######################### # 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 bmse011026 _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 bmse011026 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 bmse011026 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011026 1 2 bmse011026 1 3 bmse011026 1 4 bmse011026 1 5 bmse011026 1 6 bmse011026 1 7 bmse011026 1 8 bmse011026 1 9 bmse011026 1 10 bmse011026 1 11 bmse011026 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 bmse011026 1 2 1 2.4848 Imp1 bmse011026 1 3 1 8.1259 s_1H bmse011026 1 4 1 6.2301 d_1H bmse011026 1 5 1 2.7184 Imp2 bmse011026 1 6 1 6.3468 t_1H bmse011026 1 7 1 6.6430 t_1H bmse011026 1 8 1 2.6025 DMSO bmse011026 1 9 1 7.3914 s_1H_Q1 bmse011026 1 10 1 7.0310 t_3H bmse011026 1 11 1 7.1912 dd_3H bmse011026 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 bmse011026 1 2 2 1 0.0000 bmse011026 1 3 3 1 0.0000 bmse011026 1 4 4 1 3.1911 bmse011026 1 5 5 1 0.0000 bmse011026 1 6 6 1 2.3108 bmse011026 1 7 7 1 5.5570 bmse011026 1 8 8 1 0.0000 bmse011026 1 9 9 1 0.0000 bmse011026 1 10 10 1 8.7481 bmse011026 1 11 11 1 8.7481 bmse011026 1 12 11 1 4.8968 bmse011026 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011026 1 2 bmse011026 1 3 bmse011026 1 4 bmse011026 1 5 bmse011026 1 6 bmse011026 1 7 bmse011026 1 8 bmse011026 1 9 bmse011026 1 10 bmse011026 1 11 bmse011026 1 12 bmse011026 1 13 bmse011026 1 14 bmse011026 1 15 bmse011026 1 16 bmse011026 1 17 bmse011026 1 18 bmse011026 1 19 bmse011026 1 20 bmse011026 1 21 bmse011026 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 bmse011026 1 2 1 2.4848 bmse011026 1 3 1 8.1259 bmse011026 1 4 1 6.2275 bmse011026 1 5 1 6.2328 bmse011026 1 6 1 2.7184 bmse011026 1 7 1 6.3430 bmse011026 1 8 1 6.3470 bmse011026 1 9 1 6.3507 bmse011026 1 10 1 6.6338 bmse011026 1 11 1 6.6437 bmse011026 1 12 1 6.6523 bmse011026 1 13 1 2.6025 bmse011026 1 14 1 7.3914 bmse011026 1 15 1 7.0164 bmse011026 1 16 1 7.0311 bmse011026 1 17 1 7.0456 bmse011026 1 18 1 7.2025 bmse011026 1 19 1 7.1943 bmse011026 1 20 1 7.1879 bmse011026 1 21 1 7.1798 bmse011026 1 stop_ save_