######################### # 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 bmse011766 _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 bmse011766 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 bmse011766 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011766 1 2 bmse011766 1 3 bmse011766 1 5 bmse011766 1 6 bmse011766 1 7 bmse011766 1 8 bmse011766 1 9 bmse011766 1 10 bmse011766 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 3.7684 17_s_Q2 bmse011766 1 2 1 2.7376 6_m bmse011766 1 3 1 3.9045 4_dd bmse011766 1 4 1 3.4093 4_m_Q1 bmse011766 1 5 1 2.6029 DMSO bmse011766 1 6 1 6.9850 14,15_m bmse011766 1 7 1 7.2987 10,11_m_Q3 bmse011766 1 8 1 4.6500 SUP bmse011766 1 9 1 2.8537 6_m bmse011766 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 bmse011766 1 2 2 1 7.9595 bmse011766 1 3 3 1 10.2887 bmse011766 1 4 3 1 5.7771 bmse011766 1 5 4 1 3.8376 bmse011766 1 6 5 1 1.9807 bmse011766 1 7 6 1 3.1691 bmse011766 1 8 7 1 3.1691 bmse011766 1 9 8 1 0.0000 bmse011766 1 10 9 1 8.9499 bmse011766 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011766 1 2 bmse011766 1 3 bmse011766 1 4 bmse011766 1 5 bmse011766 1 6 bmse011766 1 7 bmse011766 1 8 bmse011766 1 9 bmse011766 1 10 bmse011766 1 11 bmse011766 1 12 bmse011766 1 13 bmse011766 1 14 bmse011766 1 15 bmse011766 1 16 bmse011766 1 17 bmse011766 1 18 bmse011766 1 19 bmse011766 1 20 bmse011766 1 21 bmse011766 1 22 bmse011766 1 23 bmse011766 1 24 bmse011766 1 25 bmse011766 1 26 bmse011766 1 27 bmse011766 1 28 bmse011766 1 29 bmse011766 1 30 bmse011766 1 31 bmse011766 1 32 bmse011766 1 33 bmse011766 1 34 bmse011766 1 35 bmse011766 1 36 bmse011766 1 37 bmse011766 1 38 bmse011766 1 39 bmse011766 1 40 bmse011766 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 3.7684 bmse011766 1 2 1 2.7575 bmse011766 1 3 1 2.7466 bmse011766 1 4 1 2.7287 bmse011766 1 5 1 2.7177 bmse011766 1 6 1 3.9179 bmse011766 1 7 1 3.9083 bmse011766 1 8 1 3.9008 bmse011766 1 9 1 3.8911 bmse011766 1 10 1 3.4349 bmse011766 1 11 1 3.4247 bmse011766 1 12 1 3.4197 bmse011766 1 13 1 3.4146 bmse011766 1 14 1 3.4094 bmse011766 1 15 1 3.4043 bmse011766 1 16 1 3.3992 bmse011766 1 17 1 3.3940 bmse011766 1 18 1 3.3838 bmse011766 1 19 1 2.5963 bmse011766 1 20 1 2.6000 bmse011766 1 21 1 2.6029 bmse011766 1 22 1 2.6056 bmse011766 1 23 1 2.6095 bmse011766 1 24 1 6.9717 bmse011766 1 25 1 6.9776 bmse011766 1 26 1 6.9812 bmse011766 1 27 1 6.9884 bmse011766 1 28 1 6.9924 bmse011766 1 29 1 6.9981 bmse011766 1 30 1 7.2854 bmse011766 1 31 1 7.2913 bmse011766 1 32 1 7.2951 bmse011766 1 33 1 7.3023 bmse011766 1 34 1 7.3061 bmse011766 1 35 1 7.3118 bmse011766 1 36 1 4.6500 bmse011766 1 37 1 2.8761 bmse011766 1 38 1 2.8601 bmse011766 1 39 1 2.8475 bmse011766 1 40 1 2.8313 bmse011766 1 stop_ save_