######################### # 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 bmse011656 _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 bmse011656 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 bmse011656 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011656 1 2 bmse011656 1 3 bmse011656 1 4 bmse011656 1 5 bmse011656 1 6 bmse011656 1 7 bmse011656 1 8 bmse011656 1 9 bmse011656 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 7.0565 d_4H bmse011656 1 2 1 4.6500 SUP bmse011656 1 3 1 3.6673 t_2H_Q1 bmse011656 1 4 1 0.8077 m_4H bmse011656 1 5 1 3.8862 t_2H bmse011656 1 6 1 2.6030 DMSO bmse011656 1 7 1 3.0328 t_2H bmse011656 1 8 1 3.1252 t_2H bmse011656 1 9 1 1.9355 t_1H bmse011656 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 6.2722 bmse011656 1 2 2 1 0.0000 bmse011656 1 3 3 1 5.0068 bmse011656 1 4 4 1 3.1573 bmse011656 1 5 5 1 5.0068 bmse011656 1 6 6 1 1.8982 bmse011656 1 7 7 1 5.0618 bmse011656 1 8 8 1 5.0068 bmse011656 1 9 9 1 8.0329 bmse011656 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011656 1 2 bmse011656 1 3 bmse011656 1 4 bmse011656 1 5 bmse011656 1 6 bmse011656 1 7 bmse011656 1 8 bmse011656 1 9 bmse011656 1 10 bmse011656 1 11 bmse011656 1 12 bmse011656 1 13 bmse011656 1 14 bmse011656 1 15 bmse011656 1 16 bmse011656 1 17 bmse011656 1 18 bmse011656 1 19 bmse011656 1 20 bmse011656 1 21 bmse011656 1 22 bmse011656 1 23 bmse011656 1 24 bmse011656 1 25 bmse011656 1 26 bmse011656 1 27 bmse011656 1 28 bmse011656 1 29 bmse011656 1 30 bmse011656 1 31 bmse011656 1 32 bmse011656 1 33 bmse011656 1 34 bmse011656 1 35 bmse011656 1 36 bmse011656 1 37 bmse011656 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 7.0513 bmse011656 1 2 1 7.0617 bmse011656 1 3 1 4.6500 bmse011656 1 4 1 3.6590 bmse011656 1 5 1 3.6674 bmse011656 1 6 1 3.6757 bmse011656 1 7 1 0.8418 bmse011656 1 8 1 0.8336 bmse011656 1 9 1 0.8292 bmse011656 1 10 1 0.8241 bmse011656 1 11 1 0.8204 bmse011656 1 12 1 0.8156 bmse011656 1 13 1 0.8109 bmse011656 1 14 1 0.8028 bmse011656 1 15 1 0.7995 bmse011656 1 16 1 0.7945 bmse011656 1 17 1 0.7912 bmse011656 1 18 1 0.7867 bmse011656 1 19 1 0.7821 bmse011656 1 20 1 0.7735 bmse011656 1 21 1 3.8779 bmse011656 1 22 1 3.8863 bmse011656 1 23 1 3.8946 bmse011656 1 24 1 2.5967 bmse011656 1 25 1 2.5998 bmse011656 1 26 1 2.6029 bmse011656 1 27 1 2.6060 bmse011656 1 28 1 2.6093 bmse011656 1 29 1 3.0244 bmse011656 1 30 1 3.0328 bmse011656 1 31 1 3.0413 bmse011656 1 32 1 3.1168 bmse011656 1 33 1 3.1251 bmse011656 1 34 1 3.1335 bmse011656 1 35 1 1.9221 bmse011656 1 36 1 1.9355 bmse011656 1 37 1 1.9489 bmse011656 1 stop_ save_