######################### # 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 bmse011122 _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 bmse011122 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 bmse011122 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011122 1 2 bmse011122 1 3 bmse011122 1 4 bmse011122 1 5 bmse011122 1 6 bmse011122 1 7 bmse011122 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 bmse011122 1 2 1 2.0070 10_m_Q1 bmse011122 1 3 1 7.2908 12,13_d_Q2 bmse011122 1 4 1 3.1463 3,7,9_m bmse011122 1 5 1 2.6029 DMSO bmse011122 1 6 1 3.4065 7,11_m bmse011122 1 7 1 7.4644 14,15,16_Q3 bmse011122 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 bmse011122 1 2 2 1 88.1986 bmse011122 1 3 3 1 7.3726 bmse011122 1 4 4 1 88.3826 bmse011122 1 5 5 1 1.7606 bmse011122 1 6 6 1 109.7442 bmse011122 1 7 7 1 87.0472 bmse011122 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011122 1 2 bmse011122 1 3 bmse011122 1 4 bmse011122 1 5 bmse011122 1 6 bmse011122 1 7 bmse011122 1 8 bmse011122 1 9 bmse011122 1 10 bmse011122 1 11 bmse011122 1 12 bmse011122 1 13 bmse011122 1 14 bmse011122 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 bmse011122 1 2 1 2.0805 bmse011122 1 3 1 1.9335 bmse011122 1 4 1 7.2847 bmse011122 1 5 1 7.2969 bmse011122 1 6 1 3.2199 bmse011122 1 7 1 3.0727 bmse011122 1 8 1 2.6058 bmse011122 1 9 1 2.6029 bmse011122 1 10 1 2.6000 bmse011122 1 11 1 3.4979 bmse011122 1 12 1 3.3150 bmse011122 1 13 1 7.5370 bmse011122 1 14 1 7.3919 bmse011122 1 stop_ save_