .   .   .   .   .   .   .   .   93    .   18226   13
      33   1   1   .   .   3.819    .   .   1   .   1   1   55   ARG   HA     .   .   .   .   .   .   .   .   .   .   222   .   18226   13
      33   2   1   .   .   1.525    .   .   1   .   1   1   55   ARG   HB3    .   .   .   .   .   .   .   .   .   .   532   .   18226   13
      33   3   1   .   .   29.812   .   .   1   .   1   1   55   ARG   CB     .   .   .   .   .   .   .   .   .   .   533   .   18226   13
      34   1   1   .   .   1.513    .   .   1   .   1   1   25   LYS   HD3    .   .   .   .   .   .   .   .   .   .   385   .   18226   13
      34   2   1   .   .   2.865    .   .   1   .   1   1   25   LYS   HE2    .   .   .   .   .   .   .   .   .   .   384   .   18226   13
      34   3   1   .   .   41.914   .   .   1   .   1   1   25   LYS   CE     .   .   .   .   .   .   .   .   .   .   522   .   18226   13
      35   1   1   .   .   1.509    .   .   1   .   1   1   25   LYS   HD3    .   .   .   .   .   .   .   .   .   .   385   .   18226   13
      35   2   1   .   .   0.865    .   .   1   .   1   1   25   LYS   HG2    .   .   .   .   .   .   .   .   .   .   523   .   18226   13
      35   3   1   .   .   24.371   .   .   1   .   1   1   25   LYS   CG     .   .   .   .   .   .   .   .   .   .   525   .   18226   13
      36   1   1   .   .   2.953    .   .   1   .   1   1   57   LYS   HE2    .   .   .   .   .   .   .   .   .   .   398   .   18226   13
      36   2   1   .   .   1.654    .   .   1   .   1   1   57   LYS   HD3    .   .   .   .   .   .   .   .   .   .   397   .   18226   13
      36   3   1   .   .   29.172   .   .   1   .   1   1   57   LYS   CD     .   .   .   .   .   .   .   .   .   .   417   .   18226   13
      37   1   1   .   .   1.452    .   .   1   .   1   1   57   LYS   HG2    .   .   .   .   .   .   .   .   .   .   416   .   18226   13
      37   2   1   .   .   1.657    .   .   1   .   1   1   57   LYS   HD3    .   .   .   .   .   .   .   .   .   .   397   .   18226   13
      37   3   1   .   .   29.091   .   .   1   .   1   1   57   LYS   CD     .   .   .   .   .   .   .   .   .   .   417   .   18226   13
      38   1   1   .   .   1.659    .   .   1   .   1   1   57   LYS   HD3    .   .   .   .   .   .   .   .   .   .   397   .   18226   13
      38   2   1   .   .   1.456    .   .   1   .   1   1   57   LYS   HG2    .   .   .   .   .   .   .   .   .   .   416   .   18226   13
      38   3   1   .   .   24.985   .   .   1   .   1   1   57   LYS   CG     .   .   .   .   .   .   .   .   .   .   415   .   18226   13
      39   1   1   .   .   1.868    .   .   1   .   1   1   57   LYS   HB2    .   .   .   .   .   .   .   .   .   .   395   .   18226   13
      39   2   1   .   .   1.474    .   .   1   .   1   1   57   LYS   HG2    .   .   .   .   .   .   .   .   .   .   416   .   18226   13
      39   3   1   .   .   25.112   .   .   1   .   1   1   57   LYS   CG     .   .   .   .   .   .   .   .   .   .   415   .   18226   13
      40   1   1   .   .   1.521    .   .   1   .   1   1   55   ARG   HB3    .   .   .   .   .   .   .   .   .   .   532   .   18226   13
      40   2   1   .   .   3.812    .   .   1   .   1   1   55   ARG   HA     .   .   .   .   .   .   .   .   .   .   222   .   18226   13
      40   3   1   .   .   57.642   .   .   1   .   1   1   55   ARG   CA     .   .   .   .   .   .   .   .   .   .   531   .   18226   13
      41   1   1   .   .   2.838    .   .   1   .   1   1   55   ARG   HD2    .   .   .   .   .   .   .   .   .   .   537   .   18226   13
