######################### # 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 bmse011408 _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 bmse011408 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 bmse011408 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011408 1 2 bmse011408 1 3 bmse011408 1 4 bmse011408 1 5 bmse011408 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 7.3910 m_1H bmse011408 1 2 1 1.2741 t_4H_Q1 bmse011408 1 3 1 7.2070 m_3H bmse011408 1 4 1 2.6028 DMSO bmse011408 1 5 1 3.1927 q_3H bmse011408 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 3.5213 bmse011408 1 2 2 1 7.4277 bmse011408 1 3 3 1 4.3045 bmse011408 1 4 4 1 1.8982 bmse011408 1 5 5 1 7.4093 bmse011408 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011408 1 2 bmse011408 1 3 bmse011408 1 4 bmse011408 1 5 bmse011408 1 6 bmse011408 1 7 bmse011408 1 8 bmse011408 1 9 bmse011408 1 10 bmse011408 1 11 bmse011408 1 12 bmse011408 1 13 bmse011408 1 14 bmse011408 1 15 bmse011408 1 16 bmse011408 1 17 bmse011408 1 18 bmse011408 1 19 bmse011408 1 20 bmse011408 1 21 bmse011408 1 22 bmse011408 1 23 bmse011408 1 24 bmse011408 1 25 bmse011408 1 26 bmse011408 1 27 bmse011408 1 28 bmse011408 1 29 bmse011408 1 30 bmse011408 1 31 bmse011408 1 32 bmse011408 1 33 bmse011408 1 34 bmse011408 1 35 bmse011408 1 36 bmse011408 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 7.4057 bmse011408 1 2 1 7.4031 bmse011408 1 3 1 7.3923 bmse011408 1 4 1 7.3897 bmse011408 1 5 1 7.3791 bmse011408 1 6 1 7.3763 bmse011408 1 7 1 1.2617 bmse011408 1 8 1 1.2742 bmse011408 1 9 1 1.2865 bmse011408 1 10 1 7.2680 bmse011408 1 11 1 7.2654 bmse011408 1 12 1 7.2594 bmse011408 1 13 1 7.2559 bmse011408 1 14 1 7.2540 bmse011408 1 15 1 7.2454 bmse011408 1 16 1 7.2423 bmse011408 1 17 1 7.2394 bmse011408 1 18 1 7.2333 bmse011408 1 19 1 7.2308 bmse011408 1 20 1 7.2058 bmse011408 1 21 1 7.2036 bmse011408 1 22 1 7.1919 bmse011408 1 23 1 7.1884 bmse011408 1 24 1 7.1858 bmse011408 1 25 1 7.1717 bmse011408 1 26 1 7.1587 bmse011408 1 27 1 7.1460 bmse011408 1 28 1 2.5965 bmse011408 1 29 1 2.5998 bmse011408 1 30 1 2.6029 bmse011408 1 31 1 2.6060 bmse011408 1 32 1 2.6091 bmse011408 1 33 1 3.1742 bmse011408 1 34 1 3.1865 bmse011408 1 35 1 3.1990 bmse011408 1 36 1 3.2112 bmse011408 1 stop_ save_