######################### # 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 bmse011518 _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 bmse011518 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 bmse011518 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011518 1 2 bmse011518 1 3 bmse011518 1 4 bmse011518 1 5 bmse011518 1 6 bmse011518 1 7 bmse011518 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 bmse011518 1 2 1 2.6030 DMSO bmse011518 1 3 1 2.3442 m_6H bmse011518 1 4 1 2.0764 m_2H bmse011518 1 5 1 1.7406 m_1H bmse011518 1 6 1 1.8589 m_3H_Q1 bmse011518 1 7 1 3.9424 s_1H bmse011518 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 bmse011518 1 2 2 1 1.8982 bmse011518 1 3 3 1 0.0000 bmse011518 1 4 4 1 2.9711 bmse011518 1 5 5 1 10.5638 bmse011518 1 6 6 1 6.9105 bmse011518 1 7 7 1 0.0000 bmse011518 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011518 1 2 bmse011518 1 3 bmse011518 1 4 bmse011518 1 5 bmse011518 1 6 bmse011518 1 7 bmse011518 1 8 bmse011518 1 9 bmse011518 1 10 bmse011518 1 11 bmse011518 1 12 bmse011518 1 13 bmse011518 1 14 bmse011518 1 15 bmse011518 1 16 bmse011518 1 17 bmse011518 1 18 bmse011518 1 19 bmse011518 1 20 bmse011518 1 21 bmse011518 1 22 bmse011518 1 23 bmse011518 1 24 bmse011518 1 25 bmse011518 1 26 bmse011518 1 27 bmse011518 1 28 bmse011518 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 bmse011518 1 2 1 2.5967 bmse011518 1 3 1 2.5998 bmse011518 1 4 1 2.6029 bmse011518 1 5 1 2.6058 bmse011518 1 6 1 2.6093 bmse011518 1 7 1 2.3442 bmse011518 1 8 1 2.0987 bmse011518 1 9 1 2.0903 bmse011518 1 10 1 2.0886 bmse011518 1 11 1 2.0829 bmse011518 1 12 1 2.0794 bmse011518 1 13 1 2.0771 bmse011518 1 14 1 2.0661 bmse011518 1 15 1 2.0598 bmse011518 1 16 1 2.0563 bmse011518 1 17 1 2.0541 bmse011518 1 18 1 1.7670 bmse011518 1 19 1 1.7611 bmse011518 1 20 1 1.7498 bmse011518 1 21 1 1.7142 bmse011518 1 22 1 1.8877 bmse011518 1 23 1 1.8728 bmse011518 1 24 1 1.8646 bmse011518 1 25 1 1.8547 bmse011518 1 26 1 1.8444 bmse011518 1 27 1 1.8301 bmse011518 1 28 1 3.9424 bmse011518 1 stop_ save_