######################### # 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 bmse011272 _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 bmse011272 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 bmse011272 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011272 1 2 bmse011272 1 3 bmse011272 1 5 bmse011272 1 6 bmse011272 1 7 bmse011272 1 8 bmse011272 1 9 bmse011272 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 2.6036 DMSO bmse011272 1 2 1 1.1756 6,8,9,10,11 bmse011272 1 3 1 2.8711 2_dd_Q2 bmse011272 1 4 1 3.0424 3,5_m_Q3 bmse011272 1 5 1 4.6500 SUP bmse011272 1 6 1 1.7384 9,10_m bmse011272 1 7 1 1.9957 6,7_m_Q1 bmse011272 1 8 1 1.5831 7_dd bmse011272 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 1.8707 bmse011272 1 2 2 1 207.6168 bmse011272 1 3 3 1 12.7095 bmse011272 1 4 3 1 9.7385 bmse011272 1 5 4 1 84.3226 bmse011272 1 6 5 1 0.0000 bmse011272 1 7 6 1 103.5250 bmse011272 1 8 7 1 112.6676 bmse011272 1 9 8 1 13.4798 bmse011272 1 10 8 1 3.2462 bmse011272 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011272 1 2 bmse011272 1 3 bmse011272 1 4 bmse011272 1 5 bmse011272 1 6 bmse011272 1 7 bmse011272 1 8 bmse011272 1 9 bmse011272 1 10 bmse011272 1 11 bmse011272 1 12 bmse011272 1 13 bmse011272 1 14 bmse011272 1 15 bmse011272 1 16 bmse011272 1 17 bmse011272 1 18 bmse011272 1 19 bmse011272 1 20 bmse011272 1 21 bmse011272 1 22 bmse011272 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 2.5974 bmse011272 1 2 1 2.6003 bmse011272 1 3 1 2.6034 bmse011272 1 4 1 2.6064 bmse011272 1 5 1 2.6099 bmse011272 1 6 1 1.3485 bmse011272 1 7 1 1.0026 bmse011272 1 8 1 2.8898 bmse011272 1 9 1 2.8737 bmse011272 1 10 1 2.8687 bmse011272 1 11 1 2.8524 bmse011272 1 12 1 3.1126 bmse011272 1 13 1 2.9721 bmse011272 1 14 1 4.6500 bmse011272 1 15 1 1.8247 bmse011272 1 16 1 1.6522 bmse011272 1 17 1 2.0896 bmse011272 1 18 1 1.9019 bmse011272 1 19 1 1.5971 bmse011272 1 20 1 1.5917 bmse011272 1 21 1 1.5747 bmse011272 1 22 1 1.5692 bmse011272 1 stop_ save_