save_nef_nmr_spectrum_simnoe
   _nef_nmr_spectrum.sf_category          nef_nmr_spectrum
   _nef_nmr_spectrum.sf_framecode         nef_nmr_spectrum_simnoe
   _nef_nmr_spectrum.num_dimensions       3
   _nef_nmr_spectrum.chemical_shift_list  .

   loop_
      _nef_spectrum_dimension.dimension_id
      _nef_spectrum_dimension.axis_unit
      _nef_spectrum_dimension.axis_code
      _nef_spectrum_dimension.spectrometer_frequency
      _nef_spectrum_dimension.spectral_width
      _nef_spectrum_dimension.value_first_point
      _nef_spectrum_dimension.folding
      _nef_spectrum_dimension.absolute_peak_positions
      _nef_spectrum_dimension.is_acquisition

     1   ppm   1H    800.133   11.0113   .   circular   true   .
     2   ppm   1H    800.133   11.0600   .   circular   true   .
     3   ppm   15N   81.076    81.8927   .   circular   true   .

   stop_

   loop_
      _nef_spectrum_dimension_transfer.dimension_1
      _nef_spectrum_dimension_transfer.dimension_2
      _nef_spectrum_dimension_transfer.transfer_type


   stop_

   loop_
      _nef_peak.index
      _nef_peak.peak_id
      _nef_peak.volume
      _nef_peak.volume_uncertainty
      _nef_peak.height
      _nef_peak.height_uncertainty
      _nef_peak.position_1
      _nef_peak.position_uncertainty_1
      _nef_peak.position_2
      _nef_peak.position_uncertainty_2
      _nef_peak.position_3
      _nef_peak.position_uncertainty_3
      _nef_peak.chain_code_1
      _nef_peak.sequence_code_1
      _nef_peak.residue_name_1
      _nef_peak.atom_name_1
      _nef_peak.chain_code_2
      _nef_peak.sequence_code_2
      _nef_peak.residue_name_2
      _nef_peak.atom_name_2
      _nef_peak.chain_code_3
      _nef_peak.sequence_code_3
      _nef_peak.residue_name_3
      _nef_peak.atom_name_3

     1   0   0.38    .   0.38    .   10.405   .   8.796   .   132.49   .   A   1   ALA   HE1   A   3   ALA   HN   .   .   .   .
     2   1   1.298   .   1.298   .   10.408   .   7.139   .   132.49   .   .   .   .     .     .   .   .     .    .   .   .   .
     4   3   0.319   .   0.319   .   10.408   .   5.542   .   132.49   .   A   2   ALA   HE1   A   3   ALA   HA   .   .   .   .

   stop_

save_
