Content for NMR-STAR saveframe, "peak_list_1_2_3"

    save_peak_list_1_2_3
   _Spectral_peak_list.Sf_category                      spectral_peak_list
   _Spectral_peak_list.Sf_framecode                     peak_list_1_2_3
   _Spectral_peak_list.Entry_ID                         18225
   _Spectral_peak_list.ID                               3
   _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                    3
   _Spectral_peak_list.Experiment_name                  '3D HNCA'
   _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    .   .   4000.00000000   .   .   .   .   .   .   .   18225   3
      2   .   .   C   13   13C   .   .   3769.56201172   .   .   .   .   .   .   .   18225   3
      3   .   .   N   15   15N   .   .   1417.78601074   .   .   .   .   .   .   .   18225   3
   stop_

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

      1    1.0   .   .   18225   3
      2    1.0   .   .   18225   3
      3    1.0   .   .   18225   3
      4    1.0   .   .   18225   3
      5    1.0   .   .   18225   3
      6    1.0   .   .   18225   3
      7    1.0   .   .   18225   3
      8    1.0   .   .   18225   3
      9    1.0   .   .   18225   3
      10   1.0   .   .   18225   3
      11   1.0   .   .   18225   3
      12   1.0   .   .   18225   3
      13   1.0   .   .   18225   3
      14   1.0   .   .   18225   3
      15   1.0   .   .   18225   3
      16   1.0   .   .   18225   3
      17   1.0   .   .   18225   3
      18   1.0   .   .   18225   3
      19   1.0   .   .   18225   3
      20   1.0   .   .   18225   3
      21   1.0   .   .   18225   3
      22   1.0   .   .   18225   3
      23   1.0   .   .   18225   3
      24   1.0   .   .   18225   3
      25   1.0   .   .   18225   3
      26   1.0   .   .   18225   3
      27   1.0   .   .   18225   3
      28   1.0   .   .   18225   3
      29   1.0   .   .   18225   3
      30   1.0   .   .   18225   3
      31   1.0   .   .   18225   3
      32   1.0   .   .   18225   3
      33   1.0   .   .   18225   3
      34   1.0   .   .   18225   3
      35   1.0   .   .   18225   3
      36   1.0   .   .   18225   3
      37   1.0   .   .   18225   3
      38   1.0   .   .   18225   3
      39   1.0   .   .   18225   3
      40   1.0   .   .   18225   3
      41   1.0   .   .   18225   3
      42   1.0   .   .   18225   3
      43   1.0   .   .   18225   3
      44   1.0   .   .   18225   3
      45   1.0   .   .   18225   3
      46   1.0   .   .   18225   3
      47   1.0   .   .   18225   3
      48   1.0   .   .   18225   3
      49   1.0   .   .   18225   3
      50   1.0   .   .   18225   3
      51   1.0   .   .   18225   3
      52   1.0   .   .   18225   3
      53   1.0   .   .   18225   3
      54   1.0   .   .   18225   3
      55   1.0   .   .   18225   3
      56   1.0   .   .   18225   3
      57   1.0   .   .   18225   3
      58   1.0   .   .   18225   3
      59   1.0   .   .   18225   3
      60   1.0   .   .   18225   3
      61   1.0   .   .   18225   3
      62   1.0   .   .   18225   3
      63   1.0   .   .   18225   3
      64   1.0   .   .   18225   3
      65   1.0   .   .   18225   3
      66   1.0   .   .   18225   3
      67   1.0   .   .   18225   3
      68   1.0   .   .   18225   3
      69   1.0   .   .   18225   3
      70   1.0   .   .   18225   3
      71   1.0   .   .   18225   3
      72   1.0   .   .   18225   3
      73   1.0   .   .   18225   3
      74   1.0   .   .   18225   3
      75   1.0   .   .   18225   3
      76   1.0   .   .   18225   3
      77   1.0   .   .   18225   3
      78   1.0   .   .   18225   3
      79   1.0   .   .   18225   3
      80   1.0   .   .   18225   3
      81   1.0   .   .   18225   3
      82   1.0   .   .   18225   3
      83   1.0   .   .   18225   3
      84   1.0   .   .   18225   3
      85   1.0   .   .   18225   3
   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    195251.6718750     .   height   18225   3
      1    2210628.4155300    .   volume   18225   3
      2    76335.2109375      .   height   18225   3
      2    869460.4418950     .   volume   18225   3
      3    187701.2187500     .   height   18225   3
      3    1803722.3242200    .   volume   18225   3
      4    1891983.3750000    .   height   18225   3
      4    16374284.3594000   .   volume   18225   3
      5    88808.8125000      .   height   18225   3
      5    1145378.2641600    .   volume   18225   3
      6    447274.7500000     .   height   18225   3
      6    4229335.8281200    .   volume   18225   3
      7    174216.7500000     .   height   18225   3
      7    1839649.2412100    .   volume   18225   3
      8    52681.9765625      .   height   18225   3
      8    563607.4687500     .   volume   18225   3
      9    57755.0703125      .   height   18225   3
      9    697936.6271970     .   volume   18225   3
      10   217925.2812500     .   height   18225   3
      10   2276372.7177700    .   volume   18225   3
      11   362279.5000000     .   height   18225   3
      11   4013896.9682600    .   volume   18225   3
      12   142684.5156250     .   height   18225   3
      12   1494939.1845700    .   volume   18225   3
      13   36550.7695312      .   height   18225   3
      13   368882.0027770     .   volume   18225   3
      14   347320.5312500     .   height   18225   3
      14   3179162.0371100    .   volume   18225   3
      15   50653.7812500      .   height   18225   3
      15   682438.8028560     .   volume   18225   3
      16   169957.6562500     .   height   18225   3
      16   2169519.7675800    .   volume   18225   3
      17   91350.3125000      .   height   18225   3
      17   1185020.8076200    .   volume   18225   3
      18   40423.8125000      .   height   18225   3
      18   498768.3051760     .   volume   18225   3
      19   1684232.1250000    .   height   18225   3
      19   15500455.9375000   .   volume   18225   3
      20   720990.5000000     .   height   18225   3
      20   7517289.5000000    .   volume   18225   3
      21   46922.1406250      .   height   18225   3
      21   555343.2731930     .   volume   18225   3
      22   173485.5937500     .   height   18225   3
      22   1788567.3173800    .   volume   18225   3
      23   142578.2187500     .   height   18225   3
      23   1485693.4921900    .   volume   18225   3
      24   257134.0468750     .   height   18225   3
      24   2460822.3359400    .   volume   18225   3
      25   154832.4375000     .   height   18225   3
      25   1421532.3308100    .   volume   18225   3
      26   105437.4062500     .   height   18225   3
      26   1199235.9555700    .   volume   18225   3
      27   60722.5429688      .   height   18225   3
      27   786437.6354980     .   volume   18225   3
      28   89646.7031250      .   height   18225   3
      28   1035793.2331500    .   volume   18225   3
      29   377393.2187500     .   height   18225   3
      29   5010074.3925800    .   volume   18225   3
      30   516220.9687500     .   height   18225   3
      30   5092061.5761700    .   volume   18225   3
      31   1193223.3750000    .   height   18225   3
      31   11386858.9961000   .   volume   18225   3
      32   434492.1250000     .   height   18225   3
      32   4114634.7705100    .   volume   18225   3
      33   124256.5312500     .   height   18225   3
      33   1453788.7841800    .   volume   18225   3
      34   544347.3750000     .   height   18225   3
      34   6819656.4531200    .   volume   18225   3
      35   62925.2773438      .   height   18225   3
      35   898368.4379880     .   volume   18225   3
      36   57491.7890625      .   height   18225   3
      36   658774.1845700     .   volume   18225   3
      37   218672.6875000     .   height   18225   3
      37   2536718.8710900    .   volume   18225   3
      38   603236.0000000     .   height   18225   3
      38   6190849.3027300    .   volume   18225   3
      39   270378.6250000     .   height   18225   3
      39   3117861.9023400    .   volume   18225   3
      40   97206.7421875      .   height   18225   3
      40   1245151.7673300    .   volume   18225   3
