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                         18628
   _Spectral_peak_list.ID                               3
   _Spectral_peak_list.Sample_ID                        1
   _Spectral_peak_list.Sample_label                     $13C15N
   _Spectral_peak_list.Sample_condition_list_ID         1
   _Spectral_peak_list.Sample_condition_list_label      $Set1
   _Spectral_peak_list.Experiment_ID                    3
   _Spectral_peak_list.Experiment_name                  '3D CBCA(CO)NH'
   _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    .   .   3305.01806641   .   .   .   .   .   .   .   18628   3
      2   .   .   C   13   13C   .   .   9340.78027344   .   .   .   .   .   .   .   18628   3
      3   .   .   N   15   15N   .   .   1866.97802734   .   .   .   .   .   .   .   18628   3
   stop_

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

      1    1.0   .   .   18628   3
      2    1.0   .   .   18628   3
      3    1.0   .   .   18628   3
      4    1.0   .   .   18628   3
      5    1.0   .   .   18628   3
      6    1.0   .   .   18628   3
      7    1.0   .   .   18628   3
      8    1.0   .   .   18628   3
      9    1.0   .   .   18628   3
      10   1.0   .   .   18628   3
      11   1.0   .   .   18628   3
      12   1.0   .   .   18628   3
      13   1.0   .   .   18628   3
      14   1.0   .   .   18628   3
      15   1.0   .   .   18628   3
      16   1.0   .   .   18628   3
      17   1.0   .   .   18628   3
      18   1.0   .   .   18628   3
      19   1.0   .   .   18628   3
      20   1.0   .   .   18628   3
      21   1.0   .   .   18628   3
      22   1.0   .   .   18628   3
      23   1.0   .   .   18628   3
      24   1.0   .   .   18628   3
      25   1.0   .   .   18628   3
      26   1.0   .   .   18628   3
      27   1.0   .   .   18628   3
      28   1.0   .   .   18628   3
      29   1.0   .   .   18628   3
      30   1.0   .   .   18628   3
      31   1.0   .   .   18628   3
      32   1.0   .   .   18628   3
      33   1.0   .   .   18628   3
      34   1.0   .   .   18628   3
      35   1.0   .   .   18628   3
      36   1.0   .   .   18628   3
      37   1.0   .   .   18628   3
      38   1.0   .   .   18628   3
      39   1.0   .   .   18628   3
      40   1.0   .   .   18628   3
      41   1.0   .   .   18628   3
      42   1.0   .   .   18628   3
      43   1.0   .   .   18628   3
      44   1.0   .   .   18628   3
      45   1.0   .   .   18628   3
      46   1.0   .   .   18628   3
      47   1.0   .   .   18628   3
      48   1.0   .   .   18628   3
      49   1.0   .   .   18628   3
      50   1.0   .   .   18628   3
      51   1.0   .   .   18628   3
      52   1.0   .   .   18628   3
      53   1.0   .   .   18628   3
      54   1.0   .   .   18628   3
      55   1.0   .   .   18628   3
      56   1.0   .   .   18628   3
      57   1.0   .   .   18628   3
      58   1.0   .   .   18628   3
      59   1.0   .   .   18628   3
      60   1.0   .   .   18628   3
      61   1.0   .   .   18628   3
      62   1.0   .   .   18628   3
      63   1.0   .   .   18628   3
      64   1.0   .   .   18628   3
      65   1.0   .   .   18628   3
      66   1.0   .   .   18628   3
      67   1.0   .   .   18628   3
      68   1.0   .   .   18628   3
      69   1.0   .   .   18628   3
      70   1.0   .   .   18628   3
      71   1.0   .   .   18628   3
      72   1.0   .   .   18628   3
      73   1.0   .   .   18628   3
      74   1.0   .   .   18628   3
      75   1.0   .   .   18628   3
      76   1.0   .   .   18628   3
      77   1.0   .   .   18628   3
      78   1.0   .   .   18628   3
      79   1.0   .   .   18628   3
      80   1.0   .   .   18628   3
      81   1.0   .   .   18628   3
      82   1.0   .   .   18628   3
      83   1.0   .   .   18628   3
      84   1.0   .   .   18628   3
      85   1.0   .   .   18628   3
      86   1.0   .   .   18628   3
      87   1.0   .   .   18628   3
      88   1.0   .   .   18628   3
      89   1.0   .   .   18628   3
      90   1.0   .   .   18628   3
      91   1.0   .   .   18628   3
      92   1.0   .   .   18628   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    20154.63476560     .   height   18628   3
      1    330573.25976600    .   volume   18628   3
      2    9920.75683594      .   height   18628   3
