######################### # 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 bmse011359 _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 bmse011359 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 bmse011359 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011359 1 2 bmse011359 1 3 bmse011359 1 4 bmse011359 1 5 bmse011359 1 6 bmse011359 1 7 bmse011359 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 7.4151 11,12_d_Q2 bmse011359 1 2 1 7.6727 8,9_d_Q3 bmse011359 1 3 1 4.6500 SUP bmse011359 1 4 1 2.7210 10,15_m bmse011359 1 5 1 2.3611 16_s_Q1 bmse011359 1 6 1 2.6032 DMSO bmse011359 1 7 1 3.3154 14_t bmse011359 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 8.0329 bmse011359 1 2 2 1 8.2530 bmse011359 1 3 3 1 0.0000 bmse011359 1 4 4 1 41.5044 bmse011359 1 5 5 1 0.0000 bmse011359 1 6 6 1 1.8432 bmse011359 1 7 7 1 6.3823 bmse011359 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011359 1 2 bmse011359 1 3 bmse011359 1 4 bmse011359 1 5 bmse011359 1 6 bmse011359 1 7 bmse011359 1 8 bmse011359 1 9 bmse011359 1 10 bmse011359 1 11 bmse011359 1 12 bmse011359 1 13 bmse011359 1 14 bmse011359 1 15 bmse011359 1 16 bmse011359 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 7.4084 bmse011359 1 2 1 7.4218 bmse011359 1 3 1 7.6658 bmse011359 1 4 1 7.6796 bmse011359 1 5 1 4.6500 bmse011359 1 6 1 2.7556 bmse011359 1 7 1 2.6864 bmse011359 1 8 1 2.3611 bmse011359 1 9 1 2.5970 bmse011359 1 10 1 2.6001 bmse011359 1 11 1 2.6031 bmse011359 1 12 1 2.6062 bmse011359 1 13 1 2.6093 bmse011359 1 14 1 3.3047 bmse011359 1 15 1 3.3154 bmse011359 1 16 1 3.3260 bmse011359 1 stop_ save_