######################### # 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 bmse011664 _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 bmse011664 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 bmse011664 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011664 1 2 bmse011664 1 3 bmse011664 1 4 bmse011664 1 5 bmse011664 1 6 bmse011664 1 7 bmse011664 1 8 bmse011664 1 9 bmse011664 1 10 bmse011664 1 12 bmse011664 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 1.8108 7,11_m bmse011664 1 2 1 3.7010 4_d bmse011664 1 3 1 7.2008 13,14,18_m bmse011664 1 4 1 0.8275 15_d_Q1 bmse011664 1 5 1 0.9543 6,7_m bmse011664 1 6 1 2.3347 8_m_Q3 bmse011664 1 7 1 2.9590 12_m bmse011664 1 8 1 4.6500 SUP bmse011664 1 9 1 1.6107 6,9,11_m_Q2 bmse011664 1 10 1 7.2934 16,17_dd bmse011664 1 11 1 2.5910 DMSO_12_m bmse011664 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 55.9528 bmse011664 1 2 2 1 15.4055 bmse011664 1 3 3 1 60.7090 bmse011664 1 4 4 1 6.4923 bmse011664 1 5 5 1 101.4257 bmse011664 1 6 6 1 7.2626 bmse011664 1 7 7 1 5.7661 bmse011664 1 8 8 1 0.0000 bmse011664 1 9 9 1 152.0674 bmse011664 1 10 10 1 7.5377 bmse011664 1 11 10 1 7.5377 bmse011664 1 12 11 1 78.8777 bmse011664 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011664 1 2 bmse011664 1 3 bmse011664 1 4 bmse011664 1 5 bmse011664 1 6 bmse011664 1 7 bmse011664 1 8 bmse011664 1 9 bmse011664 1 10 bmse011664 1 11 bmse011664 1 12 bmse011664 1 13 bmse011664 1 14 bmse011664 1 15 bmse011664 1 16 bmse011664 1 17 bmse011664 1 18 bmse011664 1 19 bmse011664 1 20 bmse011664 1 21 bmse011664 1 22 bmse011664 1 23 bmse011664 1 24 bmse011664 1 25 bmse011664 1 26 bmse011664 1 27 bmse011664 1 28 bmse011664 1 29 bmse011664 1 30 bmse011664 1 31 bmse011664 1 32 bmse011664 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 1.8574 bmse011664 1 2 1 1.7642 bmse011664 1 3 1 3.6881 bmse011664 1 4 1 3.7138 bmse011664 1 5 1 7.2513 bmse011664 1 6 1 7.1502 bmse011664 1 7 1 0.8220 bmse011664 1 8 1 0.8329 bmse011664 1 9 1 1.0388 bmse011664 1 10 1 0.8698 bmse011664 1 11 1 2.3710 bmse011664 1 12 1 2.3592 bmse011664 1 13 1 2.3468 bmse011664 1 14 1 2.3347 bmse011664 1 15 1 2.3227 bmse011664 1 16 1 2.3103 bmse011664 1 17 1 2.2984 bmse011664 1 18 1 2.9830 bmse011664 1 19 1 2.9789 bmse011664 1 20 1 2.9606 bmse011664 1 21 1 2.9571 bmse011664 1 22 1 2.9393 bmse011664 1 23 1 2.9349 bmse011664 1 24 1 4.6500 bmse011664 1 25 1 1.7374 bmse011664 1 26 1 1.4841 bmse011664 1 27 1 7.3059 bmse011664 1 28 1 7.2935 bmse011664 1 29 1 7.2935 bmse011664 1 30 1 7.2808 bmse011664 1 31 1 2.6567 bmse011664 1 32 1 2.5253 bmse011664 1 stop_ save_