######################### # 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 bmse011062 _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 bmse011062 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 bmse011062 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011062 1 2 bmse011062 1 3 bmse011062 1 4 bmse011062 1 5 bmse011062 1 6 bmse011062 1 7 bmse011062 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 7.5659 7,8,9,10_Q1 bmse011062 1 2 1 8.3860 2_s bmse011062 1 3 1 7.7662 12_m_Q3 bmse011062 1 4 1 7.6245 14_m_Q2 bmse011062 1 5 1 4.6500 SUP bmse011062 1 6 1 7.3694 16,17_m bmse011062 1 7 1 2.6026 DMSO bmse011062 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 43.7887 bmse011062 1 2 2 1 0.0000 bmse011062 1 3 3 1 2.2833 bmse011062 1 4 4 1 2.2833 bmse011062 1 5 5 1 0.0000 bmse011062 1 6 6 1 48.3268 bmse011062 1 7 7 1 1.9532 bmse011062 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011062 1 2 bmse011062 1 3 bmse011062 1 4 bmse011062 1 5 bmse011062 1 6 bmse011062 1 7 bmse011062 1 8 bmse011062 1 9 bmse011062 1 10 bmse011062 1 11 bmse011062 1 12 bmse011062 1 13 bmse011062 1 14 bmse011062 1 15 bmse011062 1 16 bmse011062 1 17 bmse011062 1 18 bmse011062 1 19 bmse011062 1 20 bmse011062 1 21 bmse011062 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 7.6024 bmse011062 1 2 1 7.5294 bmse011062 1 3 1 8.3860 bmse011062 1 4 1 7.7738 bmse011062 1 5 1 7.7713 bmse011062 1 6 1 7.7656 bmse011062 1 7 1 7.7630 bmse011062 1 8 1 7.7586 bmse011062 1 9 1 7.6321 bmse011062 1 10 1 7.6279 bmse011062 1 11 1 7.6251 bmse011062 1 12 1 7.6195 bmse011062 1 13 1 7.6169 bmse011062 1 14 1 4.6500 bmse011062 1 15 1 7.4096 bmse011062 1 16 1 7.3291 bmse011062 1 17 1 2.5961 bmse011062 1 18 1 2.5996 bmse011062 1 19 1 2.6025 bmse011062 1 20 1 2.6056 bmse011062 1 21 1 2.6091 bmse011062 1 stop_ save_