######################### # 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 bmse011397 _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 bmse011397 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 bmse011397 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011397 1 2 bmse011397 1 3 bmse011397 1 4 bmse011397 1 5 bmse011397 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 bmse011397 1 2 1 7.5625 7,8_m_Q1 bmse011397 1 3 1 8.3488 4_s_Q3 bmse011397 1 4 1 7.6907 11,12_m_Q2 bmse011397 1 5 1 2.6026 DMSO bmse011397 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 bmse011397 1 2 2 1 2.9270 bmse011397 1 3 3 1 0.0000 bmse011397 1 4 4 1 2.8610 bmse011397 1 5 5 1 1.9532 bmse011397 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011397 1 2 bmse011397 1 3 bmse011397 1 4 bmse011397 1 5 bmse011397 1 6 bmse011397 1 7 bmse011397 1 8 bmse011397 1 9 bmse011397 1 10 bmse011397 1 11 bmse011397 1 12 bmse011397 1 13 bmse011397 1 14 bmse011397 1 15 bmse011397 1 16 bmse011397 1 17 bmse011397 1 18 bmse011397 1 19 bmse011397 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 bmse011397 1 2 1 7.5500 bmse011397 1 3 1 7.5553 bmse011397 1 4 1 7.5588 bmse011397 1 5 1 7.5659 bmse011397 1 6 1 7.5698 bmse011397 1 7 1 7.5743 bmse011397 1 8 1 8.3488 bmse011397 1 9 1 7.6789 bmse011397 1 10 1 7.6834 bmse011397 1 11 1 7.6873 bmse011397 1 12 1 7.6943 bmse011397 1 13 1 7.6979 bmse011397 1 14 1 7.7027 bmse011397 1 15 1 2.5961 bmse011397 1 16 1 2.6000 bmse011397 1 17 1 2.6027 bmse011397 1 18 1 2.6058 bmse011397 1 19 1 2.6091 bmse011397 1 stop_ save_