      2    151642.07115200    .   volume   18628   3
      3    13563.64160160     .   height   18628   3
      3    238164.83520500    .   volume   18628   3
      4    -299.58114624      .   height   18628   3
      4    42359.38510890     .   volume   18628   3
      5    24634.62695310     .   height   18628   3
      5    424709.83203100    .   volume   18628   3
      6    28225.69140620     .   height   18628   3
      6    477373.76464800    .   volume   18628   3
      7    20109.14062500     .   height   18628   3
      7    362686.61920200    .   volume   18628   3
      8    54122.99218750     .   height   18628   3
      8    889253.31250000    .   volume   18628   3
      9    93316.25000000     .   height   18628   3
      9    1572173.27930000   .   volume   18628   3
      10   101662.10937500    .   height   18628   3
      10   1707320.94922000   .   volume   18628   3
      11   54175.03906250     .   height   18628   3
      11   886588.43066400    .   volume   18628   3
      12   10637.95605470     .   height   18628   3
      12   172731.77795400    .   volume   18628   3
      13   34915.79687500     .   height   18628   3
      13   745485.28369100    .   volume   18628   3
      14   10733.16210940     .   height   18628   3
      14   176273.90283200    .   volume   18628   3
      15   31474.37500000     .   height   18628   3
      15   608050.87304700    .   volume   18628   3
      16   148143.00000000    .   height   18628   3
      16   2491887.69922000   .   volume   18628   3
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      32   21370.62695310     .   height   18628   3
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      33   73600.10937500     .   height   18628   3
      33   1280183.73242000   .   volume   18628   3
      34   80044.87500000     .   height   18628   3
      34   1372340.41992000   .   volume   18628   3
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      37   124913.64062500    .   height   18628   3
      37   2103137.17969000   .   volume   18628   3
      38   17279.10351560     .   height   18628   3
      38   240197.83020000    .   volume   18628   3
      39   -4404.72998047     .   height   18628   3
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      40   -4754.03417969     .   height   18628   3
      40   -92481.21533200    .   volume   18628   3
      41   -9055.13769531     .   height   18628   3
      41   -151473.05127000   .   volume   18628   3
      42   42370.52734380     .   height   18628   3
      42   703350.00000000    .   volume   18628   3
      43   8864.04785156      .   height   18628   3
      43   146211.74560500    .   volume   18628   3
      44   54332.88281250     .   height   18628   3
      44   942659.47851600    .   volume   18628   3
      45   22545.32031250     .   height   18628   3
      45   356740.92968800    .   volume   18628   3
      46   47182.82812500     .   height   18628   3
      46   765382.59863300    .   volume   18628   3
      47   62093.00390620     .   height   18628   3
      47   1044030.54883000   .   volume   18628   3
      48   46779.87109380     .   height   18628   3
      48   785194.07617200    .   volume   18628   3
      49   69700.66406250     .   height   18628   3
      49   1172897.94824000   .   volume   18628   3
      50   39916.21484380     .   height   18628   3
      50   654219.18261700    .   volume   18628   3
      51   61578.08593750     .   height   18628   3
      51   1018964.20703000   .   volume   18628   3
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      52   574862.73535200    .   volume   18628   3
      53   99663.00000000     .   height   18628   3
      53   1661312.58984000   .   volume   18628   3
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      54   353298.37011700    .   volume   18628   3
      55   13612.49121090     .   height   18628   3
      55   210900.70861800    .   volume   18628   3
      56   12653.93847660     .   height   18628   3
      56   188531.86084000    .   volume   18628   3
      57   16889.43164060     .   height   18628   3
      57   279100.35595700    .   volume   18628   3
      58   61398.92578120     .   height   18628   3
      58   1040939.32324000   .   volume   18628   3
      59   42455.40625000     .   height   18628   3
