######################### # 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 bmse011040 _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 bmse011040 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 bmse011040 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011040 1 2 bmse011040 1 3 bmse011040 1 4 bmse011040 1 5 bmse011040 1 6 bmse011040 1 7 bmse011040 1 8 bmse011040 1 9 bmse011040 1 10 bmse011040 1 11 bmse011040 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 3.8278 s_6H bmse011040 1 2 1 1.0921 t_2H_Q1 bmse011040 1 3 1 7.6873 d_2H bmse011040 1 4 1 7.6471 d_2H bmse011040 1 5 1 1.8231 m_2H bmse011040 1 6 1 0.9278 m_9H bmse011040 1 7 1 3.5675 q_1H bmse011040 1 8 1 2.6025 DMSO bmse011040 1 9 1 2.7160 Imp2 bmse011040 1 10 1 2.4845 Imp1 bmse011040 1 11 1 3.2692 s_2H bmse011040 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 bmse011040 1 2 2 1 7.0425 bmse011040 1 3 3 1 5.2819 bmse011040 1 4 4 1 5.5020 bmse011040 1 5 5 1 4.1815 bmse011040 1 6 6 1 6.0522 bmse011040 1 7 7 1 7.1892 bmse011040 1 8 8 1 0.0000 bmse011040 1 9 9 1 0.0000 bmse011040 1 10 10 1 0.0000 bmse011040 1 11 11 1 0.0000 bmse011040 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011040 1 2 bmse011040 1 3 bmse011040 1 4 bmse011040 1 5 bmse011040 1 6 bmse011040 1 7 bmse011040 1 8 bmse011040 1 9 bmse011040 1 10 bmse011040 1 11 bmse011040 1 12 bmse011040 1 13 bmse011040 1 14 bmse011040 1 15 bmse011040 1 16 bmse011040 1 17 bmse011040 1 18 bmse011040 1 19 bmse011040 1 20 bmse011040 1 21 bmse011040 1 22 bmse011040 1 23 bmse011040 1 24 bmse011040 1 25 bmse011040 1 26 bmse011040 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 3.8278 bmse011040 1 2 1 1.0804 bmse011040 1 3 1 1.0921 bmse011040 1 4 1 1.1038 bmse011040 1 5 1 7.6829 bmse011040 1 6 1 7.6917 bmse011040 1 7 1 7.6426 bmse011040 1 8 1 7.6517 bmse011040 1 9 1 1.8440 bmse011040 1 10 1 1.8358 bmse011040 1 11 1 1.8310 bmse011040 1 12 1 1.8226 bmse011040 1 13 1 1.8180 bmse011040 1 14 1 1.8105 bmse011040 1 15 1 1.8022 bmse011040 1 16 1 0.9379 bmse011040 1 17 1 0.9242 bmse011040 1 18 1 0.9178 bmse011040 1 19 1 3.5495 bmse011040 1 20 1 3.5614 bmse011040 1 21 1 3.5733 bmse011040 1 22 1 3.5855 bmse011040 1 23 1 2.6025 bmse011040 1 24 1 2.7160 bmse011040 1 25 1 2.4845 bmse011040 1 26 1 3.2692 bmse011040 1 stop_ save_