######################### # 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 bmse011170 _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 bmse011170 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 bmse011170 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011170 1 2 bmse011170 1 3 bmse011170 1 4 bmse011170 1 6 bmse011170 1 7 bmse011170 1 9 bmse011170 1 11 bmse011170 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 4.6500 SUP bmse011170 1 2 1 3.1245 12_s_Q2 bmse011170 1 3 1 1.1628 14_t_Q1 bmse011170 1 4 1 6.8725 9_dd_Q3 bmse011170 1 5 1 3.1985 13_q bmse011170 1 6 1 7.5297 8_dd bmse011170 1 7 1 7.4770 3_dd bmse011170 1 8 1 2.6023 DMSO bmse011170 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 0.0000 bmse011170 1 2 2 1 0.0000 bmse011170 1 3 3 1 7.2076 bmse011170 1 4 4 1 8.4730 bmse011170 1 5 4 1 8.4730 bmse011170 1 6 5 1 7.2259 bmse011170 1 7 6 1 8.5280 bmse011170 1 8 6 1 1.9257 bmse011170 1 9 7 1 11.2790 bmse011170 1 10 7 1 1.9257 bmse011170 1 11 8 1 1.9257 bmse011170 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011170 1 2 bmse011170 1 3 bmse011170 1 4 bmse011170 1 5 bmse011170 1 6 bmse011170 1 7 bmse011170 1 8 bmse011170 1 9 bmse011170 1 10 bmse011170 1 11 bmse011170 1 12 bmse011170 1 13 bmse011170 1 14 bmse011170 1 15 bmse011170 1 16 bmse011170 1 17 bmse011170 1 18 bmse011170 1 19 bmse011170 1 20 bmse011170 1 21 bmse011170 1 22 bmse011170 1 23 bmse011170 1 24 bmse011170 1 25 bmse011170 1 26 bmse011170 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 4.6500 bmse011170 1 2 1 3.1245 bmse011170 1 3 1 1.1508 bmse011170 1 4 1 1.1629 bmse011170 1 5 1 1.1748 bmse011170 1 6 1 6.8866 bmse011170 1 7 1 6.8725 bmse011170 1 8 1 6.8725 bmse011170 1 9 1 6.8584 bmse011170 1 10 1 3.1804 bmse011170 1 11 1 3.1925 bmse011170 1 12 1 3.2043 bmse011170 1 13 1 3.2166 bmse011170 1 14 1 7.5384 bmse011170 1 15 1 7.5353 bmse011170 1 16 1 7.5243 bmse011170 1 17 1 7.5210 bmse011170 1 18 1 7.4880 bmse011170 1 19 1 7.4849 bmse011170 1 20 1 7.4693 bmse011170 1 21 1 7.4660 bmse011170 1 22 1 2.5959 bmse011170 1 23 1 2.5998 bmse011170 1 24 1 2.6025 bmse011170 1 25 1 2.6053 bmse011170 1 26 1 2.6088 bmse011170 1 stop_ save_