######################### # 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 bmse011334 _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 bmse011334 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 bmse011334 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011334 1 2 bmse011334 1 3 bmse011334 1 4 bmse011334 1 5 bmse011334 1 6 bmse011334 1 7 bmse011334 1 8 bmse011334 1 9 bmse011334 1 11 bmse011334 1 12 bmse011334 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 1.5976 11,13_m bmse011334 1 2 1 7.5630 14_d bmse011334 1 3 1 7.3156 4,17_m bmse011334 1 4 1 3.2432 9_m bmse011334 1 5 1 7.7018 15_d_Q3 bmse011334 1 6 1 4.6500 SUP bmse011334 1 7 1 1.1707 12_m bmse011334 1 8 1 2.9043 9_m_Q1 bmse011334 1 9 1 7.4312 18_dd_Q2 bmse011334 1 10 1 2.6027 DMSO bmse011334 1 11 1 0.8909 16_d bmse011334 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 1 254.0676 bmse011334 1 2 2 1 8.1429 bmse011334 1 3 3 1 64.9900 bmse011334 1 4 4 1 5.6560 bmse011334 1 5 5 1 7.9228 bmse011334 1 6 6 1 0.0000 bmse011334 1 7 7 1 159.7089 bmse011334 1 8 8 1 6.8224 bmse011334 1 9 9 1 7.7028 bmse011334 1 10 9 1 7.7028 bmse011334 1 11 10 1 0.0000 bmse011334 1 12 11 1 6.4923 bmse011334 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011334 1 2 bmse011334 1 3 bmse011334 1 4 bmse011334 1 5 bmse011334 1 6 bmse011334 1 7 bmse011334 1 8 bmse011334 1 9 bmse011334 1 10 bmse011334 1 11 bmse011334 1 12 bmse011334 1 13 bmse011334 1 14 bmse011334 1 15 bmse011334 1 16 bmse011334 1 17 bmse011334 1 18 bmse011334 1 19 bmse011334 1 20 bmse011334 1 21 bmse011334 1 22 bmse011334 1 23 bmse011334 1 24 bmse011334 1 25 bmse011334 1 26 bmse011334 1 27 bmse011334 1 28 bmse011334 1 29 bmse011334 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 1.8093 bmse011334 1 2 1 1.3859 bmse011334 1 3 1 7.5562 bmse011334 1 4 1 7.5698 bmse011334 1 5 1 7.3697 bmse011334 1 6 1 7.2614 bmse011334 1 7 1 3.2668 bmse011334 1 8 1 3.2657 bmse011334 1 9 1 3.2646 bmse011334 1 10 1 3.2428 bmse011334 1 11 1 3.2210 bmse011334 1 12 1 3.2197 bmse011334 1 13 1 7.6952 bmse011334 1 14 1 7.7084 bmse011334 1 15 1 4.6500 bmse011334 1 16 1 1.3037 bmse011334 1 17 1 1.0376 bmse011334 1 18 1 2.9271 bmse011334 1 19 1 2.9245 bmse011334 1 20 1 2.9047 bmse011334 1 21 1 2.8854 bmse011334 1 22 1 2.8816 bmse011334 1 23 1 7.4440 bmse011334 1 24 1 7.4312 bmse011334 1 25 1 7.4312 bmse011334 1 26 1 7.4183 bmse011334 1 27 1 2.6027 bmse011334 1 28 1 0.8855 bmse011334 1 29 1 0.8963 bmse011334 1 stop_ save_