######################### # 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 bmse011544 _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 bmse011544 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 bmse011544 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011544 1 2 bmse011544 1 3 bmse011544 1 4 bmse011544 1 5 bmse011544 1 6 bmse011544 1 7 bmse011544 1 8 bmse011544 1 9 bmse011544 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 4.6500 SUP bmse011544 1 2 1 2.8394 12_s bmse011544 1 3 1 7.0059 7_d_Q2 bmse011544 1 4 1 4.0656 14_m bmse011544 1 5 1 7.2379 13_m bmse011544 1 6 1 3.0328 11_s bmse011544 1 7 1 2.6027 DMSO bmse011544 1 8 1 7.1473 10_m_Q3 bmse011544 1 9 1 1.2190 15_t_Q1 bmse011544 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 0.0000 bmse011544 1 2 2 1 0.0000 bmse011544 1 3 3 1 7.5927 bmse011544 1 4 4 1 6.2061 bmse011544 1 5 5 1 3.7413 bmse011544 1 6 6 1 0.0000 bmse011544 1 7 7 1 1.9807 bmse011544 1 8 8 1 4.1375 bmse011544 1 9 9 1 7.1526 bmse011544 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011544 1 2 bmse011544 1 3 bmse011544 1 4 bmse011544 1 5 bmse011544 1 6 bmse011544 1 7 bmse011544 1 8 bmse011544 1 9 bmse011544 1 10 bmse011544 1 11 bmse011544 1 12 bmse011544 1 13 bmse011544 1 14 bmse011544 1 15 bmse011544 1 16 bmse011544 1 17 bmse011544 1 18 bmse011544 1 19 bmse011544 1 20 bmse011544 1 21 bmse011544 1 22 bmse011544 1 23 bmse011544 1 24 bmse011544 1 25 bmse011544 1 26 bmse011544 1 27 bmse011544 1 28 bmse011544 1 29 bmse011544 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 4.6500 bmse011544 1 2 1 2.8394 bmse011544 1 3 1 6.9996 bmse011544 1 4 1 7.0122 bmse011544 1 5 1 4.0811 bmse011544 1 6 1 4.0601 bmse011544 1 7 1 4.0546 bmse011544 1 8 1 4.0501 bmse011544 1 9 1 7.2535 bmse011544 1 10 1 7.2414 bmse011544 1 11 1 7.2396 bmse011544 1 12 1 7.2363 bmse011544 1 13 1 7.2344 bmse011544 1 14 1 7.2223 bmse011544 1 15 1 3.0328 bmse011544 1 16 1 2.5961 bmse011544 1 17 1 2.6000 bmse011544 1 18 1 2.6027 bmse011544 1 19 1 2.6060 bmse011544 1 20 1 2.6093 bmse011544 1 21 1 7.1646 bmse011544 1 22 1 7.1567 bmse011544 1 23 1 7.1517 bmse011544 1 24 1 7.1438 bmse011544 1 25 1 7.1382 bmse011544 1 26 1 7.1301 bmse011544 1 27 1 1.2071 bmse011544 1 28 1 1.2190 bmse011544 1 29 1 1.2309 bmse011544 1 stop_ save_