      41   2   1   .   .   1.272    .   .   1   .   1   1   55   ARG   HG3    .   .   .   .   .   .   .   .   .   .   535   .   18226   13
      41   3   1   .   .   27.032   .   .   1   .   1   1   55   ARG   CG     .   .   .   .   .   .   .   .   .   .   536   .   18226   13
      42   1   1   .   .   2.756    .   .   1   .   1   1   55   ARG   HD3    .   .   .   .   .   .   .   .   .   .   534   .   18226   13
      42   2   1   .   .   1.273    .   .   1   .   1   1   55   ARG   HG3    .   .   .   .   .   .   .   .   .   .   535   .   18226   13
      42   3   1   .   .   27.072   .   .   1   .   1   1   55   ARG   CG     .   .   .   .   .   .   .   .   .   .   536   .   18226   13
      43   1   1   .   .   1.271    .   .   1   .   1   1   55   ARG   HG3    .   .   .   .   .   .   .   .   .   .   535   .   18226   13
      43   2   1   .   .   2.759    .   .   1   .   1   1   55   ARG   HD3    .   .   .   .   .   .   .   .   .   .   534   .   18226   13
      43   3   1   .   .   42.914   .   .   1   .   1   1   55   ARG   CD     .   .   .   .   .   .   .   .   .   .   538   .   18226   13
      44   1   1   .   .   1.280    .   .   1   .   1   1   55   ARG   HG3    .   .   .   .   .   .   .   .   .   .   535   .   18226   13
      44   2   1   .   .   2.833    .   .   1   .   1   1   55   ARG   HD2    .   .   .   .   .   .   .   .   .   .   537   .   18226   13
      44   3   1   .   .   42.914   .   .   1   .   1   1   55   ARG   CD     .   .   .   .   .   .   .   .   .   .   538   .   18226   13
      45   1   1   .   .   0.957    .   .   1   .   1   1   40   LEU   MD2    .   .   .   .   .   .   .   .   .   .   419   .   18226   13
      45   1   2   .   .   0.957    .   .   1   .   1   1   40   LEU   MD1    .   .   .   .   .   .   .   .   .   .   630   .   18226   13
      45   2   1   .   .   1.914    .   .   1   .   1   1   40   LEU   HG     .   .   .   .   .   .   .   .   .   .   420   .   18226   13
      45   3   1   .   .   27.200   .   .   1   .   1   1   40   LEU   CG     .   .   .   .   .   .   .   .   .   .   421   .   18226   13
      46   1   1   .   .   1.959    .   .   1   .   1   1   32   PRO   HG2    .   .   .   .   .   .   .   .   .   .   565   .   18226   13
      46   2   1   .   .   3.641    .   .   1   .   1   1   32   PRO   HD3    .   .   .   .   .   .   .   .   .   .   505   .   18226   13
      46   3   1   .   .   49.599   .   .   1   .   1   1   32   PRO   CD     .   .   .   .   .   .   .   .   .   .   382   .   18226   13
      47   1   1   .   .   2.167    .   .   1   .   1   1   32   PRO   HG3    .   .   .   .   .   .   .   .   .   .   564   .   18226   13
      47   2   1   .   .   3.646    .   .   1   .   1   1   32   PRO   HD3    .   .   .   .   .   .   .   .   .   .   505   .   18226   13
      47   3   1   .   .   49.592   .   .   1   .   1   1   32   PRO   CD     .   .   .   .   .   .   .   .   .   .   382   .   18226   13
      48   1   1   .   .   4.107    .   .   1   .   1   1   37   LEU   HA     .   .   .   .   .   .   .   .   .   .   447   .   18226   13
      48   2   1   .   .   1.902    .   .   1   .   1   1   37   LEU   HB2    .   .   .   .   .   .   .   .   .   .   560   .   18226   13
      48   3   1   .   .   42.053   .   .   1   .   1   1   37   LEU   CB     .   .   .   .   .   .   .   .   .   .   573   .   18226   13
      49   1   1   .   .   1.269    .   .   1   .   1   1   31   ILE   HG13   .   .   .   .   .   .   .   .   .   .   480   .   18226   13
      49   2   1   .   .   0.945    .   .   1   .   1   1   31   ILE   MD     .   .   .   .   .   .   .   .   .   .   368   .   18226   13
