######################### # 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 bmse011392 _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 bmse011392 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 bmse011392 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011392 1 2 bmse011392 1 3 bmse011392 1 5 bmse011392 1 6 bmse011392 1 7 bmse011392 1 8 bmse011392 1 10 bmse011392 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 7.5243 12_m_Q2 bmse011392 1 2 1 4.6500 SUP bmse011392 1 3 1 7.6285 8_dd_Q3 bmse011392 1 4 1 2.8101 10_s bmse011392 1 5 1 3.1172 7_s bmse011392 1 6 1 6.8706 9_d bmse011392 1 7 1 6.7881 11_dd_Q1 bmse011392 1 8 1 2.6029 DMSO bmse011392 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 2.8610 bmse011392 1 2 2 1 0.0000 bmse011392 1 3 3 1 8.0329 bmse011392 1 4 3 1 1.5406 bmse011392 1 5 4 1 0.0000 bmse011392 1 6 5 1 0.0000 bmse011392 1 7 6 1 8.4730 bmse011392 1 8 7 1 7.6477 bmse011392 1 9 7 1 7.6477 bmse011392 1 10 8 1 1.8707 bmse011392 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011392 1 2 bmse011392 1 3 bmse011392 1 4 bmse011392 1 5 bmse011392 1 6 bmse011392 1 7 bmse011392 1 8 bmse011392 1 9 bmse011392 1 10 bmse011392 1 11 bmse011392 1 12 bmse011392 1 13 bmse011392 1 14 bmse011392 1 15 bmse011392 1 16 bmse011392 1 17 bmse011392 1 18 bmse011392 1 19 bmse011392 1 20 bmse011392 1 21 bmse011392 1 22 bmse011392 1 23 bmse011392 1 24 bmse011392 1 25 bmse011392 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 7.5386 bmse011392 1 2 1 7.5360 bmse011392 1 3 1 7.5265 bmse011392 1 4 1 7.5243 bmse011392 1 5 1 7.5221 bmse011392 1 6 1 7.5126 bmse011392 1 7 1 7.5100 bmse011392 1 8 1 4.6500 bmse011392 1 9 1 7.6365 bmse011392 1 10 1 7.6339 bmse011392 1 11 1 7.6231 bmse011392 1 12 1 7.6206 bmse011392 1 13 1 2.8101 bmse011392 1 14 1 3.1172 bmse011392 1 15 1 6.8635 bmse011392 1 16 1 6.8776 bmse011392 1 17 1 6.8008 bmse011392 1 18 1 6.7874 bmse011392 1 19 1 6.7874 bmse011392 1 20 1 6.7753 bmse011392 1 21 1 2.5967 bmse011392 1 22 1 2.5998 bmse011392 1 23 1 2.6029 bmse011392 1 24 1 2.6060 bmse011392 1 25 1 2.6091 bmse011392 1 stop_ save_