######################### # 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 bmse011444 _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 bmse011444 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 bmse011444 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011444 1 2 bmse011444 1 3 bmse011444 1 4 bmse011444 1 5 bmse011444 1 6 bmse011444 1 7 bmse011444 1 8 bmse011444 1 9 bmse011444 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 2.6031 DMSO bmse011444 1 2 1 4.6500 SUP bmse011444 1 3 1 3.2960 t_1H_Q1 bmse011444 1 4 1 2.1983 m_4H bmse011444 1 5 1 7.7302 m_2H bmse011444 1 6 1 7.6317 m_2H bmse011444 1 7 1 4.8953 s_1H bmse011444 1 8 1 2.7197 Imp2 bmse011444 1 9 1 1.9670 dd_1H bmse011444 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 1.9807 bmse011444 1 2 2 1 0.0000 bmse011444 1 3 3 1 8.5280 bmse011444 1 4 4 1 4.9029 bmse011444 1 5 5 1 8.8031 bmse011444 1 6 6 1 8.8031 bmse011444 1 7 7 1 0.0000 bmse011444 1 8 8 1 0.0000 bmse011444 1 9 9 1 10.3987 bmse011444 1 10 9 1 9.0782 bmse011444 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011444 1 2 bmse011444 1 3 bmse011444 1 4 bmse011444 1 5 bmse011444 1 6 bmse011444 1 7 bmse011444 1 8 bmse011444 1 9 bmse011444 1 10 bmse011444 1 11 bmse011444 1 12 bmse011444 1 13 bmse011444 1 14 bmse011444 1 15 bmse011444 1 16 bmse011444 1 17 bmse011444 1 18 bmse011444 1 19 bmse011444 1 20 bmse011444 1 21 bmse011444 1 22 bmse011444 1 23 bmse011444 1 24 bmse011444 1 25 bmse011444 1 26 bmse011444 1 27 bmse011444 1 28 bmse011444 1 29 bmse011444 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 2.5965 bmse011444 1 2 1 2.6001 bmse011444 1 3 1 2.6031 bmse011444 1 4 1 2.6064 bmse011444 1 5 1 2.6097 bmse011444 1 6 1 4.6500 bmse011444 1 7 1 3.2818 bmse011444 1 8 1 3.2959 bmse011444 1 9 1 3.3102 bmse011444 1 10 1 2.2351 bmse011444 1 11 1 2.2320 bmse011444 1 12 1 2.2164 bmse011444 1 13 1 2.2012 bmse011444 1 14 1 2.1896 bmse011444 1 15 1 2.1805 bmse011444 1 16 1 2.1753 bmse011444 1 17 1 2.1684 bmse011444 1 18 1 2.1660 bmse011444 1 19 1 2.1616 bmse011444 1 20 1 7.7229 bmse011444 1 21 1 7.7375 bmse011444 1 22 1 7.6244 bmse011444 1 23 1 7.6391 bmse011444 1 24 1 4.8953 bmse011444 1 25 1 2.7197 bmse011444 1 26 1 1.9832 bmse011444 1 27 1 1.9680 bmse011444 1 28 1 1.9658 bmse011444 1 29 1 1.9507 bmse011444 1 stop_ save_