######################### # 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 bmse011264 _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 bmse011264 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 bmse011264 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011264 1 2 bmse011264 1 3 bmse011264 1 4 bmse011264 1 5 bmse011264 1 6 bmse011264 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 bmse011264 1 2 1 1.1165 s_4H bmse011264 1 3 1 1.8647 s_3H bmse011264 1 4 1 1.1713 m_1H bmse011264 1 5 1 0.3236 m_4H_Q1 bmse011264 1 6 1 2.6032 DMSO bmse011264 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 bmse011264 1 2 2 1 0.0000 bmse011264 1 3 3 1 0.0000 bmse011264 1 4 4 1 3.4937 bmse011264 1 5 5 1 5.4766 bmse011264 1 6 6 1 1.9532 bmse011264 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011264 1 2 bmse011264 1 3 bmse011264 1 4 bmse011264 1 5 bmse011264 1 6 bmse011264 1 7 bmse011264 1 8 bmse011264 1 9 bmse011264 1 10 bmse011264 1 11 bmse011264 1 12 bmse011264 1 13 bmse011264 1 14 bmse011264 1 15 bmse011264 1 16 bmse011264 1 17 bmse011264 1 18 bmse011264 1 19 bmse011264 1 20 bmse011264 1 21 bmse011264 1 22 bmse011264 1 23 bmse011264 1 24 bmse011264 1 25 bmse011264 1 26 bmse011264 1 27 bmse011264 1 28 bmse011264 1 29 bmse011264 1 30 bmse011264 1 31 bmse011264 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 bmse011264 1 2 1 1.1165 bmse011264 1 3 1 1.8647 bmse011264 1 4 1 1.1946 bmse011264 1 5 1 1.1854 bmse011264 1 6 1 1.1803 bmse011264 1 7 1 1.1765 bmse011264 1 8 1 1.1713 bmse011264 1 9 1 1.1662 bmse011264 1 10 1 1.1623 bmse011264 1 11 1 1.1572 bmse011264 1 12 1 1.1480 bmse011264 1 13 1 0.3829 bmse011264 1 14 1 0.3791 bmse011264 1 15 1 0.3644 bmse011264 1 16 1 0.3474 bmse011264 1 17 1 0.3232 bmse011264 1 18 1 0.3144 bmse011264 1 19 1 0.3098 bmse011264 1 20 1 0.3059 bmse011264 1 21 1 0.3013 bmse011264 1 22 1 0.2957 bmse011264 1 23 1 0.2779 bmse011264 1 24 1 0.2742 bmse011264 1 25 1 0.2689 bmse011264 1 26 1 0.2643 bmse011264 1 27 1 2.5967 bmse011264 1 28 1 2.6003 bmse011264 1 29 1 2.6033 bmse011264 1 30 1 2.6062 bmse011264 1 31 1 2.6097 bmse011264 1 stop_ save_