######################### # 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 bmse011573 _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 bmse011573 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 bmse011573 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011573 1 2 bmse011573 1 3 bmse011573 1 4 bmse011573 1 5 bmse011573 1 6 bmse011573 1 7 bmse011573 1 8 bmse011573 1 9 bmse011573 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 bmse011573 1 2 1 1.7765 7_m_Q3 bmse011573 1 3 1 2.8364 5_m bmse011573 1 4 1 1.2425 10,11_m bmse011573 1 5 1 1.9486 4,7_m bmse011573 1 6 1 2.6438 DMSO_2,5_m bmse011573 1 7 1 3.3902 2,3,8_m bmse011573 1 8 1 1.1468 9_m_Q1 bmse011573 1 9 1 1.6764 9_m_Q2 bmse011573 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 bmse011573 1 2 2 1 7.0425 bmse011573 1 3 3 1 5.7441 bmse011573 1 4 4 1 33.6205 bmse011573 1 5 5 1 112.8105 bmse011573 1 6 6 1 73.9678 bmse011573 1 7 7 1 169.8166 bmse011573 1 8 8 1 7.2076 bmse011573 1 9 9 1 4.1356 bmse011573 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011573 1 2 bmse011573 1 3 bmse011573 1 4 bmse011573 1 5 bmse011573 1 6 bmse011573 1 7 bmse011573 1 8 bmse011573 1 9 bmse011573 1 10 bmse011573 1 11 bmse011573 1 12 bmse011573 1 13 bmse011573 1 14 bmse011573 1 15 bmse011573 1 16 bmse011573 1 17 bmse011573 1 18 bmse011573 1 19 bmse011573 1 20 bmse011573 1 21 bmse011573 1 22 bmse011573 1 23 bmse011573 1 24 bmse011573 1 25 bmse011573 1 26 bmse011573 1 27 bmse011573 1 28 bmse011573 1 29 bmse011573 1 30 bmse011573 1 31 bmse011573 1 32 bmse011573 1 33 bmse011573 1 34 bmse011573 1 35 bmse011573 1 36 bmse011573 1 37 bmse011573 1 38 bmse011573 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 bmse011573 1 2 1 1.7883 bmse011573 1 3 1 1.7868 bmse011573 1 4 1 1.7648 bmse011573 1 5 1 2.8603 bmse011573 1 6 1 2.8554 bmse011573 1 7 1 2.8387 bmse011573 1 8 1 2.8341 bmse011573 1 9 1 2.8172 bmse011573 1 10 1 2.8125 bmse011573 1 11 1 1.2705 bmse011573 1 12 1 1.2145 bmse011573 1 13 1 2.0426 bmse011573 1 14 1 1.8546 bmse011573 1 15 1 2.7054 bmse011573 1 16 1 2.5822 bmse011573 1 17 1 3.5317 bmse011573 1 18 1 3.2487 bmse011573 1 19 1 1.1829 bmse011573 1 20 1 1.1609 bmse011573 1 21 1 1.1541 bmse011573 1 22 1 1.1394 bmse011573 1 23 1 1.1326 bmse011573 1 24 1 1.1176 bmse011573 1 25 1 1.1108 bmse011573 1 26 1 1.7177 bmse011573 1 27 1 1.7109 bmse011573 1 28 1 1.7045 bmse011573 1 29 1 1.6951 bmse011573 1 30 1 1.6948 bmse011573 1 31 1 1.6882 bmse011573 1 32 1 1.6818 bmse011573 1 33 1 1.6709 bmse011573 1 34 1 1.6647 bmse011573 1 35 1 1.6592 bmse011573 1 36 1 1.6482 bmse011573 1 37 1 1.6418 bmse011573 1 38 1 1.6350 bmse011573 1 stop_ save_