      49   3   1   .   .   12.077   .   .   1   .   1   1   31   ILE   CD1    .   .   .   .   .   .   .   .   .   .   370   .   18226   13
      50   1   1   .   .   2.181    .   .   1   .   1   1   31   ILE   HB     .   .   .   .   .   .   .   .   .   .   369   .   18226   13
      50   2   1   .   .   0.889    .   .   1   .   1   1   31   ILE   MG     .   .   .   .   .   .   .   .   .   .   372   .   18226   13
      50   3   1   .   .   17.796   .   .   1   .   1   1   31   ILE   CG2    .   .   .   .   .   .   .   .   .   .   373   .   18226   13
      51   1   1   .   .   4.303    .   .   1   .   1   1   13   ALA   HA     .   .   .   .   .   .   .   .   .   .   376   .   18226   13
      51   2   1   .   .   1.363    .   .   1   .   1   1   13   ALA   MB     .   .   .   .   .   .   .   .   .   .   243   .   18226   13
      51   3   1   .   .   19.408   .   .   1   .   1   1   13   ALA   CB     .   .   .   .   .   .   .   .   .   .   399   .   18226   13
      52   1   1   .   .   1.699    .   .   1   .   1   1   30   LEU   HB3    .   .   .   .   .   .   .   .   .   .   619   .   18226   13
      52   2   1   .   .   4.206    .   .   1   .   1   1   30   LEU   HA     .   .   .   .   .   .   .   .   .   .   401   .   18226   13
      52   3   1   .   .   57.365   .   .   1   .   1   1   30   LEU   CA     .   .   .   .   .   .   .   .   .   .   315   .   18226   13
      53   1   1   .   .   2.178    .   .   1   .   1   1   31   ILE   HB     .   .   .   .   .   .   .   .   .   .   369   .   18226   13
      53   2   1   .   .   3.917    .   .   1   .   1   1   31   ILE   HA     .   .   .   .   .   .   .   .   .   .   367   .   18226   13
      53   3   1   .   .   66.021   .   .   1   .   1   1   31   ILE   CA     .   .   .   .   .   .   .   .   .   .   483   .   18226   13
      54   1   1   .   .   1.576    .   .   1   .   1   1   33   ALA   MB     .   .   .   .   .   .   .   .   .   .   374   .   18226   13
      54   2   1   .   .   4.194    .   .   1   .   1   1   33   ALA   HA     .   .   .   .   .   .   .   .   .   .   229   .   18226   13
      54   3   1   .   .   55.464   .   .   1   .   1   1   33   ALA   CA     .   .   .   .   .   .   .   .   .   .   377   .   18226   13
      55   1   1   .   .   2.182    .   .   1   .   1   1   38   VAL   HB     .   .   .   .   .   .   .   .   .   .   346   .   18226   13
      55   2   1   .   .   3.522    .   .   1   .   1   1   38   VAL   HA     .   .   .   .   .   .   .   .   .   .   445   .   18226   13
      55   3   1   .   .   67.113   .   .   1   .   1   1   38   VAL   CA     .   .   .   .   .   .   .   .   .   .   343   .   18226   13
      56   1   1   .   .   1.575    .   .   1   .   1   1   41   LEU   HB2    .   .   .   .   .   .   .   .   .   .   557   .   18226   13
      56   2   1   .   .   4.097    .   .   1   .   1   1   41   LEU   HA     .   .   .   .   .   .   .   .   .   .   438   .   18226   13
      56   3   1   .   .   57.350   .   .   1   .   1   1   41   LEU   CA     .   .   .   .   .   .   .   .   .   .   549   .   18226   13
      57   1   2   .   .   4.311    .   .   1   .   1   1   44   THR   HB     .   .   .   .   .   .   .   .   .   .   487   .   18226   13
      57   2   1   .   .   1.269    .   .   1   .   1   1   44   THR   MG     .   .   .   .   .   .   .   .   .   .   317   .   18226   13
      57   3   1   .   .   21.884   .   .   1   .   1   1   44   THR   CG2    .   .   .   .   .   .   .   .   .   .   488   .   18226   13
      58   1   1   .   .   1.286    .   .   1   .   1   1   44   THR   MG     .   .   .   .   .   .   .   .   .   .   317   .   18226   13
