######################### # 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 bmse011628 _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 bmse011628 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 bmse011628 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011628 1 2 bmse011628 1 3 bmse011628 1 4 bmse011628 1 5 bmse011628 1 6 bmse011628 1 7 bmse011628 1 8 bmse011628 1 9 bmse011628 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 2.2466 5_m_Q1 bmse011628 1 2 1 3.4908 8_m_Q2 bmse011628 1 3 1 7.4467 10,11_m bmse011628 1 4 1 3.2402 2_d bmse011628 1 5 1 2.6015 DMSO_4_m bmse011628 1 6 1 3.3523 3_m bmse011628 1 7 1 4.6500 SUP bmse011628 1 8 1 1.9761 5_m bmse011628 1 9 1 7.4060 12,13_d_Q3 bmse011628 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 5.3290 bmse011628 1 2 2 1 7.0700 bmse011628 1 3 3 1 4.1815 bmse011628 1 4 4 1 12.5445 bmse011628 1 5 5 1 52.7139 bmse011628 1 6 6 1 88.9668 bmse011628 1 7 7 1 0.0000 bmse011628 1 8 8 1 2.6519 bmse011628 1 9 9 1 8.5831 bmse011628 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011628 1 2 bmse011628 1 3 bmse011628 1 4 bmse011628 1 5 bmse011628 1 6 bmse011628 1 7 bmse011628 1 8 bmse011628 1 9 bmse011628 1 10 bmse011628 1 11 bmse011628 1 12 bmse011628 1 13 bmse011628 1 14 bmse011628 1 15 bmse011628 1 16 bmse011628 1 17 bmse011628 1 18 bmse011628 1 19 bmse011628 1 20 bmse011628 1 21 bmse011628 1 22 bmse011628 1 23 bmse011628 1 24 bmse011628 1 25 bmse011628 1 26 bmse011628 1 27 bmse011628 1 28 bmse011628 1 29 bmse011628 1 30 bmse011628 1 31 bmse011628 1 32 bmse011628 1 33 bmse011628 1 34 bmse011628 1 35 bmse011628 1 36 bmse011628 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 2.2776 bmse011628 1 2 1 2.2628 bmse011628 1 3 1 2.2538 bmse011628 1 4 1 2.2450 bmse011628 1 5 1 2.2391 bmse011628 1 6 1 2.2301 bmse011628 1 7 1 2.2246 bmse011628 1 8 1 2.2155 bmse011628 1 9 1 3.5143 bmse011628 1 10 1 3.4995 bmse011628 1 11 1 3.4954 bmse011628 1 12 1 3.4815 bmse011628 1 13 1 3.4672 bmse011628 1 14 1 7.4537 bmse011628 1 15 1 7.4431 bmse011628 1 16 1 7.4398 bmse011628 1 17 1 3.2298 bmse011628 1 18 1 3.2507 bmse011628 1 19 1 2.6455 bmse011628 1 20 1 2.5576 bmse011628 1 21 1 3.4264 bmse011628 1 22 1 3.2782 bmse011628 1 23 1 4.6500 bmse011628 1 24 1 1.9982 bmse011628 1 25 1 1.9942 bmse011628 1 26 1 1.9868 bmse011628 1 27 1 1.9857 bmse011628 1 28 1 1.9817 bmse011628 1 29 1 1.9773 bmse011628 1 30 1 1.9751 bmse011628 1 31 1 1.9740 bmse011628 1 32 1 1.9656 bmse011628 1 33 1 1.9579 bmse011628 1 34 1 1.9540 bmse011628 1 35 1 7.3989 bmse011628 1 36 1 7.4132 bmse011628 1 stop_ save_