######################### # 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 bmse011517 _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 bmse011517 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 bmse011517 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011517 1 2 bmse011517 1 4 bmse011517 1 5 bmse011517 1 6 bmse011517 1 7 bmse011517 1 8 bmse011517 1 9 bmse011517 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 bmse011517 1 2 1 3.3488 dd_2H bmse011517 1 3 1 3.1037 d_2H_Q1 bmse011517 1 4 1 2.0026 s_1H bmse011517 1 5 1 1.5142 m_1H bmse011517 1 6 1 2.0387 s_1H bmse011517 1 7 1 1.3494 m_15H bmse011517 1 8 1 2.6027 DMSO bmse011517 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 bmse011517 1 2 2 1 11.9393 bmse011517 1 3 2 1 5.9971 bmse011517 1 4 3 1 17.2762 bmse011517 1 5 4 1 0.0000 bmse011517 1 6 5 1 5.8871 bmse011517 1 7 6 1 0.0000 bmse011517 1 8 7 1 8.6131 bmse011517 1 9 8 1 0.0000 bmse011517 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011517 1 2 bmse011517 1 3 bmse011517 1 4 bmse011517 1 5 bmse011517 1 6 bmse011517 1 7 bmse011517 1 8 bmse011517 1 9 bmse011517 1 10 bmse011517 1 11 bmse011517 1 12 bmse011517 1 13 bmse011517 1 14 bmse011517 1 15 bmse011517 1 16 bmse011517 1 17 bmse011517 1 18 bmse011517 1 19 bmse011517 1 20 bmse011517 1 21 bmse011517 1 22 bmse011517 1 23 bmse011517 1 24 bmse011517 1 25 bmse011517 1 26 bmse011517 1 27 bmse011517 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 bmse011517 1 2 1 3.3638 bmse011517 1 3 1 3.3533 bmse011517 1 4 1 3.3434 bmse011517 1 5 1 3.3339 bmse011517 1 6 1 3.0893 bmse011517 1 7 1 3.1181 bmse011517 1 8 1 2.0026 bmse011517 1 9 1 1.5338 bmse011517 1 10 1 1.5243 bmse011517 1 11 1 1.5142 bmse011517 1 12 1 1.5056 bmse011517 1 13 1 1.4946 bmse011517 1 14 1 2.0387 bmse011517 1 15 1 1.4284 bmse011517 1 16 1 1.4240 bmse011517 1 17 1 1.4172 bmse011517 1 18 1 1.4075 bmse011517 1 19 1 1.3745 bmse011517 1 20 1 1.3411 bmse011517 1 21 1 1.3380 bmse011517 1 22 1 1.3195 bmse011517 1 23 1 1.3044 bmse011517 1 24 1 1.2837 bmse011517 1 25 1 1.2751 bmse011517 1 26 1 1.2705 bmse011517 1 27 1 2.6027 bmse011517 1 stop_ save_