######################### # 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 bmse011592 _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 bmse011592 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 bmse011592 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011592 1 4 bmse011592 1 5 bmse011592 1 6 bmse011592 1 7 bmse011592 1 9 bmse011592 1 10 bmse011592 1 11 bmse011592 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 1.6713 7,8_ddd_Q1 bmse011592 1 2 1 3.3980 5,9,10_m bmse011592 1 3 1 1.2316 11,12_s bmse011592 1 4 1 2.6029 DMSO bmse011592 1 5 1 2.0067 7,8_dd_Q2 bmse011592 1 6 1 4.6500 SUP bmse011592 1 7 1 3.0224 4_s_Q3 bmse011592 1 8 1 4.0023 1,6_m bmse011592 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 24.8414 bmse011592 1 2 1 1 12.5170 bmse011592 1 3 1 1 4.8142 bmse011592 1 4 2 1 76.8758 bmse011592 1 5 3 1 0.0000 bmse011592 1 6 4 1 1.8707 bmse011592 1 7 5 1 12.5995 bmse011592 1 8 5 1 2.2558 bmse011592 1 9 6 1 0.0000 bmse011592 1 10 7 1 0.0000 bmse011592 1 11 8 1 68.4866 bmse011592 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011592 1 2 bmse011592 1 3 bmse011592 1 4 bmse011592 1 5 bmse011592 1 6 bmse011592 1 7 bmse011592 1 8 bmse011592 1 9 bmse011592 1 10 bmse011592 1 11 bmse011592 1 12 bmse011592 1 13 bmse011592 1 14 bmse011592 1 15 bmse011592 1 16 bmse011592 1 17 bmse011592 1 18 bmse011592 1 19 bmse011592 1 20 bmse011592 1 21 bmse011592 1 22 bmse011592 1 23 bmse011592 1 24 bmse011592 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 1.7065 bmse011592 1 2 1 1.6983 bmse011592 1 3 1 1.6856 bmse011592 1 4 1 1.6775 bmse011592 1 5 1 1.6649 bmse011592 1 6 1 1.6572 bmse011592 1 7 1 1.6442 bmse011592 1 8 1 1.6361 bmse011592 1 9 1 3.4620 bmse011592 1 10 1 3.3339 bmse011592 1 11 1 1.2316 bmse011592 1 12 1 2.5967 bmse011592 1 13 1 2.5996 bmse011592 1 14 1 2.6027 bmse011592 1 15 1 2.6058 bmse011592 1 16 1 2.6091 bmse011592 1 17 1 2.0191 bmse011592 1 18 1 2.0153 bmse011592 1 19 1 1.9980 bmse011592 1 20 1 1.9944 bmse011592 1 21 1 4.6500 bmse011592 1 22 1 3.0224 bmse011592 1 23 1 4.0593 bmse011592 1 24 1 3.9452 bmse011592 1 stop_ save_