######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 34605 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $sample_2 _Spectral_peak_list.Sample_condition_list_ID 2 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_2 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 12 _Spectral_peak_list.Experiment_name '3D filt. 1H-13C NOESY aliphatic' _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 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format Text _Spectral_peak_list.Text_data ; # Number of dimensions 3 #FORMAT xeasy3D #INAME 1 HC #INAME 2 H #INAME 3 C #SPECTRUM C13NOESY HC H C 1 0.883 7.679 27.075 1 T 3.620e+06 0.00e+00 a 0 QD2.58 Q13.177 CD2.58 2 0.885 7.504 27.120 1 T 4.092e+06 0.00e+00 a 0 QD2.58 Q12.177 CD2.58 3 0.884 7.377 27.037 1 T 5.070e+06 0.00e+00 a 0 QD2.58 Q19.177 CD2.58 4 1.018 7.679 14.415 1 T 2.459e+06 0.00e+00 a 0 QD1.7 Q13.177 CD1.7 5 1.021 7.377 14.302 1 T 2.358e+06 0.00e+00 a 0 QD1.7 Q19.177 CD1.7 6 1.017 5.681 14.397 1 T 1.926e+06 0.00e+00 a 0 QD1.7 H32.177 CD1.7 7 1.019 3.573 14.385 1 T 5.624e+06 0.00e+00 a 0 QD1.7 Q24.177 CD1.7 8 1.737 7.391 17.165 1 T 4.380e+06 0.00e+00 a 0 QE.62 Q19.177 CE.62 9 1.742 7.484 17.137 1 T 4.060e+06 0.00e+00 a 0 QE.62 Q18.177 CE.62 10 1.742 7.680 17.163 1 T 4.864e+06 0.00e+00 a 0 QE.62 Q13.177 CE.62 11 1.747 5.688 17.212 1 T 1.702e+06 0.00e+00 a 0 QE.62 H32.177 CE.62 12 1.741 3.576 17.143 1 T 3.384e+06 0.00e+00 a 0 QE.62 Q24.177 CE.62 13 2.095 7.370 17.752 1 T 4.900e+06 0.00e+00 a 0 QE.122 H39.177 CE.122 14 0.906 7.666 20.842 1 T 3.647e+06 0.00e+00 a 0 QG2.53 H30.177 CG2.53 15 0.878 7.664 20.914 1 T 4.788e+06 0.00e+00 a 0 QG1.53 H30.177 CG1.53 16 0.904 7.877 20.833 1 T 3.107e+06 0.00e+00 a 0 QG2.53 H29.177 CG2.53 17 0.878 7.892 20.916 1 T 4.203e+06 0.00e+00 a 0 QG1.53 H29.177 CG1.53 18 0.902 8.131 20.838 1 T 2.433e+06 0.00e+00 a 0 QG2.53 H28.177 CG2.53 19 0.878 8.137 20.965 1 T 3.366e+06 0.00e+00 a 0 QG1.53 H28.177 CG1.53 21 1.219 8.136 21.497 1 T 3.959e+06 0.00e+00 a 0 QG2.59 H28.177 CG2.59 22 1.217 7.911 21.525 1 T 2.001e+06 0.00e+00 a 0 QG2.59 H29.177 CG2.59 23 1.218 7.674 21.518 1 T 7.461e+06 0.00e+00 a 0 QG2.59 Q13.177 CG2.59 24 1.215 7.398 21.488 1 T 2.360e+06 0.00e+00 a 0 QG2.59 Q19.177 CG2.59 25 1.219 5.697 21.525 1 T 3.532e+06 0.00e+00 a 0 QG2.59 H32.177 CG2.59 26 1.219 3.575 21.493 1 T 2.955e+07 0.00e+00 a 0 QG2.59 Q24.177 CG2.59 27 0.747 7.684 23.845 1 T 2.832e+06 0.00e+00 a 0 QD2.116 Q13.177 CD2.116 28 0.763 7.383 23.845 1 T 9.397e+06 0.00e+00 a 0 QD2.116 Q19.177 CD2.116 29 0.900 7.363 23.790 1 T 1.285e+07 0.00e+00 a 0 QD2.45 Q19.177 CD2.45 30 0.952 7.675 24.253 1 T 2.585e+06 0.00e+00 a 0 QD1.58 Q13.177 CD1.58 31 0.944 7.483 24.242 1 T 2.880e+06 0.00e+00 a 0 QD1.58 Q18.177 CD1.58 32 0.948 7.377 24.148 1 T 3.724e+06 0.00e+00 a 0 QD1.58 Q19.177 CD1.58 33 0.723 3.576 24.057 1 T 1.902e+06 0.00e+00 a 0 QD1.4 Q24.177 CD1.4 35 0.902 7.670 23.783 1 T 1.430e+06 0.00e+00 a 0 QD2.45 Q13.177 CD2.45 36 0.569 7.500 25.286 1 T 1.630e+06 0.00e+00 a 0 QD2.4 Q12.177 CD2.4 37 0.571 7.377 25.325 1 T 2.301e+06 0.00e+00 a 0 QD2.4 Q19.177 CD2.4 39 0.913 7.366 25.999 1 T 1.304e+07 0.00e+00 a 0 QD1.45 H39.177 CD1.45 40 1.003 7.377 26.055 1 T 2.405e+06 0.00e+00 a 0 QD1.42 Q19.177 CD1.42 41 0.650 7.372 26.370 1 T 2.450e+06 0.00e+00 a 0 QD1.116 Q19.177 CD1.116 45 2.271 3.578 32.200 1 T 2.703e+06 0.00e+00 a 0 HB2.62 Q24.177 CB.62 46 2.545 3.576 32.348 1 T 2.036e+06 0.00e+00 a 0 HB3.62 Q24.177 CB.62 ; 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 H-aliphatic . . 18.0 ppm . . . 4.84 . . 34605 1 2 . . H 1 H . . 12.0 ppm . . . 4.84 . . 34605 1 3 . . C 13 C-aliphatic . . 70.0 ppm . . . 41.8 . . 34605 1 stop_ save_