######################### # 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 bmse011405 _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 bmse011405 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 bmse011405 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011405 1 2 bmse011405 1 3 bmse011405 1 5 bmse011405 1 6 bmse011405 1 7 bmse011405 1 8 bmse011405 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 7.5180 15_t bmse011405 1 2 1 1.6882 12_d bmse011405 1 3 1 7.5677 13,14_dd_Q1 bmse011405 1 4 1 8.4949 5_s_Q3 bmse011405 1 5 1 7.7125 10,11_d_Q2 bmse011405 1 6 1 2.6030 DMSO bmse011405 1 7 1 4.6500 SUP bmse011405 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 7.3176 bmse011405 1 2 2 1 6.8224 bmse011405 1 3 3 1 7.7028 bmse011405 1 4 3 1 7.7028 bmse011405 1 5 4 1 0.0000 bmse011405 1 6 5 1 7.8128 bmse011405 1 7 6 1 1.9532 bmse011405 1 8 7 1 0.0000 bmse011405 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011405 1 2 bmse011405 1 3 bmse011405 1 4 bmse011405 1 5 bmse011405 1 6 bmse011405 1 7 bmse011405 1 8 bmse011405 1 9 bmse011405 1 10 bmse011405 1 11 bmse011405 1 12 bmse011405 1 13 bmse011405 1 14 bmse011405 1 15 bmse011405 1 16 bmse011405 1 17 bmse011405 1 18 bmse011405 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 7.5058 bmse011405 1 2 1 7.5179 bmse011405 1 3 1 7.5302 bmse011405 1 4 1 1.6825 bmse011405 1 5 1 1.6939 bmse011405 1 6 1 7.5806 bmse011405 1 7 1 7.5683 bmse011405 1 8 1 7.5683 bmse011405 1 9 1 7.5549 bmse011405 1 10 1 8.4949 bmse011405 1 11 1 7.7060 bmse011405 1 12 1 7.7190 bmse011405 1 13 1 2.5965 bmse011405 1 14 1 2.6000 bmse011405 1 15 1 2.6031 bmse011405 1 16 1 2.6060 bmse011405 1 17 1 2.6095 bmse011405 1 18 1 4.6500 bmse011405 1 stop_ save_