######################### # 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 bmse011734 _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 bmse011734 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 bmse011734 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011734 1 2 bmse011734 1 3 bmse011734 1 4 bmse011734 1 5 bmse011734 1 6 bmse011734 1 7 bmse011734 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 7.0314 m_1H bmse011734 1 2 1 3.8244 m_2H bmse011734 1 3 1 2.7903 s_2H_Q1 bmse011734 1 4 1 3.0877 m_4H bmse011734 1 5 1 0.8502 m_2H bmse011734 1 6 1 7.3078 m_1H bmse011734 1 7 1 2.6030 DMSO bmse011734 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 8.9132 bmse011734 1 2 2 1 4.7867 bmse011734 1 3 3 1 0.0000 bmse011734 1 4 4 1 7.2940 bmse011734 1 5 5 1 6.2722 bmse011734 1 6 6 1 3.0811 bmse011734 1 7 7 1 1.7881 bmse011734 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011734 1 2 bmse011734 1 3 bmse011734 1 4 bmse011734 1 5 bmse011734 1 6 bmse011734 1 7 bmse011734 1 8 bmse011734 1 9 bmse011734 1 10 bmse011734 1 11 bmse011734 1 12 bmse011734 1 13 bmse011734 1 14 bmse011734 1 15 bmse011734 1 16 bmse011734 1 17 bmse011734 1 18 bmse011734 1 19 bmse011734 1 20 bmse011734 1 21 bmse011734 1 22 bmse011734 1 23 bmse011734 1 24 bmse011734 1 25 bmse011734 1 26 bmse011734 1 27 bmse011734 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 7.0388 bmse011734 1 2 1 7.0239 bmse011734 1 3 1 3.8324 bmse011734 1 4 1 3.8247 bmse011734 1 5 1 3.8165 bmse011734 1 6 1 2.7903 bmse011734 1 7 1 3.1302 bmse011734 1 8 1 3.1196 bmse011734 1 9 1 3.0943 bmse011734 1 10 1 3.0862 bmse011734 1 11 1 3.0783 bmse011734 1 12 1 3.0717 bmse011734 1 13 1 3.0583 bmse011734 1 14 1 3.0451 bmse011734 1 15 1 0.8554 bmse011734 1 16 1 0.8450 bmse011734 1 17 1 7.2953 bmse011734 1 18 1 7.3004 bmse011734 1 19 1 7.3043 bmse011734 1 20 1 7.3114 bmse011734 1 21 1 7.3151 bmse011734 1 22 1 7.3210 bmse011734 1 23 1 2.5970 bmse011734 1 24 1 2.6000 bmse011734 1 25 1 2.6029 bmse011734 1 26 1 2.6060 bmse011734 1 27 1 2.6089 bmse011734 1 stop_ save_