######################### # 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 bmse011169 _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 bmse011169 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 bmse011169 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011169 1 2 bmse011169 1 4 bmse011169 1 6 bmse011169 1 7 bmse011169 1 8 bmse011169 1 9 bmse011169 1 10 bmse011169 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 bmse011169 1 2 1 3.5957 dd_2H bmse011169 1 3 1 7.3556 dd_1H bmse011169 1 4 1 4.0153 d_1H_Q1 bmse011169 1 5 1 7.7121 d_1H bmse011169 1 6 1 2.6026 DMSO bmse011169 1 7 1 1.1149 d_6H bmse011169 1 8 1 3.5203 dd_2H bmse011169 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 bmse011169 1 2 2 1 11.2790 bmse011169 1 3 2 1 4.7867 bmse011169 1 4 3 1 10.7839 bmse011169 1 5 3 1 1.9807 bmse011169 1 6 4 1 3.1911 bmse011169 1 7 5 1 2.0907 bmse011169 1 8 6 1 1.9532 bmse011169 1 9 7 1 6.8224 bmse011169 1 10 8 1 11.3341 bmse011169 1 11 8 1 6.3823 bmse011169 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011169 1 2 bmse011169 1 3 bmse011169 1 4 bmse011169 1 5 bmse011169 1 6 bmse011169 1 7 bmse011169 1 8 bmse011169 1 9 bmse011169 1 10 bmse011169 1 11 bmse011169 1 12 bmse011169 1 13 bmse011169 1 14 bmse011169 1 15 bmse011169 1 16 bmse011169 1 17 bmse011169 1 18 bmse011169 1 19 bmse011169 1 20 bmse011169 1 21 bmse011169 1 22 bmse011169 1 23 bmse011169 1 24 bmse011169 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 bmse011169 1 2 1 3.6091 bmse011169 1 3 1 3.6012 bmse011169 1 4 1 3.5904 bmse011169 1 5 1 3.5823 bmse011169 1 6 1 7.3662 bmse011169 1 7 1 7.3629 bmse011169 1 8 1 7.3483 bmse011169 1 9 1 7.3450 bmse011169 1 10 1 4.0126 bmse011169 1 11 1 4.0180 bmse011169 1 12 1 7.7104 bmse011169 1 13 1 7.7139 bmse011169 1 14 1 2.5961 bmse011169 1 15 1 2.5998 bmse011169 1 16 1 2.6027 bmse011169 1 17 1 2.6056 bmse011169 1 18 1 2.6091 bmse011169 1 19 1 1.1092 bmse011169 1 20 1 1.1205 bmse011169 1 21 1 3.5350 bmse011169 1 22 1 3.5244 bmse011169 1 23 1 3.5161 bmse011169 1 24 1 3.5055 bmse011169 1 stop_ save_