######################### # 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 bmse011540 _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 bmse011540 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 bmse011540 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011540 1 2 bmse011540 1 3 bmse011540 1 4 bmse011540 1 6 bmse011540 1 7 bmse011540 1 8 bmse011540 1 9 bmse011540 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 7.2770 4_d_Q3 bmse011540 1 2 1 2.5305 7_s bmse011540 1 3 1 4.6500 SUP bmse011540 1 4 1 3.9403 8_dd_Q1 bmse011540 1 5 1 2.6029 DMSO bmse011540 1 6 1 7.2289 5_d_Q2 bmse011540 1 7 1 4.1031 6_m bmse011540 1 8 1 1.1820 10_m bmse011540 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 1.9807 bmse011540 1 2 2 1 0.0000 bmse011540 1 3 3 1 0.0000 bmse011540 1 4 4 1 15.2404 bmse011540 1 5 4 1 9.0782 bmse011540 1 6 5 1 1.7606 bmse011540 1 7 6 1 1.9807 bmse011540 1 8 7 1 3.7597 bmse011540 1 9 8 1 6.3823 bmse011540 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011540 1 2 bmse011540 1 3 bmse011540 1 4 bmse011540 1 5 bmse011540 1 6 bmse011540 1 7 bmse011540 1 8 bmse011540 1 9 bmse011540 1 10 bmse011540 1 11 bmse011540 1 12 bmse011540 1 13 bmse011540 1 14 bmse011540 1 15 bmse011540 1 16 bmse011540 1 17 bmse011540 1 18 bmse011540 1 19 bmse011540 1 20 bmse011540 1 21 bmse011540 1 22 bmse011540 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 7.2753 bmse011540 1 2 1 7.2786 bmse011540 1 3 1 2.5305 bmse011540 1 4 1 4.6500 bmse011540 1 5 1 3.9606 bmse011540 1 6 1 3.9455 bmse011540 1 7 1 3.9353 bmse011540 1 8 1 3.9201 bmse011540 1 9 1 2.6000 bmse011540 1 10 1 2.6029 bmse011540 1 11 1 2.6058 bmse011540 1 12 1 7.2273 bmse011540 1 13 1 7.2306 bmse011540 1 14 1 4.1219 bmse011540 1 15 1 4.1168 bmse011540 1 16 1 4.1098 bmse011540 1 17 1 4.1049 bmse011540 1 18 1 4.0972 bmse011540 1 19 1 4.0920 bmse011540 1 20 1 4.0843 bmse011540 1 21 1 1.1873 bmse011540 1 22 1 1.1766 bmse011540 1 stop_ save_