######################### # 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 bmse011033 _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 bmse011033 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 bmse011033 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011033 1 3 bmse011033 1 4 bmse011033 1 5 bmse011033 1 6 bmse011033 1 8 bmse011033 1 9 bmse011033 1 10 bmse011033 1 11 bmse011033 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 7.8251 dd_1H bmse011033 1 2 1 2.6029 DMSO bmse011033 1 3 1 2.4852 Imp1 bmse011033 1 4 1 3.2697 s_2H bmse011033 1 5 1 7.1744 dd_1H bmse011033 1 6 1 7.7406 m_3H bmse011033 1 7 1 1.0927 t_2H_Q1 bmse011033 1 8 1 3.5682 m_1H bmse011033 1 9 1 7.6800 m_2H bmse011033 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 3.7964 bmse011033 1 2 1 1 0.9353 bmse011033 1 3 2 1 1.8156 bmse011033 1 4 3 1 0.0000 bmse011033 1 5 4 1 0.0000 bmse011033 1 6 5 1 4.8417 bmse011033 1 7 5 1 3.8514 bmse011033 1 8 6 1 2.8243 bmse011033 1 9 7 1 7.1526 bmse011033 1 10 8 1 7.1159 bmse011033 1 11 9 1 4.3466 bmse011033 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011033 1 2 bmse011033 1 3 bmse011033 1 4 bmse011033 1 5 bmse011033 1 6 bmse011033 1 7 bmse011033 1 8 bmse011033 1 9 bmse011033 1 10 bmse011033 1 11 bmse011033 1 12 bmse011033 1 13 bmse011033 1 14 bmse011033 1 15 bmse011033 1 16 bmse011033 1 17 bmse011033 1 18 bmse011033 1 19 bmse011033 1 20 bmse011033 1 21 bmse011033 1 22 bmse011033 1 23 bmse011033 1 24 bmse011033 1 25 bmse011033 1 26 bmse011033 1 27 bmse011033 1 28 bmse011033 1 29 bmse011033 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 7.8290 bmse011033 1 2 1 7.8274 bmse011033 1 3 1 7.8226 bmse011033 1 4 1 7.8211 bmse011033 1 5 1 2.5968 bmse011033 1 6 1 2.5998 bmse011033 1 7 1 2.6029 bmse011033 1 8 1 2.6060 bmse011033 1 9 1 2.6089 bmse011033 1 10 1 2.4852 bmse011033 1 11 1 3.2697 bmse011033 1 12 1 7.1816 bmse011033 1 13 1 7.1752 bmse011033 1 14 1 7.1736 bmse011033 1 15 1 7.1671 bmse011033 1 16 1 7.7476 bmse011033 1 17 1 7.7449 bmse011033 1 18 1 7.7364 bmse011033 1 19 1 7.7335 bmse011033 1 20 1 1.0807 bmse011033 1 21 1 1.0927 bmse011033 1 22 1 1.1046 bmse011033 1 23 1 3.5860 bmse011033 1 24 1 3.5739 bmse011033 1 25 1 3.5622 bmse011033 1 26 1 3.5504 bmse011033 1 27 1 7.6873 bmse011033 1 28 1 7.6759 bmse011033 1 29 1 7.6728 bmse011033 1 stop_ save_