######################### # 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 bmse011307 _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 bmse011307 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 bmse011307 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011307 1 2 bmse011307 1 4 bmse011307 1 5 bmse011307 1 6 bmse011307 1 8 bmse011307 1 9 bmse011307 1 10 bmse011307 1 11 bmse011307 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 2.1192 s_3H bmse011307 1 2 1 6.5996 dd_1H bmse011307 1 3 1 4.6500 SUP bmse011307 1 4 1 2.7903 s_1H bmse011307 1 5 1 6.9040 dd_1H bmse011307 1 6 1 7.1407 m_1H_Q1 bmse011307 1 7 1 2.6028 DMSO bmse011307 1 8 1 7.0499 d_1H bmse011307 1 9 1 7.2049 d_1H bmse011307 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 bmse011307 1 2 2 1 3.4662 bmse011307 1 3 2 1 1.7056 bmse011307 1 4 3 1 0.0000 bmse011307 1 5 4 1 0.0000 bmse011307 1 6 5 1 8.0329 bmse011307 1 7 5 1 1.8707 bmse011307 1 8 6 1 7.9228 bmse011307 1 9 7 1 1.9532 bmse011307 1 10 8 1 1.6506 bmse011307 1 11 9 1 3.5213 bmse011307 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011307 1 2 bmse011307 1 3 bmse011307 1 4 bmse011307 1 5 bmse011307 1 6 bmse011307 1 7 bmse011307 1 8 bmse011307 1 9 bmse011307 1 10 bmse011307 1 11 bmse011307 1 12 bmse011307 1 13 bmse011307 1 14 bmse011307 1 15 bmse011307 1 16 bmse011307 1 17 bmse011307 1 18 bmse011307 1 19 bmse011307 1 20 bmse011307 1 21 bmse011307 1 22 bmse011307 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 2.1192 bmse011307 1 2 1 6.6039 bmse011307 1 3 1 6.6010 bmse011307 1 4 1 6.5980 bmse011307 1 5 1 6.5953 bmse011307 1 6 1 4.6500 bmse011307 1 7 1 2.7903 bmse011307 1 8 1 6.9123 bmse011307 1 9 1 6.9092 bmse011307 1 10 1 6.8989 bmse011307 1 11 1 6.8958 bmse011307 1 12 1 7.1341 bmse011307 1 13 1 7.1473 bmse011307 1 14 1 2.5963 bmse011307 1 15 1 2.6001 bmse011307 1 16 1 2.6029 bmse011307 1 17 1 2.6056 bmse011307 1 18 1 2.6093 bmse011307 1 19 1 7.0485 bmse011307 1 20 1 7.0513 bmse011307 1 21 1 7.2020 bmse011307 1 22 1 7.2078 bmse011307 1 stop_ save_