######################### # 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 bmse011196 _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 bmse011196 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 bmse011196 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011196 1 2 bmse011196 1 3 bmse011196 1 4 bmse011196 1 5 bmse011196 1 6 bmse011196 1 7 bmse011196 1 8 bmse011196 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 7.1173 8,9_d_Q2 bmse011196 1 2 1 2.8290 10_sept_Q1 bmse011196 1 3 1 3.6945 15,16_m bmse011196 1 4 1 4.6500 SUP bmse011196 1 5 1 7.2231 11,12_d_Q3 bmse011196 1 6 1 1.1335 17,18_d bmse011196 1 7 1 2.6029 DMSO bmse011196 1 8 1 3.4496 13,14_m bmse011196 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 8.3630 bmse011196 1 2 2 1 6.9325 bmse011196 1 3 3 1 42.4583 bmse011196 1 4 4 1 0.0000 bmse011196 1 5 5 1 8.2530 bmse011196 1 6 6 1 6.9325 bmse011196 1 7 7 1 1.7606 bmse011196 1 8 8 1 40.9795 bmse011196 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011196 1 2 bmse011196 1 3 bmse011196 1 4 bmse011196 1 5 bmse011196 1 6 bmse011196 1 7 bmse011196 1 8 bmse011196 1 9 bmse011196 1 10 bmse011196 1 11 bmse011196 1 12 bmse011196 1 13 bmse011196 1 14 bmse011196 1 15 bmse011196 1 16 bmse011196 1 17 bmse011196 1 18 bmse011196 1 19 bmse011196 1 20 bmse011196 1 21 bmse011196 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 7.1103 bmse011196 1 2 1 7.1242 bmse011196 1 3 1 2.7943 bmse011196 1 4 1 2.8060 bmse011196 1 5 1 2.8176 bmse011196 1 6 1 2.8291 bmse011196 1 7 1 2.8405 bmse011196 1 8 1 2.8522 bmse011196 1 9 1 2.8636 bmse011196 1 10 1 3.7299 bmse011196 1 11 1 3.6592 bmse011196 1 12 1 4.6500 bmse011196 1 13 1 7.2163 bmse011196 1 14 1 7.2300 bmse011196 1 15 1 1.1277 bmse011196 1 16 1 1.1392 bmse011196 1 17 1 2.6058 bmse011196 1 18 1 2.6029 bmse011196 1 19 1 2.6000 bmse011196 1 20 1 3.4837 bmse011196 1 21 1 3.4155 bmse011196 1 stop_ save_