######################### # 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 bmse011365 _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 bmse011365 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 bmse011365 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011365 1 3 bmse011365 1 4 bmse011365 1 5 bmse011365 1 6 bmse011365 1 7 bmse011365 1 8 bmse011365 1 9 bmse011365 1 10 bmse011365 1 11 bmse011365 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 7.2385 17_dd bmse011365 1 2 1 4.6500 SUP bmse011365 1 3 1 1.1922 15,16_d bmse011365 1 4 1 7.8749 18_m bmse011365 1 5 1 2.9545 12_m_Q1 bmse011365 1 6 1 2.6031 DMSO bmse011365 1 7 1 7.4325 10,11_d_Q2 bmse011365 1 8 1 7.7839 14_d bmse011365 1 9 1 7.8183 8,9_d_Q3 bmse011365 1 10 1 8.3137 13_d bmse011365 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 7.0425 bmse011365 1 2 1 1 5.2819 bmse011365 1 3 2 1 0.0000 bmse011365 1 4 3 1 7.0425 bmse011365 1 5 4 1 4.2090 bmse011365 1 6 5 1 6.9050 bmse011365 1 7 6 1 0.0000 bmse011365 1 8 7 1 8.2530 bmse011365 1 9 8 1 8.1429 bmse011365 1 10 9 1 8.2530 bmse011365 1 11 10 1 4.9518 bmse011365 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011365 1 2 bmse011365 1 3 bmse011365 1 4 bmse011365 1 5 bmse011365 1 6 bmse011365 1 7 bmse011365 1 8 bmse011365 1 9 bmse011365 1 10 bmse011365 1 11 bmse011365 1 12 bmse011365 1 13 bmse011365 1 14 bmse011365 1 15 bmse011365 1 16 bmse011365 1 17 bmse011365 1 18 bmse011365 1 19 bmse011365 1 20 bmse011365 1 21 bmse011365 1 22 bmse011365 1 23 bmse011365 1 24 bmse011365 1 25 bmse011365 1 26 bmse011365 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 7.2487 bmse011365 1 2 1 7.2401 bmse011365 1 3 1 7.2372 bmse011365 1 4 1 7.2282 bmse011365 1 5 1 4.6500 bmse011365 1 6 1 1.1864 bmse011365 1 7 1 1.1981 bmse011365 1 8 1 7.8890 bmse011365 1 9 1 7.8870 bmse011365 1 10 1 7.8760 bmse011365 1 11 1 7.8635 bmse011365 1 12 1 7.8609 bmse011365 1 13 1 2.9775 bmse011365 1 14 1 2.9656 bmse011365 1 15 1 2.9538 bmse011365 1 16 1 2.9426 bmse011365 1 17 1 2.9315 bmse011365 1 18 1 2.6031 bmse011365 1 19 1 7.4257 bmse011365 1 20 1 7.4394 bmse011365 1 21 1 7.7771 bmse011365 1 22 1 7.7907 bmse011365 1 23 1 7.8114 bmse011365 1 24 1 7.8252 bmse011365 1 25 1 8.3096 bmse011365 1 26 1 8.3178 bmse011365 1 stop_ save_