######################### # 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 bmse011189 _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 bmse011189 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 bmse011189 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011189 1 2 bmse011189 1 3 bmse011189 1 5 bmse011189 1 7 bmse011189 1 8 bmse011189 1 9 bmse011189 1 10 bmse011189 1 11 bmse011189 1 12 bmse011189 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 7.8140 14_d bmse011189 1 2 1 4.6500 SUP bmse011189 1 3 1 7.5764 15_dd_Q3 bmse011189 1 4 1 6.6191 12_dd bmse011189 1 5 1 2.8087 16_d bmse011189 1 6 1 7.5314 17_m_Q2 bmse011189 1 7 1 7.6945 11_d bmse011189 1 8 1 2.6032 DMSO bmse011189 1 9 1 7.2199 9_d bmse011189 1 10 1 7.2911 18_m_Q1 bmse011189 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 7.9228 bmse011189 1 2 2 1 0.0000 bmse011189 1 3 3 1 7.7578 bmse011189 1 4 3 1 1.2655 bmse011189 1 5 4 1 3.5763 bmse011189 1 6 4 1 1.7056 bmse011189 1 7 5 1 4.7317 bmse011189 1 8 6 1 3.3892 bmse011189 1 9 7 1 1.2104 bmse011189 1 10 8 1 1.8432 bmse011189 1 11 9 1 3.5213 bmse011189 1 12 10 1 3.2131 bmse011189 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011189 1 2 bmse011189 1 3 bmse011189 1 4 bmse011189 1 5 bmse011189 1 6 bmse011189 1 7 bmse011189 1 8 bmse011189 1 9 bmse011189 1 10 bmse011189 1 11 bmse011189 1 12 bmse011189 1 13 bmse011189 1 14 bmse011189 1 15 bmse011189 1 16 bmse011189 1 17 bmse011189 1 18 bmse011189 1 19 bmse011189 1 20 bmse011189 1 21 bmse011189 1 22 bmse011189 1 23 bmse011189 1 24 bmse011189 1 25 bmse011189 1 26 bmse011189 1 27 bmse011189 1 28 bmse011189 1 29 bmse011189 1 30 bmse011189 1 31 bmse011189 1 32 bmse011189 1 33 bmse011189 1 34 bmse011189 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 7.8074 bmse011189 1 2 1 7.8206 bmse011189 1 3 1 4.6500 bmse011189 1 4 1 7.5839 bmse011189 1 5 1 7.5817 bmse011189 1 6 1 7.5709 bmse011189 1 7 1 7.5688 bmse011189 1 8 1 6.6235 bmse011189 1 9 1 6.6206 bmse011189 1 10 1 6.6175 bmse011189 1 11 1 6.6147 bmse011189 1 12 1 2.8048 bmse011189 1 13 1 2.8126 bmse011189 1 14 1 7.5456 bmse011189 1 15 1 7.5432 bmse011189 1 16 1 7.5329 bmse011189 1 17 1 7.5307 bmse011189 1 18 1 7.5197 bmse011189 1 19 1 7.5173 bmse011189 1 20 1 7.6935 bmse011189 1 21 1 7.6955 bmse011189 1 22 1 2.5970 bmse011189 1 23 1 2.6000 bmse011189 1 24 1 2.6031 bmse011189 1 25 1 2.6062 bmse011189 1 26 1 2.6093 bmse011189 1 27 1 7.2170 bmse011189 1 28 1 7.2229 bmse011189 1 29 1 7.3045 bmse011189 1 30 1 7.3030 bmse011189 1 31 1 7.2916 bmse011189 1 32 1 7.2903 bmse011189 1 33 1 7.2792 bmse011189 1 34 1 7.2777 bmse011189 1 stop_ save_