######################### # 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 bmse011130 _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 bmse011130 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 bmse011130 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011130 1 2 bmse011130 1 3 bmse011130 1 4 bmse011130 1 5 bmse011130 1 6 bmse011130 1 7 bmse011130 1 8 bmse011130 1 9 bmse011130 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 bmse011130 1 2 1 0.9001 16_t_Q1 bmse011130 1 3 1 2.9849 11_t_Q3 bmse011130 1 4 1 2.6029 DMSO bmse011130 1 5 1 8.0136 17_m bmse011130 1 6 1 8.1394 13_d bmse011130 1 7 1 8.6558 12_d bmse011130 1 8 1 7.6441 15_m bmse011130 1 9 1 1.7435 14_m_Q2 bmse011130 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 bmse011130 1 2 2 1 7.4277 bmse011130 1 3 3 1 7.4277 bmse011130 1 4 4 1 1.9807 bmse011130 1 5 5 1 3.4332 bmse011130 1 6 6 1 7.7028 bmse011130 1 7 7 1 4.7317 bmse011130 1 8 8 1 3.1086 bmse011130 1 9 9 1 7.4093 bmse011130 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011130 1 2 bmse011130 1 3 bmse011130 1 4 bmse011130 1 5 bmse011130 1 6 bmse011130 1 7 bmse011130 1 8 bmse011130 1 9 bmse011130 1 10 bmse011130 1 11 bmse011130 1 12 bmse011130 1 13 bmse011130 1 14 bmse011130 1 15 bmse011130 1 16 bmse011130 1 17 bmse011130 1 18 bmse011130 1 19 bmse011130 1 20 bmse011130 1 21 bmse011130 1 22 bmse011130 1 23 bmse011130 1 24 bmse011130 1 25 bmse011130 1 26 bmse011130 1 27 bmse011130 1 28 bmse011130 1 29 bmse011130 1 30 bmse011130 1 31 bmse011130 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 bmse011130 1 2 1 0.8877 bmse011130 1 3 1 0.9000 bmse011130 1 4 1 0.9124 bmse011130 1 5 1 2.9725 bmse011130 1 6 1 2.9848 bmse011130 1 7 1 2.9973 bmse011130 1 8 1 2.5963 bmse011130 1 9 1 2.6000 bmse011130 1 10 1 2.6029 bmse011130 1 11 1 2.6056 bmse011130 1 12 1 2.6095 bmse011130 1 13 1 8.0279 bmse011130 1 14 1 8.0254 bmse011130 1 15 1 8.0149 bmse011130 1 16 1 8.0124 bmse011130 1 17 1 8.0019 bmse011130 1 18 1 7.9993 bmse011130 1 19 1 8.1330 bmse011130 1 20 1 8.1458 bmse011130 1 21 1 8.6519 bmse011130 1 22 1 8.6598 bmse011130 1 23 1 7.6545 bmse011130 1 24 1 7.6464 bmse011130 1 25 1 7.6453 bmse011130 1 26 1 7.6418 bmse011130 1 27 1 7.6338 bmse011130 1 28 1 1.7621 bmse011130 1 29 1 1.7498 bmse011130 1 30 1 1.7373 bmse011130 1 31 1 1.7250 bmse011130 1 stop_ save_