######################### # 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 bmse011066 _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 bmse011066 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 bmse011066 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011066 1 2 bmse011066 1 3 bmse011066 1 4 bmse011066 1 5 bmse011066 1 6 bmse011066 1 7 bmse011066 1 8 bmse011066 1 9 bmse011066 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 1.6635 14,15,17,18 bmse011066 1 2 1 4.6500 SUP bmse011066 1 3 1 2.6027 DMSO bmse011066 1 4 1 2.8056 7_m bmse011066 1 5 1 1.8756 17,18_m_Q1 bmse011066 1 6 1 1.5577 14,15_m bmse011066 1 7 1 7.9453 9,10_d_Q3 bmse011066 1 8 1 3.8354 16_s_Q2 bmse011066 1 9 1 7.5281 12,13_d bmse011066 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 77.3202 bmse011066 1 2 2 1 0.0000 bmse011066 1 3 3 1 1.8707 bmse011066 1 4 4 1 8.0054 bmse011066 1 5 5 1 5.9146 bmse011066 1 6 6 1 5.3644 bmse011066 1 7 7 1 8.6931 bmse011066 1 8 8 1 0.0000 bmse011066 1 9 9 1 8.6931 bmse011066 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011066 1 2 bmse011066 1 3 bmse011066 1 4 bmse011066 1 5 bmse011066 1 6 bmse011066 1 7 bmse011066 1 8 bmse011066 1 9 bmse011066 1 10 bmse011066 1 11 bmse011066 1 12 bmse011066 1 13 bmse011066 1 14 bmse011066 1 15 bmse011066 1 16 bmse011066 1 17 bmse011066 1 18 bmse011066 1 19 bmse011066 1 20 bmse011066 1 21 bmse011066 1 22 bmse011066 1 23 bmse011066 1 24 bmse011066 1 25 bmse011066 1 26 bmse011066 1 27 bmse011066 1 28 bmse011066 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 1.7279 bmse011066 1 2 1 1.5991 bmse011066 1 3 1 4.6500 bmse011066 1 4 1 2.5965 bmse011066 1 5 1 2.5998 bmse011066 1 6 1 2.6029 bmse011066 1 7 1 2.6060 bmse011066 1 8 1 2.6089 bmse011066 1 9 1 2.8323 bmse011066 1 10 1 2.8192 bmse011066 1 11 1 2.8051 bmse011066 1 12 1 2.7925 bmse011066 1 13 1 2.7789 bmse011066 1 14 1 1.8954 bmse011066 1 15 1 1.8856 bmse011066 1 16 1 1.8816 bmse011066 1 17 1 1.8712 bmse011066 1 18 1 1.8559 bmse011066 1 19 1 1.5756 bmse011066 1 20 1 1.5563 bmse011066 1 21 1 1.5532 bmse011066 1 22 1 1.5442 bmse011066 1 23 1 1.5398 bmse011066 1 24 1 7.9381 bmse011066 1 25 1 7.9526 bmse011066 1 26 1 3.8354 bmse011066 1 27 1 7.5208 bmse011066 1 28 1 7.5353 bmse011066 1 stop_ save_