######################### # 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 bmse011339 _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 bmse011339 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 bmse011339 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011339 1 2 bmse011339 1 3 bmse011339 1 4 bmse011339 1 5 bmse011339 1 6 bmse011339 1 8 bmse011339 1 9 bmse011339 1 10 bmse011339 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 3.3854 14_q bmse011339 1 2 1 6.9347 12_m_Q1 bmse011339 1 3 1 4.6500 SUP bmse011339 1 4 1 7.1980 3_d bmse011339 1 5 1 2.6028 DMSO bmse011339 1 6 1 7.2708 7_dd_Q2 bmse011339 1 7 1 1.8132 16_s bmse011339 1 8 1 2.8482 15_t bmse011339 1 9 1 7.3624 9_dd_Q3 bmse011339 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 6.5290 bmse011339 1 2 2 1 4.2035 bmse011339 1 3 3 1 0.0000 bmse011339 1 4 4 1 1.6506 bmse011339 1 5 5 1 1.9532 bmse011339 1 6 6 1 10.1236 bmse011339 1 7 6 1 2.5309 bmse011339 1 8 7 1 0.0000 bmse011339 1 9 8 1 6.8224 bmse011339 1 10 9 1 8.9132 bmse011339 1 11 9 1 4.5116 bmse011339 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011339 1 2 bmse011339 1 3 bmse011339 1 4 bmse011339 1 5 bmse011339 1 6 bmse011339 1 7 bmse011339 1 8 bmse011339 1 9 bmse011339 1 10 bmse011339 1 11 bmse011339 1 12 bmse011339 1 13 bmse011339 1 14 bmse011339 1 15 bmse011339 1 16 bmse011339 1 17 bmse011339 1 18 bmse011339 1 19 bmse011339 1 20 bmse011339 1 21 bmse011339 1 22 bmse011339 1 23 bmse011339 1 24 bmse011339 1 25 bmse011339 1 26 bmse011339 1 27 bmse011339 1 28 bmse011339 1 29 bmse011339 1 30 bmse011339 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 3.3691 bmse011339 1 2 1 3.3801 bmse011339 1 3 1 3.3907 bmse011339 1 4 1 3.4017 bmse011339 1 5 1 6.9523 bmse011339 1 6 1 6.9482 bmse011339 1 7 1 6.9368 bmse011339 1 8 1 6.9328 bmse011339 1 9 1 6.9214 bmse011339 1 10 1 6.9172 bmse011339 1 11 1 4.6500 bmse011339 1 12 1 7.1967 bmse011339 1 13 1 7.1994 bmse011339 1 14 1 2.5963 bmse011339 1 15 1 2.5998 bmse011339 1 16 1 2.6029 bmse011339 1 17 1 2.6058 bmse011339 1 18 1 2.6093 bmse011339 1 19 1 7.2814 bmse011339 1 20 1 7.2771 bmse011339 1 21 1 7.2645 bmse011339 1 22 1 7.2603 bmse011339 1 23 1 1.8132 bmse011339 1 24 1 2.8368 bmse011339 1 25 1 2.8482 bmse011339 1 26 1 2.8596 bmse011339 1 27 1 7.3736 bmse011339 1 28 1 7.3661 bmse011339 1 29 1 7.3587 bmse011339 1 30 1 7.3512 bmse011339 1 stop_ save_