######################### # 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 bmse011358 _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 bmse011358 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 bmse011358 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011358 1 2 bmse011358 1 3 bmse011358 1 4 bmse011358 1 5 bmse011358 1 6 bmse011358 1 7 bmse011358 1 8 bmse011358 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 7.2026 11,12_d bmse011358 1 2 1 8.3723 14,15_d_Q3 bmse011358 1 3 1 4.6500 SUP bmse011358 1 4 1 7.3860 16,17_d_Q2 bmse011358 1 5 1 7.2614 9,10_d bmse011358 1 6 1 4.0051 8_s_Q1 bmse011358 1 7 1 2.6027 DMSO bmse011358 1 8 1 3.6601 18_s bmse011358 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 8.4730 bmse011358 1 2 2 1 6.1622 bmse011358 1 3 3 1 0.0000 bmse011358 1 4 4 1 6.2722 bmse011358 1 5 5 1 8.3630 bmse011358 1 6 6 1 0.0000 bmse011358 1 7 7 1 0.0000 bmse011358 1 8 8 1 0.0000 bmse011358 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011358 1 2 bmse011358 1 3 bmse011358 1 4 bmse011358 1 5 bmse011358 1 6 bmse011358 1 7 bmse011358 1 8 bmse011358 1 9 bmse011358 1 10 bmse011358 1 11 bmse011358 1 12 bmse011358 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 7.1956 bmse011358 1 2 1 7.2097 bmse011358 1 3 1 8.3671 bmse011358 1 4 1 8.3774 bmse011358 1 5 1 4.6500 bmse011358 1 6 1 7.3807 bmse011358 1 7 1 7.3912 bmse011358 1 8 1 7.2544 bmse011358 1 9 1 7.2683 bmse011358 1 10 1 4.0051 bmse011358 1 11 1 2.6027 bmse011358 1 12 1 3.6601 bmse011358 1 stop_ save_