######################### # 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 bmse011742 _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 bmse011742 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 bmse011742 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011742 1 2 bmse011742 1 3 bmse011742 1 4 bmse011742 1 5 bmse011742 1 6 bmse011742 1 7 bmse011742 1 8 bmse011742 1 9 bmse011742 1 10 bmse011742 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 6.6571 3_d bmse011742 1 2 1 3.7069 13_m_Q3 bmse011742 1 3 1 4.6500 SUP bmse011742 1 4 1 2.6028 DMSO bmse011742 1 5 1 3.8436 12,13_m bmse011742 1 6 1 7.5814 6_d bmse011742 1 7 1 3.3974 10_m bmse011742 1 8 1 1.8548 14,15_m bmse011742 1 9 1 1.9786 15_m_Q2 bmse011742 1 10 1 1.5797 14_m_Q1 bmse011742 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 2.4209 bmse011742 1 2 2 1 7.2993 bmse011742 1 3 3 1 0.0000 bmse011742 1 4 4 1 1.9532 bmse011742 1 5 5 1 99.5889 bmse011742 1 6 6 1 2.3108 bmse011742 1 7 7 1 5.9971 bmse011742 1 8 8 1 80.7197 bmse011742 1 9 9 1 5.5753 bmse011742 1 10 10 1 7.0205 bmse011742 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011742 1 2 bmse011742 1 3 bmse011742 1 4 bmse011742 1 5 bmse011742 1 6 bmse011742 1 7 bmse011742 1 8 bmse011742 1 9 bmse011742 1 10 bmse011742 1 11 bmse011742 1 12 bmse011742 1 13 bmse011742 1 14 bmse011742 1 15 bmse011742 1 16 bmse011742 1 17 bmse011742 1 18 bmse011742 1 19 bmse011742 1 20 bmse011742 1 21 bmse011742 1 22 bmse011742 1 23 bmse011742 1 24 bmse011742 1 25 bmse011742 1 26 bmse011742 1 27 bmse011742 1 28 bmse011742 1 29 bmse011742 1 30 bmse011742 1 31 bmse011742 1 32 bmse011742 1 33 bmse011742 1 34 bmse011742 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 6.6550 bmse011742 1 2 1 6.6591 bmse011742 1 3 1 3.7252 bmse011742 1 4 1 3.7125 bmse011742 1 5 1 3.7019 bmse011742 1 6 1 3.6887 bmse011742 1 7 1 4.6500 bmse011742 1 8 1 2.5963 bmse011742 1 9 1 2.6000 bmse011742 1 10 1 2.6029 bmse011742 1 11 1 2.6056 bmse011742 1 12 1 2.6093 bmse011742 1 13 1 3.9266 bmse011742 1 14 1 3.7607 bmse011742 1 15 1 7.5795 bmse011742 1 16 1 7.5833 bmse011742 1 17 1 3.4074 bmse011742 1 18 1 3.3973 bmse011742 1 19 1 3.3874 bmse011742 1 20 1 1.9220 bmse011742 1 21 1 1.7875 bmse011742 1 22 1 2.0065 bmse011742 1 23 1 1.9938 bmse011742 1 24 1 1.9850 bmse011742 1 25 1 1.9760 bmse011742 1 26 1 1.9718 bmse011742 1 27 1 1.9625 bmse011742 1 28 1 1.9507 bmse011742 1 29 1 1.6090 bmse011742 1 30 1 1.5971 bmse011742 1 31 1 1.5837 bmse011742 1 32 1 1.5758 bmse011742 1 33 1 1.5626 bmse011742 1 34 1 1.5505 bmse011742 1 stop_ save_