######################### # 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 bmse011054 _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 bmse011054 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 bmse011054 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011054 1 2 bmse011054 1 4 bmse011054 1 5 bmse011054 1 6 bmse011054 1 7 bmse011054 1 8 bmse011054 1 9 bmse011054 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 6.7535 12,13_d bmse011054 1 2 1 6.8816 16_dd_Q1 bmse011054 1 3 1 7.7578 17_m_Q3 bmse011054 1 4 1 4.6500 SUP bmse011054 1 5 1 7.0719 15_d_Q2 bmse011054 1 6 1 7.6006 8,9_d bmse011054 1 7 1 2.6025 DMSO bmse011054 1 8 1 7.8205 14_d bmse011054 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 8.8031 bmse011054 1 2 2 1 6.7674 bmse011054 1 3 2 1 6.7674 bmse011054 1 4 3 1 4.4291 bmse011054 1 5 4 1 0.0000 bmse011054 1 6 5 1 8.9132 bmse011054 1 7 6 1 8.8031 bmse011054 1 8 7 1 0.0000 bmse011054 1 9 8 1 6.2722 bmse011054 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011054 1 2 bmse011054 1 3 bmse011054 1 4 bmse011054 1 5 bmse011054 1 6 bmse011054 1 7 bmse011054 1 8 bmse011054 1 9 bmse011054 1 10 bmse011054 1 11 bmse011054 1 12 bmse011054 1 13 bmse011054 1 14 bmse011054 1 15 bmse011054 1 16 bmse011054 1 17 bmse011054 1 18 bmse011054 1 19 bmse011054 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 6.7462 bmse011054 1 2 1 6.7608 bmse011054 1 3 1 6.8928 bmse011054 1 4 1 6.8817 bmse011054 1 5 1 6.8817 bmse011054 1 6 1 6.8703 bmse011054 1 7 1 7.7725 bmse011054 1 8 1 7.7700 bmse011054 1 9 1 7.7577 bmse011054 1 10 1 7.7456 bmse011054 1 11 1 7.7430 bmse011054 1 12 1 4.6500 bmse011054 1 13 1 7.0645 bmse011054 1 14 1 7.0793 bmse011054 1 15 1 7.5932 bmse011054 1 16 1 7.6079 bmse011054 1 17 1 2.6025 bmse011054 1 18 1 7.8153 bmse011054 1 19 1 7.8257 bmse011054 1 stop_ save_