######################### # 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 bmse011690 _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 bmse011690 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 bmse011690 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011690 1 3 bmse011690 1 4 bmse011690 1 5 bmse011690 1 6 bmse011690 1 7 bmse011690 1 8 bmse011690 1 9 bmse011690 1 10 bmse011690 1 11 bmse011690 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 6.5592 dd_1H bmse011690 1 2 1 4.6500 SUP bmse011690 1 3 1 3.8819 s_1H bmse011690 1 4 1 7.0128 d_1H_Q1 bmse011690 1 5 1 3.6774 m_1H bmse011690 1 6 1 2.6032 DMSO bmse011690 1 7 1 2.7199 Imp2 bmse011690 1 8 1 3.4717 t_6H bmse011690 1 9 1 7.6282 d_1H bmse011690 1 10 1 5.8883 s_1H bmse011690 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 3.5213 bmse011690 1 2 1 1 1.7606 bmse011690 1 3 2 1 0.0000 bmse011690 1 4 3 1 0.0000 bmse011690 1 5 4 1 3.6313 bmse011690 1 6 5 1 5.6945 bmse011690 1 7 6 1 1.8432 bmse011690 1 8 7 1 0.0000 bmse011690 1 9 8 1 5.3369 bmse011690 1 10 9 1 1.4305 bmse011690 1 11 10 1 0.0000 bmse011690 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011690 1 2 bmse011690 1 3 bmse011690 1 4 bmse011690 1 5 bmse011690 1 6 bmse011690 1 7 bmse011690 1 8 bmse011690 1 9 bmse011690 1 10 bmse011690 1 11 bmse011690 1 12 bmse011690 1 13 bmse011690 1 14 bmse011690 1 15 bmse011690 1 16 bmse011690 1 17 bmse011690 1 18 bmse011690 1 19 bmse011690 1 20 bmse011690 1 21 bmse011690 1 22 bmse011690 1 23 bmse011690 1 24 bmse011690 1 25 bmse011690 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 6.5636 bmse011690 1 2 1 6.5606 bmse011690 1 3 1 6.5577 bmse011690 1 4 1 6.5548 bmse011690 1 5 1 4.6500 bmse011690 1 6 1 3.8819 bmse011690 1 7 1 7.0098 bmse011690 1 8 1 7.0159 bmse011690 1 9 1 3.6964 bmse011690 1 10 1 3.6896 bmse011690 1 11 1 3.6868 bmse011690 1 12 1 3.6749 bmse011690 1 13 1 3.6584 bmse011690 1 14 1 2.5970 bmse011690 1 15 1 2.6000 bmse011690 1 16 1 2.6031 bmse011690 1 17 1 2.6062 bmse011690 1 18 1 2.6093 bmse011690 1 19 1 2.7199 bmse011690 1 20 1 3.4628 bmse011690 1 21 1 3.4714 bmse011690 1 22 1 3.4806 bmse011690 1 23 1 7.6270 bmse011690 1 24 1 7.6294 bmse011690 1 25 1 5.8883 bmse011690 1 stop_ save_