######################### # 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 bmse011705 _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 bmse011705 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 bmse011705 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011705 1 2 bmse011705 1 3 bmse011705 1 4 bmse011705 1 5 bmse011705 1 6 bmse011705 1 7 bmse011705 1 8 bmse011705 1 9 bmse011705 1 10 bmse011705 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 bmse011705 1 2 1 2.4562 Imp1 bmse011705 1 3 1 4.2561 d_1H bmse011705 1 4 1 7.1057 d_1H bmse011705 1 5 1 3.0909 t_2H bmse011705 1 6 1 2.6029 DMSO bmse011705 1 7 1 2.2259 s_3H bmse011705 1 8 1 7.7685 s_1H bmse011705 1 9 1 7.2289 m_3H_Q1 bmse011705 1 10 1 3.4598 t_2H bmse011705 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 bmse011705 1 2 2 1 0.0000 bmse011705 1 3 3 1 10.3437 bmse011705 1 4 4 1 7.4827 bmse011705 1 5 5 1 6.4373 bmse011705 1 6 6 1 1.8707 bmse011705 1 7 7 1 0.0000 bmse011705 1 8 8 1 0.0000 bmse011705 1 9 9 1 7.2186 bmse011705 1 10 10 1 6.4373 bmse011705 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011705 1 2 bmse011705 1 3 bmse011705 1 4 bmse011705 1 5 bmse011705 1 6 bmse011705 1 7 bmse011705 1 8 bmse011705 1 9 bmse011705 1 10 bmse011705 1 11 bmse011705 1 12 bmse011705 1 13 bmse011705 1 14 bmse011705 1 15 bmse011705 1 16 bmse011705 1 17 bmse011705 1 18 bmse011705 1 19 bmse011705 1 20 bmse011705 1 21 bmse011705 1 22 bmse011705 1 23 bmse011705 1 24 bmse011705 1 25 bmse011705 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 bmse011705 1 2 1 2.4562 bmse011705 1 3 1 4.2475 bmse011705 1 4 1 4.2648 bmse011705 1 5 1 7.0995 bmse011705 1 6 1 7.1119 bmse011705 1 7 1 3.0801 bmse011705 1 8 1 3.0910 bmse011705 1 9 1 3.1016 bmse011705 1 10 1 2.5967 bmse011705 1 11 1 2.5996 bmse011705 1 12 1 2.6027 bmse011705 1 13 1 2.6056 bmse011705 1 14 1 2.6091 bmse011705 1 15 1 2.2259 bmse011705 1 16 1 7.7685 bmse011705 1 17 1 7.2590 bmse011705 1 18 1 7.2465 bmse011705 1 19 1 7.2269 bmse011705 1 20 1 7.2137 bmse011705 1 21 1 7.2038 bmse011705 1 22 1 7.1989 bmse011705 1 23 1 3.4490 bmse011705 1 24 1 3.4597 bmse011705 1 25 1 3.4705 bmse011705 1 stop_ save_