######################### # 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 bmse011625 _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 bmse011625 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 bmse011625 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011625 1 2 bmse011625 1 3 bmse011625 1 4 bmse011625 1 5 bmse011625 1 6 bmse011625 1 7 bmse011625 1 8 bmse011625 1 9 bmse011625 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 7.2661 17_m bmse011625 1 2 1 2.5967 DMSO_7_m bmse011625 1 3 1 6.9135 12,13_m bmse011625 1 4 1 7.0750 16_d_Q2 bmse011625 1 5 1 4.2908 3_m bmse011625 1 6 1 7.3464 10,11_d_Q3 bmse011625 1 7 1 3.0993 6_t_Q1 bmse011625 1 8 1 7.2138 15,18_m bmse011625 1 9 1 4.6500 SUP bmse011625 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 7.2626 bmse011625 1 2 2 1 64.0732 bmse011625 1 3 3 1 2.8610 bmse011625 1 4 4 1 7.5927 bmse011625 1 5 5 1 27.5098 bmse011625 1 6 6 1 8.5831 bmse011625 1 7 7 1 6.6574 bmse011625 1 8 8 1 33.9691 bmse011625 1 9 9 1 0.0000 bmse011625 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011625 1 2 bmse011625 1 3 bmse011625 1 4 bmse011625 1 5 bmse011625 1 6 bmse011625 1 7 bmse011625 1 8 bmse011625 1 9 bmse011625 1 10 bmse011625 1 11 bmse011625 1 12 bmse011625 1 13 bmse011625 1 14 bmse011625 1 15 bmse011625 1 16 bmse011625 1 17 bmse011625 1 18 bmse011625 1 19 bmse011625 1 20 bmse011625 1 21 bmse011625 1 22 bmse011625 1 23 bmse011625 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 7.2782 bmse011625 1 2 1 7.2669 bmse011625 1 3 1 7.2540 bmse011625 1 4 1 2.6501 bmse011625 1 5 1 2.5433 bmse011625 1 6 1 6.9015 bmse011625 1 7 1 6.9064 bmse011625 1 8 1 6.9097 bmse011625 1 9 1 6.9169 bmse011625 1 10 1 6.9205 bmse011625 1 11 1 6.9253 bmse011625 1 12 1 7.0687 bmse011625 1 13 1 7.0813 bmse011625 1 14 1 4.3137 bmse011625 1 15 1 4.2679 bmse011625 1 16 1 7.3393 bmse011625 1 17 1 7.3536 bmse011625 1 18 1 3.0882 bmse011625 1 19 1 3.0992 bmse011625 1 20 1 3.1104 bmse011625 1 21 1 7.2421 bmse011625 1 22 1 7.1855 bmse011625 1 23 1 4.6500 bmse011625 1 stop_ save_