######################### # 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 bmse011303 _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 bmse011303 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 bmse011303 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011303 1 2 bmse011303 1 3 bmse011303 1 4 bmse011303 1 6 bmse011303 1 7 bmse011303 1 8 bmse011303 1 9 bmse011303 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 4.6500 SUP bmse011303 1 2 1 1.5175 15,16,17_m bmse011303 1 3 1 1.7210 14_quint_Q1 bmse011303 1 4 1 7.0480 12,13_dd bmse011303 1 5 1 7.4554 11_m bmse011303 1 6 1 3.6097 10_t_Q3 bmse011303 1 7 1 3.3377 9_t_Q2 bmse011303 1 8 1 2.6029 DMSO bmse011303 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 bmse011303 1 2 2 1 199.5013 bmse011303 1 3 3 1 5.9971 bmse011303 1 4 4 1 8.1429 bmse011303 1 5 4 1 8.1429 bmse011303 1 6 5 1 7.5652 bmse011303 1 7 6 1 5.9971 bmse011303 1 8 7 1 5.9971 bmse011303 1 9 8 1 0.0000 bmse011303 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011303 1 2 bmse011303 1 3 bmse011303 1 4 bmse011303 1 5 bmse011303 1 6 bmse011303 1 7 bmse011303 1 8 bmse011303 1 9 bmse011303 1 10 bmse011303 1 11 bmse011303 1 12 bmse011303 1 13 bmse011303 1 14 bmse011303 1 15 bmse011303 1 16 bmse011303 1 17 bmse011303 1 18 bmse011303 1 19 bmse011303 1 20 bmse011303 1 21 bmse011303 1 22 bmse011303 1 23 bmse011303 1 24 bmse011303 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 4.6500 bmse011303 1 2 1 1.6837 bmse011303 1 3 1 1.3513 bmse011303 1 4 1 1.7010 bmse011303 1 5 1 1.7116 bmse011303 1 6 1 1.7212 bmse011303 1 7 1 1.7313 bmse011303 1 8 1 1.7410 bmse011303 1 9 1 7.0615 bmse011303 1 10 1 7.0480 bmse011303 1 11 1 7.0480 bmse011303 1 12 1 7.0344 bmse011303 1 13 1 7.4807 bmse011303 1 14 1 7.4689 bmse011303 1 15 1 7.4555 bmse011303 1 16 1 7.4429 bmse011303 1 17 1 7.4302 bmse011303 1 18 1 3.5998 bmse011303 1 19 1 3.6098 bmse011303 1 20 1 3.6197 bmse011303 1 21 1 3.3277 bmse011303 1 22 1 3.3381 bmse011303 1 23 1 3.3476 bmse011303 1 24 1 2.6029 bmse011303 1 stop_ save_