      41   36015.7109375      .   height   18225   3
      41   366782.4969480     .   volume   18225   3
      42   76315.9375000      .   height   18225   3
      42   908507.6562500     .   volume   18225   3
      43   103116.5468750     .   height   18225   3
      43   1098243.3935500    .   volume   18225   3
      44   377128.4375000     .   height   18225   3
      44   3713833.0722700    .   volume   18225   3
      45   809866.3125000     .   height   18225   3
      45   7465018.6757800    .   volume   18225   3
      46   398672.8125000     .   height   18225   3
      46   4435816.0293000    .   volume   18225   3
      47   325188.6562500     .   height   18225   3
      47   4141105.8750000    .   volume   18225   3
      48   272067.5625000     .   height   18225   3
      48   2594300.7812500    .   volume   18225   3
      49   115467.9843750     .   height   18225   3
      49   1147610.3801300    .   volume   18225   3
      50   215180.9062500     .   height   18225   3
      50   2593563.7226600    .   volume   18225   3
      51   44845.8242188      .   height   18225   3
      51   541577.8710940     .   volume   18225   3
      52   94538.1250000      .   height   18225   3
      52   917449.9177250     .   volume   18225   3
      53   1822635.6250000    .   height   18225   3
      53   18017090.9375000   .   volume   18225   3
      54   52826.1289062      .   height   18225   3
      54   506238.0118410     .   volume   18225   3
      55   76065.7031250      .   height   18225   3
      55   952536.1025390     .   volume   18225   3
      56   419651.8750000     .   height   18225   3
      56   4630576.2812500    .   volume   18225   3
      57   426437.4375000     .   height   18225   3
      57   3868682.1972700    .   volume   18225   3
      58   80000.6562500      .   height   18225   3
      58   840988.5058590     .   volume   18225   3
      59   221230.5937500     .   height   18225   3
      59   2462490.4609400    .   volume   18225   3
      60   112104.5781250     .   height   18225   3
      60   1257708.1777300    .   volume   18225   3
      61   392022.5000000     .   height   18225   3
      61   3745059.3066400    .   volume   18225   3
      62   112896.1718750     .   height   18225   3
      62   1519862.8906200    .   volume   18225   3
      63   332202.9062500     .   height   18225   3
      63   3740999.7138700    .   volume   18225   3
      64   107938.1875000     .   height   18225   3
      64   1167227.0114700    .   volume   18225   3
      65   40893.2695312      .   height   18225   3
      65   522870.2709960     .   volume   18225   3
      66   35928.7578125      .   height   18225   3
      66   420853.0620120     .   volume   18225   3
      67   295858.1250000     .   height   18225   3
      67   3700923.0000000    .   volume   18225   3
      68   850166.9375000     .   height   18225   3
      68   10300931.2969000   .   volume   18225   3
      69   95231.5937500      .   height   18225   3
      69   1514645.0908200    .   volume   18225   3
      70   66482.2500000      .   height   18225   3
      70   611685.1047360     .   volume   18225   3
      71   123542.2812500     .   height   18225   3
      71   1417561.8584000    .   volume   18225   3
      72   121006.2343750     .   height   18225   3
      72   1514003.2680700    .   volume   18225   3
      73   95812.0156250      .   height   18225   3
      73   1870210.0786100    .   volume   18225   3
      74   49131.7656250      .   height   18225   3
      74   868129.8198240     .   volume   18225   3
      75   44645.6484375      .   height   18225   3
      75   444704.9389650     .   volume   18225   3
      76   93402.0156250      .   height   18225   3
      76   1162666.3925800    .   volume   18225   3
      77   129021.0000000     .   height   18225   3
      77   2557176.9179700    .   volume   18225   3
      78   48596.3593750      .   height   18225   3
      78   624066.3249510     .   volume   18225   3
      79   42214.4375000      .   height   18225   3
      79   384660.3244630     .   volume   18225   3
      80   38707.0976562      .   height   18225   3
      80   555125.5611570     .   volume   18225   3
      81   29656.8593750      .   height   18225   3
      81   289118.7242430     .   volume   18225   3
      82   73286.3203125      .   height   18225   3
      82   1214041.5527300    .   volume   18225   3
      83   24288.0332031      .   height   18225   3
      83   106393.2869870     .   volume   18225   3
      84   27979.0917969      .   height   18225   3
      84   189906.8083500     .   volume   18225   3
      85   45964.3984375      .   height   18225   3
      85   437742.8354490     .   volume   18225   3
   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   7.897     .   25.6316661835    .   .   .   .   .   .   .   .   .   .   .   18225   3
      1    2   59.199    .   71.1757706390    .   .   .   .   .   .   .   .   .   .   .   18225   3
      1    3   118.996   .   49.2597183364    .   .   .   .   .   .   .   .   .   .   .   18225   3
      2    1   7.901     .   28.6283493042    .   .   .   .   .   .   .   .   .   .   .   18225   3
      2    2   53.789    .   69.7776781535    .   .   .   .   .   .   .   .   .   .   .   18225   3
      2    3   118.991   .   39.9762000755    .   .   .   .   .   .   .   .   .   .   .   18225   3
      3    1   7.895     .   22.7394104004    .   .   .   .   .   .   .   .   .   .   .   18225   3
      3    2   58.748    .   73.5846014205    .   .   .   .   .   .   .   .   .   .   .   18225   3
      3    3   113.826   .   39.9874394575    .   .   .   .   .   .   .   .   .   .   .   18225   3
      4    1   8.222     .   23.7936973572    .   .   .   .   .   .   .   .   .   .   .   18225   3
      4    2   45.474    .   58.1990682608    .   .   .   .   .   .   .   .   .   .   .   18225   3
      4    3   108.237   .   36.8285815706    .   .   .   .   .   .   .   .   .   .   .   18225   3
      5    1   7.801     .   24.4638919830    .   .   .   .   .   .   .   .   .   .   .   18225   3
      5    2   57.520    .   85.2540957504    .   .   .   .   .   .   .   .   .   .   .   18225   3
      5    3   118.698   .   50.1761505021    .   .   .   .   .   .   .   .   .   .   .   18225   3
      6    1   8.223     .   21.1520195007    .   .   .   .   .   .   .   .   .   .   .   18225   3
      6    2   59.193    .   69.1017181305    .   .   .   .   .   .   .   .   .   .   .   18225   3
      6    3   115.741   .   39.1204859245    .   .   .   .   .   .   .   .   .   .   .   18225   3
      7    1   8.221     .   22.0284461975    .   .   .   .   .   .   .   .   .   .   .   18225   3
      7    2   56.621    .   82.8079675238    .   .   .   .   .   .   .   .   .   .   .   18225   3
      7    3   115.746   .   40.5525353026    .   .   .   .   .   .   .   .   .   .   .   18225   3
      8    1   8.285     .   22.4268436432    .   .   .   .   .   .   .   .   .   .   .   18225   3
      8    2   46.425    .   77.3414202882    .   .   .   .   .   .   .   .   .   .   .   18225   3
      8    3   105.229   .   41.2593487688    .   .   .   .   .   .   .   .   .   .   .   18225   3
      9    1   8.117     .   42.6087379456    .   .   .   .   .   .   .   .   .   .   .   18225   3
      9    2   60.121    .   76.6860187968    .   .   .   .   .   .   .   .   .   .   .   18225   3
      9    3   118.295   .   38.6906851965    .   .   .   .   .   .   .   .   .   .   .   18225   3
      10   1   8.505     .   24.9049663544    .   .   .   .   .   .   .   .   .   .   .   18225   3
      10   2   55.328    .   73.7581693506    .   .   .   .   .   .   .   .   .   .   .   18225   3
      10   3   118.837   .   39.2902597473    .   .   .   .   .   .   .   .   .   .   .   18225   3
      11   1   7.983     .   24.8394012451    .   .   .   .   .   .   .   .   .   .   .   18225   3
      11   2   52.758    .   66.6550281954    .   .   .   .   .   .   .   .   .   .   .   18225   3
      11   3   122.932   .   44.0538985671    .   .   .   .   .   .   .   .   .   .   .   18225   3
      12   1   7.987     .   24.6856212616    .   .   .   .   .   .   .   .   .   .   .   18225   3
