######################### # 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 bmse011055 _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 bmse011055 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 bmse011055 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011055 1 2 bmse011055 1 3 bmse011055 1 4 bmse011055 1 5 bmse011055 1 6 bmse011055 1 7 bmse011055 1 8 bmse011055 1 9 bmse011055 1 10 bmse011055 1 11 bmse011055 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 1.7020 m_9H bmse011055 1 2 1 1.5755 m_2H bmse011055 1 3 1 1.5149 s_1H bmse011055 1 4 1 3.5667 m_4H bmse011055 1 5 1 2.4815 Imp1 bmse011055 1 6 1 1.8376 m_4H bmse011055 1 7 1 1.3955 m_1H bmse011055 1 8 1 3.4639 m_3H bmse011055 1 9 1 3.0737 t_3H bmse011055 1 10 1 2.8840 m_3H_Q1 bmse011055 1 11 1 2.6029 DMSO bmse011055 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 7.8568 bmse011055 1 2 2 1 5.8046 bmse011055 1 3 3 1 0.0000 bmse011055 1 4 4 1 0.0000 bmse011055 1 5 5 1 0.0000 bmse011055 1 6 6 1 3.9614 bmse011055 1 7 7 1 5.2544 bmse011055 1 8 8 1 5.6120 bmse011055 1 9 9 1 5.7220 bmse011055 1 10 10 1 11.7742 bmse011055 1 11 11 1 0.0000 bmse011055 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011055 1 2 bmse011055 1 3 bmse011055 1 4 bmse011055 1 5 bmse011055 1 6 bmse011055 1 7 bmse011055 1 8 bmse011055 1 9 bmse011055 1 10 bmse011055 1 11 bmse011055 1 12 bmse011055 1 13 bmse011055 1 14 bmse011055 1 15 bmse011055 1 16 bmse011055 1 17 bmse011055 1 18 bmse011055 1 19 bmse011055 1 20 bmse011055 1 21 bmse011055 1 22 bmse011055 1 23 bmse011055 1 24 bmse011055 1 25 bmse011055 1 26 bmse011055 1 27 bmse011055 1 28 bmse011055 1 29 bmse011055 1 30 bmse011055 1 31 bmse011055 1 32 bmse011055 1 33 bmse011055 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 1.7347 bmse011055 1 2 1 1.7083 bmse011055 1 3 1 1.6954 bmse011055 1 4 1 1.6887 bmse011055 1 5 1 1.6797 bmse011055 1 6 1 1.6693 bmse011055 1 7 1 1.5949 bmse011055 1 8 1 1.5848 bmse011055 1 9 1 1.5752 bmse011055 1 10 1 1.5657 bmse011055 1 11 1 1.5562 bmse011055 1 12 1 1.5149 bmse011055 1 13 1 3.5667 bmse011055 1 14 1 2.4815 bmse011055 1 15 1 1.8475 bmse011055 1 16 1 1.8437 bmse011055 1 17 1 1.8297 bmse011055 1 18 1 1.8277 bmse011055 1 19 1 1.4130 bmse011055 1 20 1 1.4086 bmse011055 1 21 1 1.3886 bmse011055 1 22 1 1.3831 bmse011055 1 23 1 1.3780 bmse011055 1 24 1 3.4732 bmse011055 1 25 1 3.4639 bmse011055 1 26 1 3.4545 bmse011055 1 27 1 3.0642 bmse011055 1 28 1 3.0737 bmse011055 1 29 1 3.0833 bmse011055 1 30 1 2.9036 bmse011055 1 31 1 2.8814 bmse011055 1 32 1 2.8643 bmse011055 1 33 1 2.6029 bmse011055 1 stop_ save_