######################### # 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 bmse011745 _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 bmse011745 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 bmse011745 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011745 1 2 bmse011745 1 3 bmse011745 1 5 bmse011745 1 6 bmse011745 1 8 bmse011745 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 bmse011745 1 2 1 2.1379 14_s_Q1 bmse011745 1 3 1 7.9201 5_dd bmse011745 1 4 1 2.6030 DMSO bmse011745 1 5 1 7.1822 11_dd_Q2 bmse011745 1 6 1 7.6886 9_ddd_Q3 bmse011745 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 bmse011745 1 2 2 1 0.0000 bmse011745 1 3 3 1 7.4827 bmse011745 1 4 3 1 1.9807 bmse011745 1 5 4 1 1.9532 bmse011745 1 6 5 1 10.1236 bmse011745 1 7 5 1 8.8031 bmse011745 1 8 6 1 8.5005 bmse011745 1 9 6 1 4.9793 bmse011745 1 10 6 1 2.2283 bmse011745 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011745 1 2 bmse011745 1 3 bmse011745 1 4 bmse011745 1 5 bmse011745 1 6 bmse011745 1 7 bmse011745 1 8 bmse011745 1 9 bmse011745 1 10 bmse011745 1 11 bmse011745 1 12 bmse011745 1 13 bmse011745 1 14 bmse011745 1 15 bmse011745 1 16 bmse011745 1 17 bmse011745 1 18 bmse011745 1 19 bmse011745 1 20 bmse011745 1 21 bmse011745 1 22 bmse011745 1 23 bmse011745 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 bmse011745 1 2 1 2.1379 bmse011745 1 3 1 7.9280 bmse011745 1 4 1 7.9247 bmse011745 1 5 1 7.9156 bmse011745 1 6 1 7.9123 bmse011745 1 7 1 2.5965 bmse011745 1 8 1 2.6000 bmse011745 1 9 1 2.6031 bmse011745 1 10 1 2.6060 bmse011745 1 11 1 2.6095 bmse011745 1 12 1 7.1979 bmse011745 1 13 1 7.1833 bmse011745 1 14 1 7.1811 bmse011745 1 15 1 7.1664 bmse011745 1 16 1 7.7016 bmse011745 1 17 1 7.6981 bmse011745 1 18 1 7.6935 bmse011745 1 19 1 7.6897 bmse011745 1 20 1 7.6877 bmse011745 1 21 1 7.6838 bmse011745 1 22 1 7.6792 bmse011745 1 23 1 7.6756 bmse011745 1 stop_ save_