######################### # 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 bmse011032 _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 bmse011032 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 bmse011032 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011032 1 3 bmse011032 1 6 bmse011032 1 7 bmse011032 1 8 bmse011032 1 9 bmse011032 1 10 bmse011032 1 12 bmse011032 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 7.3934 13_dd_Q1 bmse011032 1 2 1 7.8333 12_ddd_Q2 bmse011032 1 3 1 4.6500 SUP bmse011032 1 4 1 8.4850 8_d_Q3 bmse011032 1 5 1 7.3132 10,11,14,15 bmse011032 1 6 1 2.6031 DMSO bmse011032 1 7 1 8.1992 9_dd bmse011032 1 8 1 7.1401 16_m bmse011032 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 8.4730 bmse011032 1 2 1 1 4.9518 bmse011032 1 3 2 1 8.4455 bmse011032 1 4 2 1 2.3383 bmse011032 1 5 2 1 1.4580 bmse011032 1 6 3 1 0.0000 bmse011032 1 7 4 1 2.4209 bmse011032 1 8 5 1 69.9748 bmse011032 1 9 6 1 1.8156 bmse011032 1 10 7 1 4.8968 bmse011032 1 11 7 1 1.0454 bmse011032 1 12 8 1 4.7317 bmse011032 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011032 1 2 bmse011032 1 3 bmse011032 1 4 bmse011032 1 5 bmse011032 1 6 bmse011032 1 7 bmse011032 1 8 bmse011032 1 9 bmse011032 1 10 bmse011032 1 11 bmse011032 1 12 bmse011032 1 13 bmse011032 1 14 bmse011032 1 15 bmse011032 1 16 bmse011032 1 17 bmse011032 1 18 bmse011032 1 19 bmse011032 1 20 bmse011032 1 21 bmse011032 1 22 bmse011032 1 23 bmse011032 1 24 bmse011032 1 25 bmse011032 1 26 bmse011032 1 27 bmse011032 1 28 bmse011032 1 29 bmse011032 1 30 bmse011032 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 7.4046 bmse011032 1 2 1 7.3963 bmse011032 1 3 1 7.3905 bmse011032 1 4 1 7.3822 bmse011032 1 5 1 7.8435 bmse011032 1 6 1 7.8411 bmse011032 1 7 1 7.8397 bmse011032 1 8 1 7.8373 bmse011032 1 9 1 7.8296 bmse011032 1 10 1 7.8270 bmse011032 1 11 1 7.8255 bmse011032 1 12 1 7.8231 bmse011032 1 13 1 4.6500 bmse011032 1 14 1 8.4830 bmse011032 1 15 1 8.4870 bmse011032 1 16 1 7.3715 bmse011032 1 17 1 7.2549 bmse011032 1 18 1 2.5970 bmse011032 1 19 1 2.6000 bmse011032 1 20 1 2.6029 bmse011032 1 21 1 2.6060 bmse011032 1 22 1 2.6091 bmse011032 1 23 1 8.2041 bmse011032 1 24 1 8.2025 bmse011032 1 25 1 8.1961 bmse011032 1 26 1 8.1942 bmse011032 1 27 1 7.1519 bmse011032 1 28 1 7.1400 bmse011032 1 29 1 7.1305 bmse011032 1 30 1 7.1283 bmse011032 1 stop_ save_