######################### # 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 bmse011660 _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 bmse011660 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 bmse011660 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011660 1 2 bmse011660 1 4 bmse011660 1 5 bmse011660 1 6 bmse011660 1 7 bmse011660 1 8 bmse011660 1 9 bmse011660 1 10 bmse011660 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 1.7997 10_m_Q1 bmse011660 1 2 1 7.2863 16,17_dd_Q3 bmse011660 1 3 1 3.9449 5_m_Q2 bmse011660 1 4 1 7.1953 14,15,18_m bmse011660 1 5 1 4.6500 SUP bmse011660 1 6 1 2.9518 4,5_m bmse011660 1 7 1 1.6361 9_m bmse011660 1 8 1 1.0540 8,12,13_m bmse011660 1 9 1 2.5523 DMSO_Imp1_6, bmse011660 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 3.7193 bmse011660 1 2 2 1 7.4827 bmse011660 1 3 2 1 7.4827 bmse011660 1 4 3 1 7.7578 bmse011660 1 5 4 1 61.2996 bmse011660 1 6 5 1 0.0000 bmse011660 1 7 6 1 106.3047 bmse011660 1 8 7 1 17.1661 bmse011660 1 9 8 1 152.3014 bmse011660 1 10 9 1 128.1722 bmse011660 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011660 1 2 bmse011660 1 3 bmse011660 1 4 bmse011660 1 5 bmse011660 1 6 bmse011660 1 7 bmse011660 1 8 bmse011660 1 9 bmse011660 1 10 bmse011660 1 11 bmse011660 1 12 bmse011660 1 13 bmse011660 1 14 bmse011660 1 15 bmse011660 1 16 bmse011660 1 17 bmse011660 1 18 bmse011660 1 19 bmse011660 1 20 bmse011660 1 21 bmse011660 1 22 bmse011660 1 23 bmse011660 1 24 bmse011660 1 25 bmse011660 1 26 bmse011660 1 27 bmse011660 1 28 bmse011660 1 29 bmse011660 1 30 bmse011660 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 1.8306 bmse011660 1 2 1 1.8246 bmse011660 1 3 1 1.8184 bmse011660 1 4 1 1.8118 bmse011660 1 5 1 1.8057 bmse011660 1 6 1 1.7997 bmse011660 1 7 1 1.7932 bmse011660 1 8 1 1.7874 bmse011660 1 9 1 1.7808 bmse011660 1 10 1 1.7745 bmse011660 1 11 1 1.7687 bmse011660 1 12 1 7.2988 bmse011660 1 13 1 7.2859 bmse011660 1 14 1 7.2859 bmse011660 1 15 1 7.2738 bmse011660 1 16 1 3.9578 bmse011660 1 17 1 3.9336 bmse011660 1 18 1 3.9320 bmse011660 1 19 1 7.2464 bmse011660 1 20 1 7.1443 bmse011660 1 21 1 4.6500 bmse011660 1 22 1 3.0403 bmse011660 1 23 1 2.8632 bmse011660 1 24 1 1.6647 bmse011660 1 25 1 1.6350 bmse011660 1 26 1 1.6075 bmse011660 1 27 1 1.1809 bmse011660 1 28 1 0.9272 bmse011660 1 29 1 2.6591 bmse011660 1 30 1 2.4455 bmse011660 1 stop_ save_