######################### # 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 bmse011377 _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 bmse011377 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 bmse011377 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011377 1 2 bmse011377 1 3 bmse011377 1 4 bmse011377 1 5 bmse011377 1 6 bmse011377 1 7 bmse011377 1 8 bmse011377 1 9 bmse011377 1 10 bmse011377 1 11 bmse011377 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 bmse011377 1 2 1 4.6500 SUP bmse011377 1 3 1 2.7957 t_3H bmse011377 1 4 1 7.0712 m_2H bmse011377 1 5 1 2.4848 Imp1 bmse011377 1 6 1 1.6497 quint_4H_Q1 bmse011377 1 7 1 1.2184 m_3H bmse011377 1 8 1 1.0994 s_1H bmse011377 1 9 1 1.5153 m_2H bmse011377 1 10 1 2.6029 DMSO bmse011377 1 11 1 7.1432 m_1H bmse011377 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 bmse011377 1 2 2 1 0.0000 bmse011377 1 3 3 1 4.6767 bmse011377 1 4 4 1 6.7124 bmse011377 1 5 5 1 0.0000 bmse011377 1 6 6 1 5.6120 bmse011377 1 7 7 1 4.0382 bmse011377 1 8 8 1 0.0000 bmse011377 1 9 9 1 2.8610 bmse011377 1 10 10 1 1.8156 bmse011377 1 11 11 1 8.6931 bmse011377 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011377 1 2 bmse011377 1 3 bmse011377 1 4 bmse011377 1 5 bmse011377 1 6 bmse011377 1 7 bmse011377 1 8 bmse011377 1 9 bmse011377 1 10 bmse011377 1 11 bmse011377 1 12 bmse011377 1 13 bmse011377 1 14 bmse011377 1 15 bmse011377 1 16 bmse011377 1 17 bmse011377 1 18 bmse011377 1 19 bmse011377 1 20 bmse011377 1 21 bmse011377 1 22 bmse011377 1 23 bmse011377 1 24 bmse011377 1 25 bmse011377 1 26 bmse011377 1 27 bmse011377 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 bmse011377 1 2 1 4.6500 bmse011377 1 3 1 2.7879 bmse011377 1 4 1 2.7963 bmse011377 1 5 1 2.8035 bmse011377 1 6 1 7.0767 bmse011377 1 7 1 7.0656 bmse011377 1 8 1 2.4848 bmse011377 1 9 1 1.6310 bmse011377 1 10 1 1.6403 bmse011377 1 11 1 1.6495 bmse011377 1 12 1 1.6588 bmse011377 1 13 1 1.6684 bmse011377 1 14 1 1.2251 bmse011377 1 15 1 1.2179 bmse011377 1 16 1 1.2117 bmse011377 1 17 1 1.0994 bmse011377 1 18 1 1.5200 bmse011377 1 19 1 1.5184 bmse011377 1 20 1 1.5105 bmse011377 1 21 1 2.5968 bmse011377 1 22 1 2.6000 bmse011377 1 23 1 2.6029 bmse011377 1 24 1 2.6060 bmse011377 1 25 1 2.6089 bmse011377 1 26 1 7.1360 bmse011377 1 27 1 7.1504 bmse011377 1 stop_ save_