      59   720899.94628900    .   volume   18628   3
      60   39784.69921880     .   height   18628   3
      60   661308.94140600    .   volume   18628   3
      61   38638.30078120     .   height   18628   3
      61   651986.86425800    .   volume   18628   3
      62   76832.82031250     .   height   18628   3
      62   1288556.95898000   .   volume   18628   3
      63   26272.91015620     .   height   18628   3
      63   452370.32031200    .   volume   18628   3
      64   112512.17187500    .   height   18628   3
      64   1894706.29297000   .   volume   18628   3
      65   42500.67968750     .   height   18628   3
      65   708073.90332000    .   volume   18628   3
      66   92587.06250000     .   height   18628   3
      66   1521040.78516000   .   volume   18628   3
      67   18929.56445310     .   height   18628   3
      67   323193.87158200    .   volume   18628   3
      68   92204.11718750     .   height   18628   3
      68   1686590.26172000   .   volume   18628   3
      69   77519.56250000     .   height   18628   3
      69   1305449.67773000   .   volume   18628   3
      70   17681.88867190     .   height   18628   3
      70   311835.81811500    .   volume   18628   3
      71   83929.41406250     .   height   18628   3
      71   1516483.22656000   .   volume   18628   3
      72   -9339.47656250     .   height   18628   3
      72   -167462.46704100   .   volume   18628   3
      73   35339.30078120     .   height   18628   3
      73   695026.35937500    .   volume   18628   3
      74   102546.83593800    .   height   18628   3
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      75   186156.37500000    .   height   18628   3
      75   3226339.78906000   .   volume   18628   3
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      77   41217.95703120     .   height   18628   3
      77   681613.33105500    .   volume   18628   3
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      78   382499.78173800    .   volume   18628   3
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      79   412373.82470700    .   volume   18628   3
      80   122274.50000000    .   height   18628   3
      80   2195243.76562000   .   volume   18628   3
      81   19396.15429690     .   height   18628   3
      81   322641.55981400    .   volume   18628   3
      82   46593.69531250     .   height   18628   3
      82   795901.05371100    .   volume   18628   3
      83   34201.49218750     .   height   18628   3
      83   632391.85156200    .   volume   18628   3
      84   37366.07812500     .   height   18628   3
      84   598821.06250000    .   volume   18628   3
      85   59867.85546880     .   height   18628   3
      85   980242.20703100    .   volume   18628   3
      86   20134.39257810     .   height   18628   3
      86   365116.00195300    .   volume   18628   3
      87   81916.71093750     .   height   18628   3
      87   1380647.83203000   .   volume   18628   3
      88   5888.08642578      .   height   18628   3
      88   50812.77639770     .   volume   18628   3
      89   49053.59375000     .   height   18628   3
      89   833159.56054700    .   volume   18628   3
      90   31062.89843750     .   height   18628   3
      90   528147.47753900    .   volume   18628   3
      91   3988.04882812      .   height   18628   3
      91   74380.00744630     .   volume   18628   3
      92   3485.12768555      .   height   18628   3
      92   64049.25625610     .   volume   18628   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

      13   1   6.851     .   33.6327217443    .   .   .   .   .   .   .   .   .   .   .   18628   3
      13   2   38.211    .   290.5091690810   .   .   .   .   .   .   .   .   .   .   .   18628   3
      13   3   114.349   .   61.9206592397    .   .   .   .   .   .   .   .   .   .   .   18628   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

      13   1   1   .   .   6.851     .   .   1   .   1   1   23   GLU   H    .   .   .   .   .   .   .   .   .   .   178   .   18628   3
      13   2   1   .   .   38.211    .   .   1   .   1   1   22   ASN   CB   .   .   .   .   .   .   .   .   .   .   181   .   18628   3
      13   3   1   .   .   114.349   .   .   1   .   1   1   23   GLU   N    .   .   .   .   .   .   .   .   .   .   179   .   18628   3
   stop_
save_