######################### # 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 bmse011601 _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 bmse011601 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 bmse011601 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011601 1 2 bmse011601 1 3 bmse011601 1 5 bmse011601 1 6 bmse011601 1 7 bmse011601 1 8 bmse011601 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 bmse011601 1 2 1 2.6028 DMSO bmse011601 1 3 1 3.2584 dd_1H bmse011601 1 4 1 3.4660 sept_1H bmse011601 1 5 1 2.9128 sept_1H_Q1 bmse011601 1 6 1 0.9995 d_6H bmse011601 1 7 1 1.2647 d_6H bmse011601 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 bmse011601 1 2 2 1 2.0082 bmse011601 1 3 3 1 13.5537 bmse011601 1 4 3 1 10.3625 bmse011601 1 5 4 1 6.6941 bmse011601 1 6 5 1 6.7858 bmse011601 1 7 6 1 6.8224 bmse011601 1 8 7 1 6.7124 bmse011601 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011601 1 2 bmse011601 1 3 bmse011601 1 4 bmse011601 1 5 bmse011601 1 6 bmse011601 1 7 bmse011601 1 8 bmse011601 1 9 bmse011601 1 10 bmse011601 1 11 bmse011601 1 12 bmse011601 1 13 bmse011601 1 14 bmse011601 1 15 bmse011601 1 16 bmse011601 1 17 bmse011601 1 18 bmse011601 1 19 bmse011601 1 20 bmse011601 1 21 bmse011601 1 22 bmse011601 1 23 bmse011601 1 24 bmse011601 1 25 bmse011601 1 26 bmse011601 1 27 bmse011601 1 28 bmse011601 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 bmse011601 1 2 1 2.5961 bmse011601 1 3 1 2.6000 bmse011601 1 4 1 2.6027 bmse011601 1 5 1 2.6060 bmse011601 1 6 1 2.6095 bmse011601 1 7 1 3.2783 bmse011601 1 8 1 3.2613 bmse011601 1 9 1 3.2560 bmse011601 1 10 1 3.2385 bmse011601 1 11 1 3.4325 bmse011601 1 12 1 3.4437 bmse011601 1 13 1 3.4549 bmse011601 1 14 1 3.4659 bmse011601 1 15 1 3.4771 bmse011601 1 16 1 3.4881 bmse011601 1 17 1 3.4995 bmse011601 1 18 1 2.8788 bmse011601 1 19 1 2.8902 bmse011601 1 20 1 2.9016 bmse011601 1 21 1 2.9129 bmse011601 1 22 1 2.9243 bmse011601 1 23 1 2.9357 bmse011601 1 24 1 2.9467 bmse011601 1 25 1 0.9938 bmse011601 1 26 1 1.0052 bmse011601 1 27 1 1.2591 bmse011601 1 28 1 1.2703 bmse011601 1 stop_ save_