      58   2   1   .   .   4.300    .   .   1   .   1   1   44   THR   HB     .   .   .   .   .   .   .   .   .   .   487   .   18226   13
      58   3   1   .   .   70.217   .   .   1   .   1   1   44   THR   CB     .   .   .   .   .   .   .   .   .   .   486   .   18226   13
      59   1   1   .   .   4.395    .   .   1   .   1   1   52   THR   HB     .   .   .   .   .   .   .   .   .   .   634   .   18226   13
      59   2   1   .   .   1.275    .   .   1   .   1   1   52   THR   MG     .   .   .   .   .   .   .   .   .   .   461   .   18226   13
      59   3   1   .   .   21.876   .   .   1   .   1   1   52   THR   CG2    .   .   .   .   .   .   .   .   .   .   489   .   18226   13
      60   1   1   .   .   4.038    .   .   1   .   1   1   50   LEU   HA     .   .   .   .   .   .   .   .   .   .   238   .   18226   13
      60   2   1   .   .   1.561    .   .   1   .   1   1   50   LEU   HB3    .   .   .   .   .   .   .   .   .   .   491   .   18226   13
      60   3   1   .   .   41.864   .   .   1   .   1   1   50   LEU   CB     .   .   .   .   .   .   .   .   .   .   492   .   18226   13
      61   1   1   .   .   1.888    .   .   1   .   1   1   50   LEU   HB2    .   .   .   .   .   .   .   .   .   .   639   .   18226   13
      61   2   1   .   .   4.038    .   .   1   .   1   1   50   LEU   HA     .   .   .   .   .   .   .   .   .   .   238   .   18226   13
      61   3   1   .   .   57.824   .   .   1   .   1   1   50   LEU   CA     .   .   .   .   .   .   .   .   .   .   304   .   18226   13
      62   1   1   .   .   1.553    .   .   1   .   1   1   56   LYS   HG2    .   .   .   .   .   .   .   .   .   .   529   .   18226   13
      62   2   1   .   .   1.885    .   .   1   .   1   1   56   LYS   HB2    .   .   .   .   .   .   .   .   .   .   596   .   18226   13
      62   3   1   .   .   32.832   .   .   1   .   1   1   56   LYS   CB     .   .   .   .   .   .   .   .   .   .   597   .   18226   13
      63   1   1   .   .   4.170    .   .   1   .   1   1   56   LYS   HA     .   .   .   .   .   .   .   .   .   .   242   .   18226   13
      63   2   1   .   .   1.869    .   .   1   .   1   1   56   LYS   HB2    .   .   .   .   .   .   .   .   .   .   596   .   18226   13
      63   3   1   .   .   32.964   .   .   1   .   1   1   56   LYS   CB     .   .   .   .   .   .   .   .   .   .   597   .   18226   13
      64   1   1   .   .   1.818    .   .   1   .   1   1   30   LEU   HB2    .   .   .   .   .   .   .   .   .   .   647   .   18226   13
      64   2   1   .   .   4.207    .   .   1   .   1   1   30   LEU   HA     .   .   .   .   .   .   .   .   .   .   401   .   18226   13
      64   3   1   .   .   57.364   .   .   1   .   1   1   30   LEU   CA     .   .   .   .   .   .   .   .   .   .   315   .   18226   13
      65   1   1   .   .   1.651    .   .   1   .   1   1   40   LEU   HB3    .   .   .   .   .   .   .   .   .   .   648   .   18226   13
      65   2   1   .   .   1.984    .   .   1   .   1   1   40   LEU   HB2    .   .   .   .   .   .   .   .   .   .   562   .   18226   13
      65   3   1   .   .   42.364   .   .   1   .   1   1   40   LEU   CB     .   .   .   .   .   .   .   .   .   .   563   .   18226   13
      66   1   1   .   .   4.198    .   .   1   .   1   1   33   ALA   HA     .   .   .   .   .   .   .   .   .   .   229   .   18226   13
      66   2   1   .   .   1.565    .   .   1   .   1   1   33   ALA   MB     .   .   .   .   .   .   .   .   .   .   374   .   18226   13
      66   3   1   .   .   18.413   .   .   1   .   1   1   33   ALA   CB     .   .   .   .   .   .   .   .   .   .   375   .   18226   13
   stop_
save_