      12   2   45.452    .   64.1495835500    .   .   .   .   .   .   .   .   .   .   .   18225   3
      12   3   122.958   .   44.1594050966    .   .   .   .   .   .   .   .   .   .   .   18225   3
      13   1   8.135     .   22.3088264465    .   .   .   .   .   .   .   .   .   .   .   18225   3
      13   2   56.528    .   91.4642327137    .   .   .   .   .   .   .   .   .   .   .   18225   3
      13   3   107.792   .   28.4704531783    .   .   .   .   .   .   .   .   .   .   .   18225   3
      14   1   8.139     .   25.5594253540    .   .   .   .   .   .   .   .   .   .   .   18225   3
      14   2   45.459    .   61.2066803156    .   .   .   .   .   .   .   .   .   .   .   18225   3
      14   3   107.799   .   34.0876934833    .   .   .   .   .   .   .   .   .   .   .   18225   3
      15   1   8.414     .   28.9213657379    .   .   .   .   .   .   .   .   .   .   .   18225   3
      15   2   67.105    .   83.9978908349    .   .   .   .   .   .   .   .   .   .   .   18225   3
      15   3   118.001   .   45.3831878812    .   .   .   .   .   .   .   .   .   .   .   18225   3
      16   1   8.394     .   33.4684848785    .   .   .   .   .   .   .   .   .   .   .   18225   3
      16   2   55.019    .   75.5194625598    .   .   .   .   .   .   .   .   .   .   .   18225   3
      16   3   117.540   .   45.5302716734    .   .   .   .   .   .   .   .   .   .   .   18225   3
      17   1   8.389     .   34.8007678986    .   .   .   .   .   .   .   .   .   .   .   18225   3
      17   2   45.008    .   73.4948404003    .   .   .   .   .   .   .   .   .   .   .   18225   3
      17   3   117.533   .   43.9955044847    .   .   .   .   .   .   .   .   .   .   .   18225   3
      18   1   8.265     .   19.0939903259    .   .   .   .   .   .   .   .   .   .   .   18225   3
      18   2   66.285    .   93.4429632877    .   .   .   .   .   .   .   .   .   .   .   18225   3
      18   3   116.491   .   43.0770019065    .   .   .   .   .   .   .   .   .   .   .   18225   3
      19   1   8.337     .   20.4765796661    .   .   .   .   .   .   .   .   .   .   .   18225   3
      19   2   57.120    .   67.9769530068    .   .   .   .   .   .   .   .   .   .   .   18225   3
      19   3   125.300   .   37.2635160765    .   .   .   .   .   .   .   .   .   .   .   18225   3
      20   1   8.338     .   20.6995010376    .   .   .   .   .   .   .   .   .   .   .   18225   3
      20   2   55.526    .   82.2707495032    .   .   .   .   .   .   .   .   .   .   .   18225   3
      20   3   125.288   .   37.5976130442    .   .   .   .   .   .   .   .   .   .   .   18225   3
      21   1   8.112     .   25.9039402008    .   .   .   .   .   .   .   .   .   .   .   18225   3
      21   2   63.203    .   112.8419037630   .   .   .   .   .   .   .   .   .   .   .   18225   3
      21   3   120.465   .   37.6723380332    .   .   .   .   .   .   .   .   .   .   .   18225   3
      22   1   8.112     .   24.5845317841    .   .   .   .   .   .   .   .   .   .   .   18225   3
      22   2   53.878    .   79.6026340728    .   .   .   .   .   .   .   .   .   .   .   18225   3
      22   3   120.546   .   40.0340448648    .   .   .   .   .   .   .   .   .   .   .   18225   3
      23   1   7.744     .   25.5429744720    .   .   .   .   .   .   .   .   .   .   .   18225   3
      23   2   63.170    .   81.6987055549    .   .   .   .   .   .   .   .   .   .   .   18225   3
      23   3   112.152   .   33.5787100415    .   .   .   .   .   .   .   .   .   .   .   18225   3
      24   1   8.162     .   22.7274894714    .   .   .   .   .   .   .   .   .   .   .   18225   3
      24   2   55.219    .   71.5349270614    .   .   .   .   .   .   .   .   .   .   .   18225   3
      24   3   117.018   .   35.0481958574    .   .   .   .   .   .   .   .   .   .   .   18225   3
      25   1   8.162     .   23.8955020905    .   .   .   .   .   .   .   .   .   .   .   18225   3
      25   2   45.451    .   63.2973593961    .   .   .   .   .   .   .   .   .   .   .   18225   3
      25   3   116.986   .   37.7506334273    .   .   .   .   .   .   .   .   .   .   .   18225   3
      26   1   8.141     .   26.3166427612    .   .   .   .   .   .   .   .   .   .   .   18225   3
      26   2   59.882    .   72.6179010719    .   .   .   .   .   .   .   .   .   .   .   18225   3
      26   3   116.646   .   40.9233504018    .   .   .   .   .   .   .   .   .   .   .   18225   3
      27   1   7.874     .   49.2749214172    .   .   .   .   .   .   .   .   .   .   .   18225   3
      27   2   57.770    .   107.5222433040   .   .   .   .   .   .   .   .   .   .   .   18225   3
      27   3   119.461   .   47.9168234546    .   .   .   .   .   .   .   .   .   .   .   18225   3
      28   1   8.036     .   27.3778438568    .   .   .   .   .   .   .   .   .   .   .   18225   3
      28   2   57.617    .   88.3150701139    .   .   .   .   .   .   .   .   .   .   .   18225   3
      28   3   117.766   .   41.3237005687    .   .   .   .   .   .   .   .   .   .   .   18225   3
      29   1   8.684     .   36.4807844162    .   .   .   .   .   .   .   .   .   .   .   18225   3
      29   2   55.338    .   67.8343913865    .   .   .   .   .   .   .   .   .   .   .   18225   3
      29   3   120.345   .   51.0101041954    .   .   .   .   .   .   .   .   .   .   .   18225   3
      30   1   8.463     .   23.1299400330    .   .   .   .   .   .   .   .   .   .   .   18225   3
      30   2   56.244    .   64.5841212546    .   .   .   .   .   .   .   .   .   .   .   18225   3
      30   3   109.602   .   39.4833574004    .   .   .   .   .   .   .   .   .   .   .   18225   3
      31   1   8.463     .   23.3726501465    .   .   .   .   .   .   .   .   .   .   .   18225   3
      31   2   45.508    .   60.4373643381    .   .   .   .   .   .   .   .   .   .   .   18225   3
      31   3   109.622   .   41.1783914157    .   .   .   .   .   .   .   .   .   .   .   18225   3
      32   1   8.293     .   21.6076374054    .   .   .   .   .   .   .   .   .   .   .   18225   3
      32   2   56.639    .   63.9420884258    .   .   .   .   .   .   .   .   .   .   .   18225   3
      32   3   119.713   .   40.8734492358    .   .   .   .   .   .   .   .   .   .   .   18225   3
      33   1   8.339     .   98.2933044434    .   .   .   .   .   .   .   .   .   .   .   18225   3
      33   2   45.063    .   72.5967808318    .   .   .   .   .   .   .   .   .   .   .   18225   3
      33   3   109.537   .   41.2707571640    .   .   .   .   .   .   .   .   .   .   .   18225   3
      34   1   8.541     .   28.7857055664    .   .   .   .   .   .   .   .   .   .   .   18225   3
      34   2   55.543    .   82.4949835411    .   .   .   .   .   .   .   .   .   .   .   18225   3
      34   3   120.412   .   42.4410472509    .   .   .   .   .   .   .   .   .   .   .   18225   3
      35   1   8.473     .   125.0739097600   .   .   .   .   .   .   .   .   .   .   .   18225   3
      35   2   54.069    .   93.2009230900    .   .   .   .   .   .   .   .   .   .   .   18225   3
      35   3   119.467   .   49.1956200564    .   .   .   .   .   .   .   .   .   .   .   18225   3
      36   1   8.080     .   25.7887840271    .   .   .   .   .   .   .   .   .   .   .   18225   3
      36   2   66.568    .   85.6271263730    .   .   .   .   .   .   .   .   .   .   .   18225   3
      36   3   113.258   .   45.3247937988    .   .   .   .   .   .   .   .   .   .   .   18225   3
      37   1   8.203     .   24.7225761414    .   .   .   .   .   .   .   .   .   .   .   18225   3
      37   2   59.077    .   77.8766161581    .   .   .   .   .   .   .   .   .   .   .   18225   3
      37   3   118.643   .   42.4178501805    .   .   .   .   .   .   .   .   .   .   .   18225   3
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      38   2   53.645    .   69.7929566250    .   .   .   .   .   .   .   .   .   .   .   18225   3
      38   3   118.441   .   42.8889323980    .   .   .   .   .   .   .   .   .   .   .   18225   3
      39   1   8.343     .   28.6824703217    .   .   .   .   .   .   .   .   .   .   .   18225   3
