######################### # 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 bmse011759 _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 bmse011759 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 bmse011759 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011759 1 2 bmse011759 1 3 bmse011759 1 4 bmse011759 1 5 bmse011759 1 6 bmse011759 1 7 bmse011759 1 9 bmse011759 1 10 bmse011759 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 8.5608 d_2H_Q1 bmse011759 1 2 1 0.6373 t_3H bmse011759 1 3 1 4.6500 SUP bmse011759 1 4 1 4.1179 t_1H bmse011759 1 5 1 6.5210 d_1H bmse011759 1 6 1 7.5067 m_2H bmse011759 1 7 1 1.6568 dd_2H bmse011759 1 8 1 2.6029 DMSO bmse011759 1 9 1 7.5873 d_1H bmse011759 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 6.1622 bmse011759 1 2 2 1 7.4277 bmse011759 1 3 3 1 0.0000 bmse011759 1 4 4 1 7.1526 bmse011759 1 5 5 1 1.9807 bmse011759 1 6 6 1 2.0541 bmse011759 1 7 7 1 14.6352 bmse011759 1 8 7 1 7.3726 bmse011759 1 9 8 1 1.8707 bmse011759 1 10 9 1 1.8707 bmse011759 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011759 1 2 bmse011759 1 3 bmse011759 1 4 bmse011759 1 5 bmse011759 1 6 bmse011759 1 7 bmse011759 1 8 bmse011759 1 9 bmse011759 1 10 bmse011759 1 11 bmse011759 1 12 bmse011759 1 13 bmse011759 1 14 bmse011759 1 15 bmse011759 1 16 bmse011759 1 17 bmse011759 1 18 bmse011759 1 19 bmse011759 1 20 bmse011759 1 21 bmse011759 1 22 bmse011759 1 23 bmse011759 1 24 bmse011759 1 25 bmse011759 1 26 bmse011759 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 8.5556 bmse011759 1 2 1 8.5659 bmse011759 1 3 1 0.6249 bmse011759 1 4 1 0.6374 bmse011759 1 5 1 0.6497 bmse011759 1 6 1 4.6500 bmse011759 1 7 1 4.1060 bmse011759 1 8 1 4.1181 bmse011759 1 9 1 4.1298 bmse011759 1 10 1 6.5194 bmse011759 1 11 1 6.5227 bmse011759 1 12 1 7.5118 bmse011759 1 13 1 7.5093 bmse011759 1 14 1 7.5041 bmse011759 1 15 1 7.5016 bmse011759 1 16 1 1.6752 bmse011759 1 17 1 1.6629 bmse011759 1 18 1 1.6508 bmse011759 1 19 1 1.6385 bmse011759 1 20 1 2.5967 bmse011759 1 21 1 2.5996 bmse011759 1 22 1 2.6027 bmse011759 1 23 1 2.6056 bmse011759 1 24 1 2.6091 bmse011759 1 25 1 7.5857 bmse011759 1 26 1 7.5888 bmse011759 1 stop_ save_