######################### # 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 bmse011125 _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 bmse011125 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 bmse011125 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011125 1 2 bmse011125 1 3 bmse011125 1 4 bmse011125 1 5 bmse011125 1 6 bmse011125 1 7 bmse011125 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 bmse011125 1 2 1 1.3485 11,12_m_Q1 bmse011125 1 3 1 3.3746 7_d_Q3 bmse011125 1 4 1 1.9169 11,12_d_Q2 bmse011125 1 5 1 2.9790 6,9,10_m bmse011125 1 6 1 2.6027 DMSO bmse011125 1 7 1 1.7690 8_m bmse011125 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 bmse011125 1 2 2 1 4.3906 bmse011125 1 3 3 1 13.2047 bmse011125 1 4 4 1 14.4152 bmse011125 1 5 5 1 117.2205 bmse011125 1 6 6 1 0.0000 bmse011125 1 7 7 1 2.7647 bmse011125 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011125 1 2 bmse011125 1 3 bmse011125 1 4 bmse011125 1 5 bmse011125 1 6 bmse011125 1 7 bmse011125 1 8 bmse011125 1 9 bmse011125 1 10 bmse011125 1 11 bmse011125 1 12 bmse011125 1 13 bmse011125 1 14 bmse011125 1 15 bmse011125 1 16 bmse011125 1 17 bmse011125 1 18 bmse011125 1 19 bmse011125 1 20 bmse011125 1 21 bmse011125 1 22 bmse011125 1 23 bmse011125 1 24 bmse011125 1 25 bmse011125 1 26 bmse011125 1 27 bmse011125 1 28 bmse011125 1 29 bmse011125 1 30 bmse011125 1 31 bmse011125 1 32 bmse011125 1 33 bmse011125 1 34 bmse011125 1 35 bmse011125 1 36 bmse011125 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 bmse011125 1 2 1 1.3851 bmse011125 1 3 1 1.3781 bmse011125 1 4 1 1.3644 bmse011125 1 5 1 1.3613 bmse011125 1 6 1 1.3565 bmse011125 1 7 1 1.3552 bmse011125 1 8 1 1.3400 bmse011125 1 9 1 1.3341 bmse011125 1 10 1 1.3325 bmse011125 1 11 1 1.3189 bmse011125 1 12 1 1.3119 bmse011125 1 13 1 3.3636 bmse011125 1 14 1 3.3856 bmse011125 1 15 1 1.9049 bmse011125 1 16 1 1.9289 bmse011125 1 17 1 3.0767 bmse011125 1 18 1 2.8814 bmse011125 1 19 1 2.6027 bmse011125 1 20 1 1.8059 bmse011125 1 21 1 1.7997 bmse011125 1 22 1 1.7943 bmse011125 1 23 1 1.7881 bmse011125 1 24 1 1.7802 bmse011125 1 25 1 1.7747 bmse011125 1 26 1 1.7688 bmse011125 1 27 1 1.7632 bmse011125 1 28 1 1.7573 bmse011125 1 29 1 1.7569 bmse011125 1 30 1 1.7494 bmse011125 1 31 1 1.7435 bmse011125 1 32 1 1.7428 bmse011125 1 33 1 1.7386 bmse011125 1 34 1 1.7382 bmse011125 1 35 1 1.7325 bmse011125 1 36 1 1.7322 bmse011125 1 stop_ save_