######################### # 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 bmse011586 _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 bmse011586 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 bmse011586 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011586 1 2 bmse011586 1 3 bmse011586 1 4 bmse011586 1 5 bmse011586 1 6 bmse011586 1 7 bmse011586 1 8 bmse011586 1 9 bmse011586 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 8.4718 m_1H bmse011586 1 2 1 4.6500 SUP bmse011586 1 3 1 7.9872 m_2H_Q1 bmse011586 1 4 1 7.8226 t_1H bmse011586 1 5 1 2.6025 DMSO bmse011586 1 6 1 8.0643 m_1H bmse011586 1 7 1 1.0689 d_1H bmse011586 1 8 1 1.2439 d_6H bmse011586 1 9 1 7.6702 t_1H bmse011586 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 8.5831 bmse011586 1 2 2 1 0.0000 bmse011586 1 3 3 1 7.3176 bmse011586 1 4 4 1 7.2626 bmse011586 1 5 5 1 0.0000 bmse011586 1 6 6 1 8.4730 bmse011586 1 7 7 1 6.7124 bmse011586 1 8 8 1 6.6024 bmse011586 1 9 9 1 7.3726 bmse011586 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011586 1 2 bmse011586 1 3 bmse011586 1 4 bmse011586 1 5 bmse011586 1 6 bmse011586 1 7 bmse011586 1 8 bmse011586 1 9 bmse011586 1 10 bmse011586 1 11 bmse011586 1 12 bmse011586 1 13 bmse011586 1 14 bmse011586 1 15 bmse011586 1 16 bmse011586 1 17 bmse011586 1 18 bmse011586 1 19 bmse011586 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 8.4647 bmse011586 1 2 1 8.4790 bmse011586 1 3 1 4.6500 bmse011586 1 4 1 7.9993 bmse011586 1 5 1 7.9854 bmse011586 1 6 1 7.9750 bmse011586 1 7 1 7.8105 bmse011586 1 8 1 7.8226 bmse011586 1 9 1 7.8347 bmse011586 1 10 1 2.6025 bmse011586 1 11 1 8.0573 bmse011586 1 12 1 8.0714 bmse011586 1 13 1 1.0633 bmse011586 1 14 1 1.0745 bmse011586 1 15 1 1.2384 bmse011586 1 16 1 1.2494 bmse011586 1 17 1 7.6580 bmse011586 1 18 1 7.6697 bmse011586 1 19 1 7.6825 bmse011586 1 stop_ save_