######################### # Spectral peak lists # ######################### save_spectral_peaks_1D_1H _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peaks_1D_1H _Spectral_peak_list.Entry_ID bmse011251 _Spectral_peak_list.ID 1 _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 1 _Spectral_peak_list.Experiment_name '1D 1H' _Spectral_peak_list.Number_of_spectral_dimensions 1 _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Details 'F1: 1H' loop_ _Spectral_dim.ID _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 600.1728185 H 1 'Full H' 12.0157698570257 ppm bmse011251 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 1 $software_topspin bmse011251 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011251 1 3 bmse011251 1 4 bmse011251 1 5 bmse011251 1 6 bmse011251 1 7 bmse011251 1 8 bmse011251 1 9 bmse011251 1 10 bmse011251 1 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Details _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 7.6223 dd_4H bmse011251 1 2 1 7.3542 m_3H bmse011251 1 3 1 2.4823 Imp1 bmse011251 1 4 1 7.4482 t_2H_Q1 bmse011251 1 5 1 3.2697 s_2H bmse011251 1 6 1 1.0928 m_3H bmse011251 1 7 1 3.5680 q_2H bmse011251 1 8 1 2.6028 DMSO bmse011251 1 9 1 5.8492 s_1H bmse011251 1 stop_ loop_ _Peak_coupling.ID _Peak_coupling.Peak_ID _Peak_coupling.Spectral_dim_ID _Peak_coupling.Coupling_val _Peak_coupling.Entry_ID _Peak_coupling.Spectral_peak_list_ID 1 1 1 11.9393 bmse011251 1 2 1 1 7.9779 bmse011251 1 3 2 1 8.4730 bmse011251 1 4 3 1 0.0000 bmse011251 1 5 4 1 7.7028 bmse011251 1 6 5 1 0.0000 bmse011251 1 7 6 1 4.7317 bmse011251 1 8 7 1 7.1159 bmse011251 1 9 8 1 1.9532 bmse011251 1 10 9 1 0.0000 bmse011251 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011251 1 2 bmse011251 1 3 bmse011251 1 4 bmse011251 1 5 bmse011251 1 6 bmse011251 1 7 bmse011251 1 8 bmse011251 1 9 bmse011251 1 10 bmse011251 1 11 bmse011251 1 12 bmse011251 1 13 bmse011251 1 14 bmse011251 1 15 bmse011251 1 16 bmse011251 1 17 bmse011251 1 18 bmse011251 1 19 bmse011251 1 20 bmse011251 1 21 bmse011251 1 22 bmse011251 1 23 bmse011251 1 24 bmse011251 1 25 bmse011251 1 stop_ loop_ _Spectral_transition_char.Spectral_transition_ID _Spectral_transition_char.Spectral_dim_ID _Spectral_transition_char.Chem_shift_val _Spectral_transition_char.Entry_ID _Spectral_transition_char.Spectral_peak_list_ID 1 1 7.6389 bmse011251 1 2 1 7.6264 bmse011251 1 3 1 7.6198 bmse011251 1 4 1 7.6057 bmse011251 1 5 1 7.3613 bmse011251 1 6 1 7.3472 bmse011251 1 7 1 2.4823 bmse011251 1 8 1 7.4354 bmse011251 1 9 1 7.4484 bmse011251 1 10 1 7.4610 bmse011251 1 11 1 3.2697 bmse011251 1 12 1 1.1046 bmse011251 1 13 1 1.0928 bmse011251 1 14 1 1.0877 bmse011251 1 15 1 1.0809 bmse011251 1 16 1 3.5502 bmse011251 1 17 1 3.5622 bmse011251 1 18 1 3.5741 bmse011251 1 19 1 3.5858 bmse011251 1 20 1 2.5963 bmse011251 1 21 1 2.6001 bmse011251 1 22 1 2.6029 bmse011251 1 23 1 2.6056 bmse011251 1 24 1 2.6093 bmse011251 1 25 1 5.8492 bmse011251 1 stop_ save_