######################### # 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 bmse011556 _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 bmse011556 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 bmse011556 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011556 1 2 bmse011556 1 3 bmse011556 1 4 bmse011556 1 5 bmse011556 1 6 bmse011556 1 7 bmse011556 1 9 bmse011556 1 10 bmse011556 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 3.0949 12_q_Q2 bmse011556 1 2 1 2.6029 DMSO bmse011556 1 3 1 7.4179 11_d bmse011556 1 4 1 1.2301 13_t_Q1 bmse011556 1 5 1 7.1278 3_d_Q3 bmse011556 1 6 1 6.6275 5_d bmse011556 1 7 1 7.2097 9_dd bmse011556 1 8 1 7.5398 10_d bmse011556 1 9 1 4.6500 SUP bmse011556 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 7.3726 bmse011556 1 2 2 1 1.8156 bmse011556 1 3 3 1 2.5309 bmse011556 1 4 4 1 7.3176 bmse011556 1 5 5 1 7.1526 bmse011556 1 6 6 1 2.7510 bmse011556 1 7 7 1 7.7028 bmse011556 1 8 7 1 7.7028 bmse011556 1 9 8 1 8.2530 bmse011556 1 10 9 1 0.0000 bmse011556 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011556 1 2 bmse011556 1 3 bmse011556 1 4 bmse011556 1 5 bmse011556 1 6 bmse011556 1 7 bmse011556 1 8 bmse011556 1 9 bmse011556 1 10 bmse011556 1 11 bmse011556 1 12 bmse011556 1 13 bmse011556 1 14 bmse011556 1 15 bmse011556 1 16 bmse011556 1 17 bmse011556 1 18 bmse011556 1 19 bmse011556 1 20 bmse011556 1 21 bmse011556 1 22 bmse011556 1 23 bmse011556 1 24 bmse011556 1 25 bmse011556 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 3.0765 bmse011556 1 2 1 3.0888 bmse011556 1 3 1 3.1010 bmse011556 1 4 1 3.1133 bmse011556 1 5 1 2.5968 bmse011556 1 6 1 2.5998 bmse011556 1 7 1 2.6029 bmse011556 1 8 1 2.6060 bmse011556 1 9 1 2.6089 bmse011556 1 10 1 7.4158 bmse011556 1 11 1 7.4200 bmse011556 1 12 1 1.2179 bmse011556 1 13 1 1.2302 bmse011556 1 14 1 1.2423 bmse011556 1 15 1 7.1218 bmse011556 1 16 1 7.1338 bmse011556 1 17 1 6.6252 bmse011556 1 18 1 6.6297 bmse011556 1 19 1 7.2225 bmse011556 1 20 1 7.2102 bmse011556 1 21 1 7.2102 bmse011556 1 22 1 7.1968 bmse011556 1 23 1 7.5329 bmse011556 1 24 1 7.5467 bmse011556 1 25 1 4.6500 bmse011556 1 stop_ save_