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      40   2   54.578    .   71.0761235490    .   .   .   .   .   .   .   .   .   .   .   18225   3
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      41   3   117.801   .   46.8259273481    .   .   .   .   .   .   .   .   .   .   .   18225   3
      42   1   8.567     .   24.9724388123    .   .   .   .   .   .   .   .   .   .   .   18225   3
      42   2   45.493    .   67.5775782550    .   .   .   .   .   .   .   .   .   .   .   18225   3
      42   3   110.351   .   58.3389840689    .   .   .   .   .   .   .   .   .   .   .   18225   3
      43   1   7.864     .   28.3865928650    .   .   .   .   .   .   .   .   .   .   .   18225   3
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      43   3   108.614   .   41.3245033817    .   .   .   .   .   .   .   .   .   .   .   18225   3
      44   1   7.861     .   26.0469913483    .   .   .   .   .   .   .   .   .   .   .   18225   3
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      52   2   53.270    .   71.1442026207    .   .   .   .   .   .   .   .   .   .   .   18225   3
      52   3   121.673   .   44.9096549713    .   .   .   .   .   .   .   .   .   .   .   18225   3
      53   1   8.545     .   26.0686874390    .   .   .   .   .   .   .   .   .   .   .   18225   3
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      71   1   7.972     .   22.7892398834    .   .   .   .   .   .   .   .   .   .   .   18225   3
      71   2   56.553    .   79.9612287866    .   .   .   .   .   .   .   .   .   .   .   18225   3
      71   3   118.988   .   44.5823185341    .   .   .   .   .   .   .   .   .   .   .   18225   3
      72   1   7.977     .   24.7015953064    .   .   .   .   .   .   .   .   .   .   .   18225   3
      72   2   58.807    .   87.0608873490    .   .   .   .   .   .   .   .   .   .   .   18225   3
      72   3   118.490   .   45.1509636577    .   .   .   .   .   .   .   .   .   .   .   18225   3
      73   1   7.874     .   27.2524356842    .   .   .   .   .   .   .   .   .   .   .   18225   3
      73   2   58.286    .   64.0265693859    .   .   .   .   .   .   .   .   .   .   .   18225   3
      73   3   117.274   .   73.0226028450    .   .   .   .   .   .   .   .   .   .   .   18225   3
      74   1   7.809     .   73.9805698395    .   .   .   .   .   .   .   .   .   .   .   18225   3
      74   2   57.828    .   87.1228999687    .   .   .   .   .   .   .   .   .   .   .   18225   3
      74   3   119.317   .   77.5792426708    .   .   .   .   .   .   .   .   .   .   .   18225   3
      75   1   8.254     .   29.3025970459    .   .   .   .   .   .   .   .   .   .   .   18225   3
      75   2   46.422    .   94.0816820363    .   .   .   .   .   .   .   .   .   .   .   18225   3
      75   3   109.531   .   32.1371114141    .   .   .   .   .   .   .   .   .   .   .   18225   3
      76   1   7.958     .   53.9293289185    .   .   .   .   .   .   .   .   .   .   .   18225   3
      76   2   66.021    .   85.3750315929    .   .   .   .   .   .   .   .   .   .   .   18225   3
      76   3   120.013   .   39.3562594265    .   .   .   .   .   .   .   .   .   .   .   18225   3
      77   1   8.256     .   49.3745803833    .   .   .   .   .   .   .   .   .   .   .   18225   3
      77   2   54.610    .   85.1037825526    .   .   .   .   .   .   .   .   .   .   .   18225   3
      77   3   118.930   .   59.8411739511    .   .   .   .   .   .   .   .   .   .   .   18225   3
      78   1   8.251     .   42.8452491760    .   .   .   .   .   .   .   .   .   .   .   18225   3
      78   2   58.567    .   83.9316092305    .   .   .   .   .   .   .   .   .   .   .   18225   3
      78   3   117.300   .   43.8241250359    .   .   .   .   .   .   .   .   .   .   .   18225   3
      79   1   8.346     .   27.1680355072    .   .   .   .   .   .   .   .   .   .   .   18225   3
      79   2   61.599    .   89.5692528787    .   .   .   .   .   .   .   .   .   .   .   18225   3
      79   3   118.670   .   33.0908532577    .   .   .   .   .   .   .   .   .   .   .   18225   3
      80   1   8.034     .   62.8762245178    .   .   .   .   .   .   .   .   .   .   .   18225   3
      80   2   60.492    .   106.1718960410   .   .   .   .   .   .   .   .   .   .   .   18225   3
      80   3   118.220   .   46.2743948174    .   .   .   .   .   .   .   .   .   .   .   18225   3
      81   1   8.257     .   26.7593860626    .   .   .   .   .   .   .   .   .   .   .   18225   3
      81   2   65.094    .   96.7811408017    .   .   .   .   .   .   .   .   .   .   .   18225   3
      81   3   117.755   .   37.3167341277    .   .   .   .   .   .   .   .   .   .   .   18225   3
      82   1   8.303     .   49.9475002289    .   .   .   .   .   .   .   .   .   .   .   18225   3
      82   2   58.589    .   96.8401201954    .   .   .   .   .   .   .   .   .   .   .   18225   3
      82   3   119.989   .   45.6477781445    .   .   .   .   .   .   .   .   .   .   .   18225   3
      83   1   8.333     .   18.9530849457    .   .   .   .   .   .   .   .   .   .   .   18225   3
      83   2   61.502    .   82.8858203235    .   .   .   .   .   .   .   .   .   .   .   18225   3
      83   3   119.820   .   21.6710073515    .   .   .   .   .   .   .   .   .   .   .   18225   3
      84   1   8.602     .   18.7919139862    .   .   .   .   .   .   .   .   .   .   .   18225   3
      84   2   57.845    .   112.4941500240   .   .   .   .   .   .   .   .   .   .   .   18225   3
      84   3   120.116   .   28.7162829695    .   .   .   .   .   .   .   .   .   .   .   18225   3
      85   1   8.147     .   24.0154266357    .   .   .   .   .   .   .   .   .   .   .   18225   3
      85   2   57.578    .   80.4892347876    .   .   .   .   .   .   .   .   .   .   .   18225   3
      85   3   120.531   .   32.1636464964    .   .   .   .   .   .   .   .   .   .   .   18225   3
   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   .   .   7.897     .   .   1   .   1   1   10   TYR   H    .   .   .   .   .   .   .   .   .   .   3     .   18225   3
      1    2   2   .   .   59.199    .   .   1   .   1   1   10   TYR   CA   .   .   .   .   .   .   .   .   .   .   226   .   18225   3
      1    3   1   .   .   118.996   .   .   1   .   1   1   10   TYR   N    .   .   .   .   .   .   .   .   .   .   4     .   18225   3
      2    1   1   .   .   7.901     .   .   1   .   1   1   10   TYR   H    .   .   .   .   .   .   .   .   .   .   3     .   18225   3
      2    2   2   .   .   53.789    .   .   1   .   1   1   9    ASN   CA   .   .   .   .   .   .   .   .   .   .   230   .   18225   3
      2    3   1   .   .   118.991   .   .   1   .   1   1   10   TYR   N    .   .   .   .   .   .   .   .   .   .   4     .   18225   3
      3    1   1   .   .   7.895     .   .   1   .   1   1   26   SER   H    .   .   .   .   .   .   .   .   .   .   5     .   18225   3
      3    2   1   .   .   58.748    .   .   1   .   1   1   26   SER   CA   .   .   .   .   .   .   .   .   .   .   215   .   18225   3
      3    3   1   .   .   113.826   .   .   1   .   1   1   26   SER   N    .   .   .   .   .   .   .   .   .   .   6     .   18225   3
      4    1   1   .   .   8.222     .   .   1   .   1   1   5    GLY   H    .   .   .   .   .   .   .   .   .   .   7     .   18225   3
      4    2   2   .   .   45.474    .   .   1   .   1   1   5    GLY   CA   .   .   .   .   .   .   .   .   .   .   231   .   18225   3
      4    3   1   .   .   108.237   .   .   1   .   1   1   5    GLY   N    .   .   .   .   .   .   .   .   .   .   8     .   18225   3
      5    1   1   .   .   7.801     .   .   1   .   1   1   56   LYS   H    .   .   .   .   .   .   .   .   .   .   13    .   18225   3
      5    2   4   .   .   57.520    .   .   1   .   1   1   56   LYS   CA   .   .   .   .   .   .   .   .   .   .   210   .   18225   3
      5    3   1   .   .   118.698   .   .   1   .   1   1   56   LYS   N    .   .   .   .   .   .   .   .   .   .   14    .   18225   3
      6    1   1   .   .   8.223     .   .   1   .   1   1   17   SER   H    .   .   .   .   .   .   .   .   .   .   15    .   18225   3
      6    2   1   .   .   59.193    .   .   1   .   1   1   17   SER   CA   .   .   .   .   .   .   .   .   .   .   229   .   18225   3
