######################### # 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 bmse011652 _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 bmse011652 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 bmse011652 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011652 1 2 bmse011652 1 3 bmse011652 1 4 bmse011652 1 5 bmse011652 1 6 bmse011652 1 7 bmse011652 1 8 bmse011652 1 9 bmse011652 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 1.0894 17_t_Q1 bmse011652 1 2 1 3.4142 12,13_m bmse011652 1 3 1 7.1603 10,11_d_Q3 bmse011652 1 4 1 2.5119 14_q bmse011652 1 5 1 1.5792 16,18_m bmse011652 1 6 1 1.4783 15_quint bmse011652 1 7 1 2.6025 DMSO bmse011652 1 8 1 6.8411 8,9_m_Q2 bmse011652 1 9 1 4.6500 SUP bmse011652 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 7.5927 bmse011652 1 2 2 1 75.8703 bmse011652 1 3 3 1 8.4730 bmse011652 1 4 4 1 7.6661 bmse011652 1 5 5 1 83.4339 bmse011652 1 6 6 1 5.6395 bmse011652 1 7 7 1 1.8707 bmse011652 1 8 8 1 2.9050 bmse011652 1 9 9 1 0.0000 bmse011652 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011652 1 2 bmse011652 1 3 bmse011652 1 4 bmse011652 1 5 bmse011652 1 6 bmse011652 1 7 bmse011652 1 8 bmse011652 1 9 bmse011652 1 10 bmse011652 1 11 bmse011652 1 12 bmse011652 1 13 bmse011652 1 14 bmse011652 1 15 bmse011652 1 16 bmse011652 1 17 bmse011652 1 18 bmse011652 1 19 bmse011652 1 20 bmse011652 1 21 bmse011652 1 22 bmse011652 1 23 bmse011652 1 24 bmse011652 1 25 bmse011652 1 26 bmse011652 1 27 bmse011652 1 28 bmse011652 1 29 bmse011652 1 30 bmse011652 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 1.0767 bmse011652 1 2 1 1.0894 bmse011652 1 3 1 1.1020 bmse011652 1 4 1 3.4774 bmse011652 1 5 1 3.3510 bmse011652 1 6 1 7.1532 bmse011652 1 7 1 7.1673 bmse011652 1 8 1 2.4927 bmse011652 1 9 1 2.5055 bmse011652 1 10 1 2.5182 bmse011652 1 11 1 2.5310 bmse011652 1 12 1 1.6487 bmse011652 1 13 1 1.5097 bmse011652 1 14 1 1.4595 bmse011652 1 15 1 1.4691 bmse011652 1 16 1 1.4782 bmse011652 1 17 1 1.4876 bmse011652 1 18 1 1.4971 bmse011652 1 19 1 2.5963 bmse011652 1 20 1 2.5998 bmse011652 1 21 1 2.6029 bmse011652 1 22 1 2.6058 bmse011652 1 23 1 2.6088 bmse011652 1 24 1 6.8292 bmse011652 1 25 1 6.8340 bmse011652 1 26 1 6.8377 bmse011652 1 27 1 6.8446 bmse011652 1 28 1 6.8483 bmse011652 1 29 1 6.8534 bmse011652 1 30 1 4.6500 bmse011652 1 stop_ save_