######################### # 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 bmse011598 _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 bmse011598 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 bmse011598 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011598 1 2 bmse011598 1 3 bmse011598 1 4 bmse011598 1 5 bmse011598 1 6 bmse011598 1 7 bmse011598 1 8 bmse011598 1 9 bmse011598 1 10 bmse011598 1 11 bmse011598 1 12 bmse011598 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 2.7166 Imp2 bmse011598 1 2 1 3.1795 s_6H bmse011598 1 3 1 1.8123 m_6H bmse011598 1 4 1 3.3509 m_3H bmse011598 1 5 1 2.4850 Imp1 bmse011598 1 6 1 7.4840 m_3H bmse011598 1 7 1 8.3933 m_2H bmse011598 1 8 1 8.4686 m_4H_Q1 bmse011598 1 9 1 7.7890 m_2H bmse011598 1 10 1 2.2402 m_3H bmse011598 1 11 1 7.7143 d_1H bmse011598 1 12 1 2.6028 DMSO bmse011598 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 bmse011598 1 2 2 1 0.0000 bmse011598 1 3 3 1 0.0000 bmse011598 1 4 4 1 0.0000 bmse011598 1 5 5 1 0.0000 bmse011598 1 6 6 1 6.1622 bmse011598 1 7 7 1 4.1265 bmse011598 1 8 8 1 5.8321 bmse011598 1 9 9 1 7.9228 bmse011598 1 10 10 1 0.0000 bmse011598 1 11 11 1 7.5927 bmse011598 1 12 12 1 1.9532 bmse011598 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011598 1 2 bmse011598 1 3 bmse011598 1 4 bmse011598 1 5 bmse011598 1 6 bmse011598 1 7 bmse011598 1 8 bmse011598 1 9 bmse011598 1 10 bmse011598 1 11 bmse011598 1 12 bmse011598 1 13 bmse011598 1 14 bmse011598 1 15 bmse011598 1 16 bmse011598 1 17 bmse011598 1 18 bmse011598 1 19 bmse011598 1 20 bmse011598 1 21 bmse011598 1 22 bmse011598 1 23 bmse011598 1 24 bmse011598 1 25 bmse011598 1 26 bmse011598 1 27 bmse011598 1 28 bmse011598 1 29 bmse011598 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 2.7166 bmse011598 1 2 1 3.1795 bmse011598 1 3 1 1.8123 bmse011598 1 4 1 3.3509 bmse011598 1 5 1 2.4850 bmse011598 1 6 1 7.5148 bmse011598 1 7 1 7.5065 bmse011598 1 8 1 7.5016 bmse011598 1 9 1 7.4931 bmse011598 1 10 1 7.4750 bmse011598 1 11 1 7.4662 bmse011598 1 12 1 7.4532 bmse011598 1 13 1 8.4001 bmse011598 1 14 1 8.3930 bmse011598 1 15 1 8.3864 bmse011598 1 16 1 8.4832 bmse011598 1 17 1 8.4755 bmse011598 1 18 1 8.4572 bmse011598 1 19 1 8.4540 bmse011598 1 20 1 7.7956 bmse011598 1 21 1 7.7824 bmse011598 1 22 1 2.2402 bmse011598 1 23 1 7.7080 bmse011598 1 24 1 7.7207 bmse011598 1 25 1 2.5963 bmse011598 1 26 1 2.5998 bmse011598 1 27 1 2.6027 bmse011598 1 28 1 2.6056 bmse011598 1 29 1 2.6093 bmse011598 1 stop_ save_