      6    3   1   .   .   115.741   .   .   1   .   1   1   17   SER   N    .   .   .   .   .   .   .   .   .   .   16    .   18225   3
      7    1   1   .   .   8.221     .   .   1   .   1   1   17   SER   H    .   .   .   .   .   .   .   .   .   .   15    .   18225   3
      7    2   2   .   .   56.621    .   .   1   .   1   1   16   GLN   CA   .   .   .   .   .   .   .   .   .   .   209   .   18225   3
      7    3   1   .   .   115.746   .   .   1   .   1   1   17   SER   N    .   .   .   .   .   .   .   .   .   .   16    .   18225   3
      8    1   1   .   .   8.285     .   .   1   .   1   1   42   GLY   H    .   .   .   .   .   .   .   .   .   .   17    .   18225   3
      8    2   2   .   .   46.425    .   .   1   .   1   1   42   GLY   CA   .   .   .   .   .   .   .   .   .   .   208   .   18225   3
      8    3   1   .   .   105.229   .   .   1   .   1   1   42   GLY   N    .   .   .   .   .   .   .   .   .   .   18    .   18225   3
      9    1   1   .   .   8.117     .   .   1   .   1   1   51   TRP   H    .   .   .   .   .   .   .   .   .   .   19    .   18225   3
      9    2   1   .   .   60.121    .   .   1   .   1   1   51   TRP   CA   .   .   .   .   .   .   .   .   .   .   128   .   18225   3
      9    3   1   .   .   118.295   .   .   1   .   1   1   51   TRP   N    .   .   .   .   .   .   .   .   .   .   20    .   18225   3
      10   1   1   .   .   8.505     .   .   1   .   1   1   60   HIS   H    .   .   .   .   .   .   .   .   .   .   66    .   18225   3
      10   2   1   .   .   55.328    .   .   1   .   1   1   60   HIS   CA   .   .   .   .   .   .   .   .   .   .   138   .   18225   3
      10   3   1   .   .   118.837   .   .   1   .   1   1   60   HIS   N    .   .   .   .   .   .   .   .   .   .   67    .   18225   3
      11   1   1   .   .   7.983     .   .   1   .   1   1   13   ALA   H    .   .   .   .   .   .   .   .   .   .   21    .   18225   3
      11   2   1   .   .   52.758    .   .   1   .   1   1   13   ALA   CA   .   .   .   .   .   .   .   .   .   .   228   .   18225   3
      11   3   1   .   .   122.932   .   .   1   .   1   1   13   ALA   N    .   .   .   .   .   .   .   .   .   .   22    .   18225   3
      12   1   1   .   .   7.987     .   .   1   .   1   1   13   ALA   H    .   .   .   .   .   .   .   .   .   .   21    .   18225   3
      12   2   2   .   .   45.452    .   .   1   .   1   1   12   GLY   CA   .   .   .   .   .   .   .   .   .   .   211   .   18225   3
      12   3   1   .   .   122.958   .   .   1   .   1   1   13   ALA   N    .   .   .   .   .   .   .   .   .   .   22    .   18225   3
      13   1   1   .   .   8.135     .   .   1   .   1   1   58   GLY   H    .   .   .   .   .   .   .   .   .   .   23    .   18225   3
      13   2   2   .   .   56.528    .   .   1   .   1   1   57   LYS   CA   .   .   .   .   .   .   .   .   .   .   212   .   18225   3
      13   3   1   .   .   107.792   .   .   1   .   1   1   58   GLY   N    .   .   .   .   .   .   .   .   .   .   24    .   18225   3
      14   1   1   .   .   8.139     .   .   1   .   1   1   58   GLY   H    .   .   .   .   .   .   .   .   .   .   23    .   18225   3
      14   2   1   .   .   45.459    .   .   1   .   1   1   58   GLY   CA   .   .   .   .   .   .   .   .   .   .   221   .   18225   3
      14   3   1   .   .   107.799   .   .   1   .   1   1   58   GLY   N    .   .   .   .   .   .   .   .   .   .   24    .   18225   3
      15   1   1   .   .   8.414     .   .   1   .   1   1   38   VAL   H    .   .   .   .   .   .   .   .   .   .   40    .   18225   3
      15   2   1   .   .   67.105    .   .   1   .   1   1   38   VAL   CA   .   .   .   .   .   .   .   .   .   .   316   .   18225   3
      15   3   1   .   .   118.001   .   .   1   .   1   1   38   VAL   N    .   .   .   .   .   .   .   .   .   .   41    .   18225   3
      16   1   1   .   .   8.394     .   .   1   .   .   .   .    .     .    .   .   .   .   .   .   .   .   .   .   25    .   18225   3
      16   2   1   .   .   55.019    .   .   1   .   .   .   .    .     .    .   .   .   .   .   .   .   .   .   .   129   .   18225   3
      16   3   1   .   .   117.540   .   .   1   .   .   .   .    .     .    .   .   .   .   .   .   .   .   .   .   26    .   18225   3
      17   1   1   .   .   8.389     .   .   1   .   .   .   .    .     .    .   .   .   .   .   .   .   .   .   .   25    .   18225   3
      17   2   1   .   .   45.008    .   .   1   .   .   .   .    .     .    .   .   .   .   .   .   .   .   .   .   130   .   18225   3
      17   3   1   .   .   117.533   .   .   1   .   .   .   .    .     .    .   .   .   .   .   .   .   .   .   .   26    .   18225   3
      18   1   1   .   .   8.265     .   .   1   .   1   1   31   ILE   H    .   .   .   .   .   .   .   .   .   .   27    .   18225   3
      18   2   1   .   .   66.285    .   .   1   .   1   1   31   ILE   CA   .   .   .   .   .   .   .   .   .   .   131   .   18225   3
      18   3   1   .   .   116.491   .   .   1   .   1   1   31   ILE   N    .   .   .   .   .   .   .   .   .   .   28    .   18225   3
      19   1   1   .   .   8.337     .   .   1   .   1   1   64   HIS   H    .   .   .   .   .   .   .   .   .   .   29    .   18225   3
      19   2   1   .   .   57.120    .   .   1   .   1   1   64   HIS   CA   .   .   .   .   .   .   .   .   .   .   132   .   18225   3
      19   3   1   .   .   125.300   .   .   1   .   1   1   64   HIS   N    .   .   .   .   .   .   .   .   .   .   30    .   18225   3
      20   1   1   .   .   8.338     .   .   1   .   1   1   64   HIS   H    .   .   .   .   .   .   .   .   .   .   29    .   18225   3
      20   2   2   .   .   55.526    .   .   1   .   1   1   63   HIS   CA   .   .   .   .   .   .   .   .   .   .   214   .   18225   3
      20   3   1   .   .   125.288   .   .   1   .   1   1   64   HIS   N    .   .   .   .   .   .   .   .   .   .   30    .   18225   3
      21   1   1   .   .   8.112     .   .   1   .   1   1   23   ASP   H    .   .   .   .   .   .   .   .   .   .   31    .   18225   3
      21   2   2   .   .   63.203    .   .   1   .   1   1   22   THR   CA   .   .   .   .   .   .   .   .   .   .   134   .   18225   3
      21   3   1   .   .   120.465   .   .   1   .   1   1   23   ASP   N    .   .   .   .   .   .   .   .   .   .   32    .   18225   3
      22   1   1   .   .   8.112     .   .   1   .   1   1   23   ASP   H    .   .   .   .   .   .   .   .   .   .   31    .   18225   3
      22   2   1   .   .   53.878    .   .   1   .   1   1   23   ASP   CA   .   .   .   .   .   .   .   .   .   .   133   .   18225   3
      22   3   1   .   .   120.546   .   .   1   .   1   1   23   ASP   N    .   .   .   .   .   .   .   .   .   .   32    .   18225   3
      23   1   1   .   .   7.744     .   .   1   .   1   1   22   THR   H    .   .   .   .   .   .   .   .   .   .   33    .   18225   3
      23   2   1   .   .   63.170    .   .   1   .   1   1   22   THR   CA   .   .   .   .   .   .   .   .   .   .   134   .   18225   3
      23   3   1   .   .   112.152   .   .   1   .   1   1   22   THR   N    .   .   .   .   .   .   .   .   .   .   34    .   18225   3
      24   1   1   .   .   8.162     .   .   1   .   1   1   59   HIS   H    .   .   .   .   .   .   .   .   .   .   74    .   18225   3
      24   2   1   .   .   55.219    .   .   1   .   1   1   59   HIS   CA   .   .   .   .   .   .   .   .   .   .   142   .   18225   3
      24   3   1   .   .   117.018   .   .   1   .   1   1   59   HIS   N    .   .   .   .   .   .   .   .   .   .   75    .   18225   3
      25   1   1   .   .   8.162     .   .   1   .   1   1   59   HIS   H    .   .   .   .   .   .   .   .   .   .   74    .   18225   3
      25   2   2   .   .   45.451    .   .   1   .   1   1   58   GLY   CA   .   .   .   .   .   .   .   .   .   .   221   .   18225   3
      25   3   1   .   .   116.986   .   .   1   .   1   1   59   HIS   N    .   .   .   .   .   .   .   .   .   .   75    .   18225   3
      26   1   1   .   .   8.141     .   .   1   .   1   1   27   SER   H    .   .   .   .   .   .   .   .   .   .   38    .   18225   3
