######################### # 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 bmse011543 _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 bmse011543 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 bmse011543 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011543 1 2 bmse011543 1 4 bmse011543 1 5 bmse011543 1 8 bmse011543 1 9 bmse011543 1 10 bmse011543 1 11 bmse011543 1 12 bmse011543 1 13 bmse011543 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 2.4135 Imp1 bmse011543 1 2 1 2.4947 5_dd bmse011543 1 3 1 2.1236 11_s_Q1 bmse011543 1 4 1 3.0638 8_ddd bmse011543 1 5 1 2.2157 12_s_Q2 bmse011543 1 6 1 1.0140 13_d bmse011543 1 7 1 2.6025 DMSO bmse011543 1 8 1 2.8299 15_s bmse011543 1 9 1 2.7806 14_s_Q3 bmse011543 1 10 1 4.6500 SUP bmse011543 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 6.8224 bmse011543 1 2 2 1 14.5252 bmse011543 1 3 2 1 9.2433 bmse011543 1 4 3 1 0.0000 bmse011543 1 5 4 1 15.5706 bmse011543 1 6 4 1 13.0397 bmse011543 1 7 4 1 6.6574 bmse011543 1 8 5 1 0.0000 bmse011543 1 9 6 1 6.8224 bmse011543 1 10 7 1 0.0000 bmse011543 1 11 8 1 0.0000 bmse011543 1 12 9 1 0.0000 bmse011543 1 13 10 1 0.0000 bmse011543 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011543 1 2 bmse011543 1 3 bmse011543 1 4 bmse011543 1 5 bmse011543 1 6 bmse011543 1 7 bmse011543 1 8 bmse011543 1 9 bmse011543 1 10 bmse011543 1 11 bmse011543 1 12 bmse011543 1 13 bmse011543 1 14 bmse011543 1 15 bmse011543 1 16 bmse011543 1 17 bmse011543 1 18 bmse011543 1 19 bmse011543 1 20 bmse011543 1 21 bmse011543 1 22 bmse011543 1 23 bmse011543 1 24 bmse011543 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 2.4305 bmse011543 1 2 1 2.4208 bmse011543 1 3 1 2.4062 bmse011543 1 4 1 2.3964 bmse011543 1 5 1 2.5145 bmse011543 1 6 1 2.4991 bmse011543 1 7 1 2.4903 bmse011543 1 8 1 2.4749 bmse011543 1 9 1 2.1236 bmse011543 1 10 1 3.0933 bmse011543 1 11 1 3.0820 bmse011543 1 12 1 3.0713 bmse011543 1 13 1 3.0605 bmse011543 1 14 1 3.0671 bmse011543 1 15 1 3.0563 bmse011543 1 16 1 3.0457 bmse011543 1 17 1 3.0343 bmse011543 1 18 1 2.2157 bmse011543 1 19 1 1.0083 bmse011543 1 20 1 1.0197 bmse011543 1 21 1 2.6025 bmse011543 1 22 1 2.8299 bmse011543 1 23 1 2.7806 bmse011543 1 24 1 4.6500 bmse011543 1 stop_ save_