######################### # 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 bmse011404 _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 bmse011404 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 bmse011404 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011404 1 2 bmse011404 1 3 bmse011404 1 4 bmse011404 1 5 bmse011404 1 6 bmse011404 1 7 bmse011404 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 7.2148 6,7_m_Q3 bmse011404 1 2 1 2.6029 DMSO bmse011404 1 3 1 2.2938 12_m_Q1 bmse011404 1 4 1 2.0848 10_m bmse011404 1 5 1 4.0812 11_m_Q2 bmse011404 1 6 1 1.9816 12_m bmse011404 1 7 1 4.6500 SUP bmse011404 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 63.3917 bmse011404 1 2 2 1 1.9807 bmse011404 1 3 3 1 3.0811 bmse011404 1 4 4 1 58.0171 bmse011404 1 5 5 1 75.1707 bmse011404 1 6 6 1 3.2512 bmse011404 1 7 7 1 0.0000 bmse011404 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011404 1 2 bmse011404 1 3 bmse011404 1 4 bmse011404 1 5 bmse011404 1 6 bmse011404 1 7 bmse011404 1 8 bmse011404 1 9 bmse011404 1 10 bmse011404 1 11 bmse011404 1 12 bmse011404 1 13 bmse011404 1 14 bmse011404 1 15 bmse011404 1 16 bmse011404 1 17 bmse011404 1 18 bmse011404 1 19 bmse011404 1 20 bmse011404 1 21 bmse011404 1 22 bmse011404 1 23 bmse011404 1 24 bmse011404 1 25 bmse011404 1 26 bmse011404 1 27 bmse011404 1 28 bmse011404 1 29 bmse011404 1 30 bmse011404 1 31 bmse011404 1 32 bmse011404 1 33 bmse011404 1 34 bmse011404 1 35 bmse011404 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 7.2676 bmse011404 1 2 1 7.1620 bmse011404 1 3 1 2.5963 bmse011404 1 4 1 2.6001 bmse011404 1 5 1 2.6029 bmse011404 1 6 1 2.6058 bmse011404 1 7 1 2.6095 bmse011404 1 8 1 2.3194 bmse011404 1 9 1 2.3154 bmse011404 1 10 1 2.3053 bmse011404 1 11 1 2.3007 bmse011404 1 12 1 2.2971 bmse011404 1 13 1 2.2927 bmse011404 1 14 1 2.2897 bmse011404 1 15 1 2.2859 bmse011404 1 16 1 2.2822 bmse011404 1 17 1 2.2773 bmse011404 1 18 1 2.2681 bmse011404 1 19 1 2.1331 bmse011404 1 20 1 2.0364 bmse011404 1 21 1 4.1438 bmse011404 1 22 1 4.0186 bmse011404 1 23 1 2.0114 bmse011404 1 24 1 2.0079 bmse011404 1 25 1 2.0011 bmse011404 1 26 1 1.9964 bmse011404 1 27 1 1.9907 bmse011404 1 28 1 1.9872 bmse011404 1 29 1 1.9812 bmse011404 1 30 1 1.9760 bmse011404 1 31 1 1.9722 bmse011404 1 32 1 1.9667 bmse011404 1 33 1 1.9562 bmse011404 1 34 1 1.9518 bmse011404 1 35 1 4.6500 bmse011404 1 stop_ save_