      26   2   1   .   .   59.882    .   .   1   .   1   1   27   SER   CA   .   .   .   .   .   .   .   .   .   .   225   .   18225   3
      26   3   1   .   .   116.646   .   .   1   .   1   1   27   SER   N    .   .   .   .   .   .   .   .   .   .   39    .   18225   3
      27   1   1   .   .   7.874     .   .   1   .   1   1   25   LYS   H    .   .   .   .   .   .   .   .   .   .   42    .   18225   3
      27   2   1   .   .   57.770    .   .   1   .   1   1   25   LYS   CA   .   .   .   .   .   .   .   .   .   .   135   .   18225   3
      27   3   1   .   .   119.461   .   .   1   .   1   1   25   LYS   N    .   .   .   .   .   .   .   .   .   .   43    .   18225   3
      28   1   1   .   .   8.036     .   .   1   .   1   1   55   ARG   H    .   .   .   .   .   .   .   .   .   .   44    .   18225   3
      28   2   3   .   .   57.617    .   .   1   .   1   1   55   ARG   CA   .   .   .   .   .   .   .   .   .   .   301   .   18225   3
      28   3   1   .   .   117.766   .   .   1   .   1   1   55   ARG   N    .   .   .   .   .   .   .   .   .   .   45    .   18225   3
      29   1   1   .   .   8.684     .   .   1   .   1   1   62   HIS   H    .   .   .   .   .   .   .   .   .   .   46    .   18225   3
      29   2   2   .   .   55.338    .   .   1   .   1   1   62   HIS   CA   .   .   .   .   .   .   .   .   .   .   219   .   18225   3
      29   3   1   .   .   120.345   .   .   1   .   1   1   62   HIS   N    .   .   .   .   .   .   .   .   .   .   47    .   18225   3
      30   1   1   .   .   8.463     .   .   1   .   1   1   4    GLY   H    .   .   .   .   .   .   .   .   .   .   50    .   18225   3
      30   2   2   .   .   56.244    .   .   1   .   1   1   3    GLU   CA   .   .   .   .   .   .   .   .   .   .   217   .   18225   3
      30   3   1   .   .   109.602   .   .   1   .   1   1   4    GLY   N    .   .   .   .   .   .   .   .   .   .   51    .   18225   3
      31   1   1   .   .   8.463     .   .   1   .   1   1   4    GLY   H    .   .   .   .   .   .   .   .   .   .   50    .   18225   3
      31   2   1   .   .   45.508    .   .   1   .   1   1   4    GLY   CA   .   .   .   .   .   .   .   .   .   .   207   .   18225   3
      31   3   1   .   .   109.622   .   .   1   .   1   1   4    GLY   N    .   .   .   .   .   .   .   .   .   .   51    .   18225   3
      32   1   1   .   .   8.293     .   .   1   .   1   1   16   GLN   H    .   .   .   .   .   .   .   .   .   .   54    .   18225   3
      32   2   1   .   .   56.639    .   .   1   .   1   1   16   GLN   CA   .   .   .   .   .   .   .   .   .   .   209   .   18225   3
      32   3   1   .   .   119.713   .   .   1   .   1   1   16   GLN   N    .   .   .   .   .   .   .   .   .   .   55    .   18225   3
      33   1   1   .   .   8.339     .   .   1   .   .   .   .    .     .    .   .   .   .   .   .   .   .   .   .   56    .   18225   3
      33   2   1   .   .   45.063    .   .   1   .   .   .   .    .     .    .   .   .   .   .   .   .   .   .   .   136   .   18225   3
      33   3   1   .   .   109.537   .   .   1   .   .   .   .    .     .    .   .   .   .   .   .   .   .   .   .   57    .   18225   3
      34   1   1   .   .   8.541     .   .   1   .   1   1   63   HIS   H    .   .   .   .   .   .   .   .   .   .   59    .   18225   3
      34   2   2   .   .   55.543    .   .   1   .   1   1   63   HIS   CA   .   .   .   .   .   .   .   .   .   .   214   .   18225   3
      34   3   1   .   .   120.412   .   .   1   .   1   1   63   HIS   N    .   .   .   .   .   .   .   .   .   .   60    .   18225   3
      35   1   1   .   .   8.473     .   .   1   .   .   .   .    .     .    .   .   .   .   .   .   .   .   .   .   63    .   18225   3
      35   2   1   .   .   54.069    .   .   1   .   .   .   .    .     .    .   .   .   .   .   .   .   .   .   .   137   .   18225   3
      35   3   1   .   .   119.467   .   .   1   .   .   .   .    .     .    .   .   .   .   .   .   .   .   .   .   64    .   18225   3
      36   1   1   .   .   8.080     .   .   1   .   1   1   52   THR   H    .   .   .   .   .   .   .   .   .   .   68    .   18225   3
      36   2   1   .   .   66.568    .   .   1   .   1   1   52   THR   CA   .   .   .   .   .   .   .   .   .   .   139   .   18225   3
      36   3   1   .   .   113.258   .   .   1   .   1   1   52   THR   N    .   .   .   .   .   .   .   .   .   .   69    .   18225   3
      37   1   2   .   .   8.203     .   .   1   .   1   1   19   CYS   H    .   .   .   .   .   .   .   .   .   .   288   .   18225   3
      37   2   1   .   .   59.077    .   .   1   .   1   1   19   CYS   CA   .   .   .   .   .   .   .   .   .   .   140   .   18225   3
      37   3   2   .   .   118.643   .   .   1   .   1   1   19   CYS   N    .   .   .   .   .   .   .   .   .   .   289   .   18225   3
      38   1   1   .   .   8.206     .   .   1   .   1   1   15   ASN   H    .   .   .   .   .   .   .   .   .   .   70    .   18225   3
      38   2   1   .   .   53.645    .   .   1   .   1   1   15   ASN   CA   .   .   .   .   .   .   .   .   .   .   141   .   18225   3
      38   3   1   .   .   118.441   .   .   1   .   1   1   15   ASN   N    .   .   .   .   .   .   .   .   .   .   71    .   18225   3
      39   1   1   .   .   8.343     .   .   1   .   1   1   7    PHE   H    .   .   .   .   .   .   .   .   .   .   72    .   18225   3
      39   2   1   .   .   58.821    .   .   1   .   1   1   7    PHE   CA   .   .   .   .   .   .   .   .   .   .   244   .   18225   3
      39   3   1   .   .   119.602   .   .   1   .   1   1   7    PHE   N    .   .   .   .   .   .   .   .   .   .   73    .   18225   3
      40   1   1   .   .   8.175     .   .   1   .   1   1   46   ASN   H    .   .   .   .   .   .   .   .   .   .   78    .   18225   3
      40   2   1   .   .   54.578    .   .   1   .   1   1   46   ASN   CA   .   .   .   .   .   .   .   .   .   .   143   .   18225   3
      40   3   1   .   .   117.801   .   .   1   .   1   1   46   ASN   N    .   .   .   .   .   .   .   .   .   .   79    .   18225   3
      41   1   1   .   .   8.176     .   .   1   .   1   1   46   ASN   H    .   .   .   .   .   .   .   .   .   .   78    .   18225   3
      41   2   2   .   .   46.512    .   .   1   .   1   1   45   GLY   CA   .   .   .   .   .   .   .   .   .   .   300   .   18225   3
      41   3   1   .   .   117.801   .   .   1   .   1   1   46   ASN   N    .   .   .   .   .   .   .   .   .   .   79    .   18225   3
      42   1   1   .   .   8.567     .   .   1   .   .   .   .    .     .    .   .   .   .   .   .   .   .   .   .   80    .   18225   3
      42   2   1   .   .   45.493    .   .   1   .   .   .   .    .     .    .   .   .   .   .   .   .   .   .   .   144   .   18225   3
      42   3   1   .   .   110.351   .   .   1   .   .   .   .    .     .    .   .   .   .   .   .   .   .   .   .   81    .   18225   3
      43   1   1   .   .   7.864     .   .   1   .   1   1   12   GLY   H    .   .   .   .   .   .   .   .   .   .   82    .   18225   3
      43   2   1   .   .   58.309    .   .   1   .   1   1   11   TYR   CA   .   .   .   .   .   .   .   .   .   .   147   .   18225   3
      43   3   1   .   .   108.614   .   .   1   .   1   1   12   GLY   N    .   .   .   .   .   .   .   .   .   .   83    .   18225   3
      44   1   1   .   .   7.861     .   .   1   .   1   1   12   GLY   H    .   .   .   .   .   .   .   .   .   .   82    .   18225   3
      44   2   1   .   .   45.471    .   .   1   .   1   1   12   GLY   CA   .   .   .   .   .   .   .   .   .   .   211   .   18225   3
      44   3   1   .   .   108.617   .   .   1   .   1   1   12   GLY   N    .   .   .   .   .   .   .   .   .   .   83    .   18225   3
      45   1   1   .   .   8.824     .   .   1   .   1   1   2    GLU   H    .   .   .   .   .   .   .   .   .   .   84    .   18225   3
      45   2   1   .   .   56.182    .   .   1   .   1   1   2    GLU   CA   .   .   .   .   .   .   .   .   .   .   347   .   18225   3
      45   3   1   .   .   123.469   .   .   1   .   1   1   2    GLU   N    .   .   .   .   .   .   .   .   .   .   85    .   18225   3
      46   1   1   .   .   8.826     .   .   1   .   1   1   2    GLU   H    .   .   .   .   .   .   .   .   .   .   84    .   18225   3
      46   2   2   .   .   55.203    .   .   1   .   1   1   1    MET   CA   .   .   .   .   .   .   .   .   .   .   224   .   18225   3
      46   3   1   .   .   123.454   .   .   1   .   1   1   2    GLU   N    .   .   .   .   .   .   .   .   .   .   85    .   18225   3
      47   1   1   .   .   8.615     .   .   1   .   1   1   61   HIS   H    .   .   .   .   .   .   .   .   .   .   88    .   18225   3
      47   2   1   .   .   55.312    .   .   1   .   1   1   61   HIS   CA   .   .   .   .   .   .   .   .   .   .   145   .   18225   3
      47   3   1   .   .   119.645   .   .   1   .   1   1   61   HIS   N    .   .   .   .   .   .   .   .   .   .   89    .   18225   3
      48   1   1   .   .   7.262     .   .   1   .   1   1   55   ARG   HE   .   .   .   .   .   .   .   .   .   .   92    .   18225   3
      48   2   2   .   .   43.065    .   .   1   .   1   1   55   ARG   CD   .   .   .   .   .   .   .   .   .   .   569   .   18225   3
      48   3   1   .   .   84.657    .   .   1   .   1   1   55   ARG   NE   .   .   .   .   .   .   .   .   .   .   93    .   18225   3
      49   1   1   .   .   8.477     .   .   1   .   1   1   28   GLY   H    .   .   .   .   .   .   .   .   .   .   94    .   18225   3
      49   2   1   .   .   46.119    .   .   1   .   1   1   28   GLY   CA   .   .   .   .   .   .   .   .   .   .   227   .   18225   3
      49   3   1   .   .   110.789   .   .   1   .   1   1   28   GLY   N    .   .   .   .   .   .   .   .   .   .   95    .   18225   3
      50   1   1   .   .   7.880     .   .   1   .   1   1   11   TYR   H    .   .   .   .   .   .   .   .   .   .   96    .   18225   3
      50   2   2   .   .   58.345    .   .   1   .   1   1   11   TYR   CA   .   .   .   .   .   .   .   .   .   .   147   .   18225   3
      50   3   1   .   .   117.908   .   .   1   .   1   1   11   TYR   N    .   .   .   .   .   .   .   .   .   .   97    .   18225   3
      51   1   1   .   .   7.608     .   .   1   .   1   1   33   ALA   H    .   .   .   .   .   .   .   .   .   .   98    .   18225   3
      51   2   1   .   .   55.749    .   .   1   .   1   1   33   ALA   CA   .   .   .   .   .   .   .   .   .   .   148   .   18225   3
      51   3   1   .   .   118.251   .   .   1   .   1   1   33   ALA   N    .   .   .   .   .   .   .   .   .   .   99    .   18225   3
      52   1   1   .   .   8.192     .   .   1   .   1   1   29   ALA   H    .   .   .   .   .   .   .   .   .   .   102   .   18225   3
      52   2   1   .   .   53.270    .   .   1   .   1   1   29   ALA   CA   .   .   .   .   .   .   .   .   .   .   149   .   18225   3
      52   3   1   .   .   121.673   .   .   1   .   1   1   29   ALA   N    .   .   .   .   .   .   .   .   .   .   103   .   18225   3
      53   1   1   .   .   8.545     .   .   1   .   1   1   3    GLU   H    .   .   .   .   .   .   .   .   .   .   104   .   18225   3
      53   2   1   .   .   56.212    .   .   1   .   1   1   3    GLU   CA   .   .   .   .   .   .   .   .   .   .   217   .   18225   3
      53   3   1   .   .   121.813   .   .   1   .   1   1   3    GLU   N    .   .   .   .   .   .   .   .   .   .   105   .   18225   3
      54   1   1   .   .   8.668     .   .   1   .   1   1   47   GLY   H    .   .   .   .   .   .   .   .   .   .   106   .   18225   3
      54   2   1   .   .   47.285    .   .   1   .   1   1   47   GLY   CA   .   .   .   .   .   .   .   .   .   .   150   .   18225   3
      54   3   1   .   .   108.258   .   .   1   .   1   1   47   GLY   N    .   .   .   .   .   .   .   .   .   .   107   .   18225   3
      55   1   1   .   .   7.913     .   .   1   .   1   1   53   VAL   H    .   .   .   .   .   .   .   .   .   .   110   .   18225   3
      55   2   3   .   .   66.161    .   .   1   .   1   1   53   VAL   CA   .   .   .   .   .   .   .   .   .   .   306   .   18225   3
      55   3   1   .   .   119.933   .   .   1   .   1   1   53   VAL   N    .   .   .   .   .   .   .   .   .   .   111   .   18225   3
      56   1   1   .   .   8.328     .   .   1   .   1   1   14   ASP   H    .   .   .   .   .   .   .   .   .   .   112   .   18225   3
      56   2   1   .   .   53.647    .   .   1   .   1   1   14   ASP   CA   .   .   .   .   .   .   .   .   .   .   151   .   18225   3
      56   3   1   .   .   117.390   .   .   1   .   1   1   14   ASP   N    .   .   .   .   .   .   .   .   .   .   113   .   18225   3
      57   1   1   .   .   8.329     .   .   1   .   1   1   6    ASP   H    .   .   .   .   .   .   .   .   .   .   114   .   18225   3
      57   2   2   .   .   45.454    .   .   1   .   1   1   5    GLY   CA   .   .   .   .   .   .   .   .   .   .   231   .   18225   3
      57   3   1   .   .   119.151   .   .   1   .   1   1   6    ASP   N    .   .   .   .   .   .   .   .   .   .   115   .   18225   3
      58   1   1   .   .   8.346     .   .   1   .   1   1   20   GLU   H    .   .   .   .   .   .   .   .   .   .   116   .   18225   3
      58   2   2   .   .   59.010    .   .   1   .   1   1   19   CYS   CA   .   .   .   .   .   .   .   .   .   .   140   .   18225   3
      58   3   1   .   .   121.841   .   .   1   .   1   1   20   GLU   N    .   .   .   .   .   .   .   .   .   .   117   .   18225   3
      59   1   1   .   .   8.350     .   .   1   .   1   1   20   GLU   H    .   .   .   .   .   .   .   .   .   .   116   .   18225   3
      59   2   1   .   .   56.845    .   .   1   .   1   1   20   GLU   CA   .   .   .   .   .   .   .   .   .   .   152   .   18225   3
      59   3   1   .   .   121.843   .   .   1   .   1   1   20   GLU   N    .   .   .   .   .   .   .   .   .   .   117   .   18225   3
      60   1   1   .   .   8.287     .   .   1   .   1   1   18   GLU   H    .   .   .   .   .   .   .   .   .   .   118   .   18225   3
      60   2   2   .   .   59.174    .   .   1   .   1   1   17   SER   CA   .   .   .   .   .   .   .   .   .   .   229   .   18225   3
      60   3   1   .   .   121.203   .   .   1   .   1   1   18   GLU   N    .   .   .   .   .   .   .   .   .   .   119   .   18225   3
      61   1   1   .   .   8.286     .   .   1   .   1   1   18   GLU   H    .   .   .   .   .   .   .   .   .   .   118   .   18225   3
      61   2   1   .   .   56.656    .   .   1   .   1   1   18   GLU   CA   .   .   .   .   .   .   .   .   .   .   153   .   18225   3
      61   3   1   .   .   121.239   .   .   1   .   1   1   18   GLU   N    .   .   .   .   .   .   .   .   .   .   119   .   18225   3
      62   1   1   .   .   8.069     .   .   1   .   1   1   9    ASN   H    .   .   .   .   .   .   .   .   .   .   122   .   18225   3
      62   2   1   .   .   54.562    .   .   1   .   1   1   8    ASP   CA   .   .   .   .   .   .   .   .   .   .   154   .   18225   3
      62   3   1   .   .   117.097   .   .   1   .   1   1   9    ASN   N    .   .   .   .   .   .   .   .   .   .   123   .   18225   3
      63   1   1   .   .   8.069     .   .   1   .   1   1   9    ASN   H    .   .   .   .   .   .   .   .   .   .   122   .   18225   3
      63   2   1   .   .   53.835    .   .   1   .   1   1   9    ASN   CA   .   .   .   .   .   .   .   .   .   .   230   .   18225   3
      63   3   1   .   .   117.088   .   .   1   .   1   1   9    ASN   N    .   .   .   .   .   .   .   .   .   .   123   .   18225   3
      64   1   1   .   .   8.036     .   .   1   .   1   1   24   TRP   H    .   .   .   .   .   .   .   .   .   .   124   .   18225   3
      64   2   1   .   .   58.353    .   .   1   .   1   1   24   TRP   CA   .   .   .   .   .   .   .   .   .   .   155   .   18225   3
      64   3   1   .   .   121.484   .   .   1   .   1   1   24   TRP   N    .   .   .   .   .   .   .   .   .   .   125   .   18225   3
      65   1   1   .   .   7.812     .   .   1   .   1   1   50   LEU   H    .   .   .   .   .   .   .   .   .   .   126   .   18225   3
      65   2   2   .   .   65.823    .   .   1   .   1   1   49   VAL   CA   .   .   .   .   .   .   .   .   .   .   222   .   18225   3
      65   3   1   .   .   119.288   .   .   1   .   1   1   50   LEU   N    .   .   .   .   .   .   .   .   .   .   127   .   18225   3
      66   1   1   .   .   7.889     .   .   1   .   1   1   43   THR   H    .   .   .   .   .   .   .   .   .   .   9     .   18225   3
      66   2   1   .   .   63.479    .   .   1   .   1   1   43   THR   CA   .   .   .   .   .   .   .   .   .   .   239   .   18225   3
      66   3   1   .   .   111.960   .   .   1   .   1   1   43   THR   N    .   .   .   .   .   .   .   .   .   .   10    .   18225   3
      67   1   1   .   .   8.223     .   .   1   .   1   1   8    ASP   H    .   .   .   .   .   .   .   .   .   .   240   .   18225   3
      67   2   2   .   .   54.592    .   .   1   .   1   1   8    ASP   CA   .   .   .   .   .   .   .   .   .   .   154   .   18225   3
      67   3   1   .   .   118.447   .   .   1   .   1   1   8    ASP   N    .   .   .   .   .   .   .   .   .   .   241   .   18225   3
      68   1   1   .   .   8.330     .   .   1   .   1   1   6    ASP   H    .   .   .   .   .   .   .   .   .   .   114   .   18225   3
      68   2   1   .   .   53.906    .   .   1   .   1   1   6    ASP   CA   .   .   .   .   .   .   .   .   .   .   271   .   18225   3
      68   3   1   .   .   119.229   .   .   1   .   1   1   6    ASP   N    .   .   .   .   .   .   .   .   .   .   115   .   18225   3
      69   1   1   .   .   8.223     .   .   1   .   1   1   8    ASP   H    .   .   .   .   .   .   .   .   .   .   240   .   18225   3
      69   2   1   .   .   58.853    .   .   1   .   1   1   7    PHE   CA   .   .   .   .   .   .   .   .   .   .   244   .   18225   3
      69   3   1   .   .   118.426   .   .   1   .   1   1   8    ASP   N    .   .   .   .   .   .   .   .   .   .   241   .   18225   3
      70   1   1   .   .   8.203     .   .   1   .   1   1   19   CYS   H    .   .   .   .   .   .   .   .   .   .   288   .   18225   3
      70   2   1   .   .   56.668    .   .   1   .   1   1   18   GLU   CA   .   .   .   .   .   .   .   .   .   .   153   .   18225   3
      70   3   1   .   .   118.687   .   .   1   .   1   1   19   CYS   N    .   .   .   .   .   .   .   .   .   .   289   .   18225   3
      71   1   1   .   .   7.972     .   .   1   .   1   1   57   LYS   H    .   .   .   .   .   .   .   .   .   .   90    .   18225   3
      71   2   1   .   .   56.553    .   .   1   .   1   1   57   LYS   CA   .   .   .   .   .   .   .   .   .   .   212   .   18225   3
      71   3   1   .   .   118.988   .   .   1   .   1   1   57   LYS   N    .   .   .   .   .   .   .   .   .   .   91    .   18225   3
      72   1   1   .   .   7.977     .   .   1   .   1   1   21   TYR   H    .   .   .   .   .   .   .   .   .   .   52    .   18225   3
      72   2   2   .   .   58.807    .   .   1   .   1   1   21   TYR   CA   .   .   .   .   .   .   .   .   .   .   292   .   18225   3
      72   3   1   .   .   118.490   .   .   1   .   1   1   21   TYR   N    .   .   .   .   .   .   .   .   .   .   53    .   18225   3
      73   1   1   .   .   7.874     .   .   1   .   1   1   30   LEU   H    .   .   .   .   .   .   .   .   .   .   86    .   18225   3
      73   2   1   .   .   58.286    .   .   1   .   1   1   30   LEU   CA   .   .   .   .   .   .   .   .   .   .   298   .   18225   3
      73   3   1   .   .   117.274   .   .   1   .   1   1   30   LEU   N    .   .   .   .   .   .   .   .   .   .   87    .   18225   3
      74   1   1   .   .   7.809     .   .   1   .   1   1   50   LEU   H    .   .   .   .   .   .   .   .   .   .   126   .   18225   3
      74   2   1   .   .   57.828    .   .   1   .   1   1   50   LEU   CA   .   .   .   .   .   .   .   .   .   .   299   .   18225   3
      74   3   1   .   .   119.317   .   .   1   .   1   1   50   LEU   N    .   .   .   .   .   .   .   .   .   .   127   .   18225   3
      75   1   1   .   .   8.254     .   .   1   .   1   1   45   GLY   H    .   .   .   .   .   .   .   .   .   .   1     .   18225   3
      75   2   1   .   .   46.422    .   .   1   .   1   1   45   GLY   CA   .   .   .   .   .   .   .   .   .   .   300   .   18225   3
      75   3   1   .   .   109.531   .   .   1   .   1   1   45   GLY   N    .   .   .   .   .   .   .   .   .   .   2     .   18225   3
      76   1   1   .   .   7.958     .   .   1   .   1   1   49   VAL   H    .   .   .   .   .   .   .   .   .   .   120   .   18225   3
      76   2   1   .   .   66.021    .   .   1   .   1   1   49   VAL   CA   .   .   .   .   .   .   .   .   .   .   222   .   18225   3
      76   3   1   .   .   120.013   .   .   1   .   1   1   49   VAL   N    .   .   .   .   .   .   .   .   .   .   121   .   18225   3
      77   1   1   .   .   8.256     .   .   1   .   .   .   .    .     .    .   .   .   .   .   .   .   .   .   .   108   .   18225   3
      77   2   1   .   .   54.610    .   .   1   .   .   .   .    .     .    .   .   .   .   .   .   .   .   .   .   323   .   18225   3
      77   3   1   .   .   118.930   .   .   1   .   .   .   .    .     .    .   .   .   .   .   .   .   .   .   .   109   .   18225   3
      78   1   1   .   .   8.251     .   .   1   .   1   1   36   MET   H    .   .   .   .   .   .   .   .   .   .   76    .   18225   3
      78   2   1   .   .   58.567    .   .   1   .   1   1   36   MET   CA   .   .   .   .   .   .   .   .   .   .   216   .   18225   3
      78   3   1   .   .   117.300   .   .   1   .   1   1   36   MET   N    .   .   .   .   .   .   .   .   .   .   77    .   18225   3
      79   1   1   .   .   8.346     .   .   1   .   1   1   35   TYR   H    .   .   .   .   .   .   .   .   .   .   312   .   18225   3
      79   2   1   .   .   61.599    .   .   1   .   1   1   35   TYR   CA   .   .   .   .   .   .   .   .   .   .   309   .   18225   3
      79   3   1   .   .   118.670   .   .   1   .   1   1   35   TYR   N    .   .   .   .   .   .   .   .   .   .   313   .   18225   3
      80   1   1   .   .   8.034     .   .   1   .   1   1   54   PHE   H    .   .   .   .   .   .   .   .   .   .   307   .   18225   3
      80   2   1   .   .   60.492    .   .   1   .   1   1   54   PHE   CA   .   .   .   .   .   .   .   .   .   .   317   .   18225   3
      80   3   1   .   .   118.220   .   .   1   .   1   1   54   PHE   N    .   .   .   .   .   .   .   .   .   .   308   .   18225   3
      81   1   1   .   .   8.257     .   .   1   .   1   1   34   ILE   H    .   .   .   .   .   .   .   .   .   .   310   .   18225   3
      81   2   1   .   .   65.094    .   .   1   .   1   1   34   ILE   CA   .   .   .   .   .   .   .   .   .   .   320   .   18225   3
      81   3   1   .   .   117.755   .   .   1   .   1   1   34   ILE   N    .   .   .   .   .   .   .   .   .   .   311   .   18225   3
      82   1   1   .   .   8.303     .   .   1   .   1   1   37   LEU   H    .   .   .   .   .   .   .   .   .   .   322   .   18225   3
      82   2   2   .   .   58.589    .   .   1   .   1   1   37   LEU   CA   .   .   .   .   .   .   .   .   .   .   348   .   18225   3
      82   3   1   .   .   119.989   .   .   1   .   1   1   37   LEU   N    .   .   .   .   .   .   .   .   .   .   321   .   18225   3
      83   1   1   .   .   8.333     .   .   1   .   1   1   39   PHE   H    .   .   .   .   .   .   .   .   .   .   314   .   18225   3
      83   2   1   .   .   61.502    .   .   1   .   1   1   39   PHE   CA   .   .   .   .   .   .   .   .   .   .   354   .   18225   3
      83   3   1   .   .   119.820   .   .   1   .   1   1   39   PHE   N    .   .   .   .   .   .   .   .   .   .   315   .   18225   3
      84   1   1   .   .   8.602     .   .   1   .   1   1   40   LEU   H    .   .   .   .   .   .   .   .   .   .   326   .   18225   3
      84   2   1   .   .   57.845    .   .   1   .   1   1   40   LEU   CA   .   .   .   .   .   .   .   .   .   .   355   .   18225   3
      84   3   1   .   .   120.116   .   .   1   .   1   1   40   LEU   N    .   .   .   .   .   .   .   .   .   .   327   .   18225   3
      85   1   1   .   .   8.147     .   .   1   .   1   1   48   LEU   H    .   .   .   .   .   .   .   .   .   .   302   .   18225   3
      85   2   1   .   .   57.578    .   .   1   .   1   1   48   LEU   CA   .   .   .   .   .   .   .   .   .   .   304   .   18225   3
      85   3   1   .   .   120.531   .   .   1   .   1   1   48   LEU   N    .   .   .   .   .   .   .   .   .   .   303   .   18225   3
   stop_
save_