######################### # 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 bmse011651 _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 bmse011651 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 bmse011651 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011651 1 2 bmse011651 1 4 bmse011651 1 5 bmse011651 1 6 bmse011651 1 7 bmse011651 1 8 bmse011651 1 9 bmse011651 1 10 bmse011651 1 13 bmse011651 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 7.0961 13_d_Q2 bmse011651 1 2 1 7.1767 12_dd_Q3 bmse011651 1 3 1 1.9523 15_m bmse011651 1 4 1 2.0342 16_m bmse011651 1 5 1 2.6031 DMSO bmse011651 1 6 1 4.6500 SUP bmse011651 1 7 1 7.3651 10_d bmse011651 1 8 1 3.9101 14_q_Q1 bmse011651 1 9 1 2.3367 16_ddd bmse011651 1 10 1 2.1579 11_s bmse011651 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 7.8128 bmse011651 1 2 2 1 7.9228 bmse011651 1 3 2 1 7.9228 bmse011651 1 4 3 1 7.0058 bmse011651 1 5 4 1 6.4263 bmse011651 1 6 5 1 0.0000 bmse011651 1 7 6 1 0.0000 bmse011651 1 8 7 1 7.8128 bmse011651 1 9 8 1 7.2993 bmse011651 1 10 9 1 15.5431 bmse011651 1 11 9 1 12.7921 bmse011651 1 12 9 1 7.6202 bmse011651 1 13 10 1 0.0000 bmse011651 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011651 1 2 bmse011651 1 3 bmse011651 1 4 bmse011651 1 5 bmse011651 1 6 bmse011651 1 7 bmse011651 1 8 bmse011651 1 9 bmse011651 1 10 bmse011651 1 11 bmse011651 1 12 bmse011651 1 13 bmse011651 1 14 bmse011651 1 15 bmse011651 1 16 bmse011651 1 17 bmse011651 1 18 bmse011651 1 19 bmse011651 1 20 bmse011651 1 21 bmse011651 1 22 bmse011651 1 23 bmse011651 1 24 bmse011651 1 25 bmse011651 1 26 bmse011651 1 27 bmse011651 1 28 bmse011651 1 29 bmse011651 1 30 bmse011651 1 31 bmse011651 1 32 bmse011651 1 33 bmse011651 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 7.0896 bmse011651 1 2 1 7.1026 bmse011651 1 3 1 7.1899 bmse011651 1 4 1 7.1769 bmse011651 1 5 1 7.1769 bmse011651 1 6 1 7.1635 bmse011651 1 7 1 1.9698 bmse011651 1 8 1 1.9581 bmse011651 1 9 1 1.9463 bmse011651 1 10 1 1.9348 bmse011651 1 11 1 2.0609 bmse011651 1 12 1 2.0490 bmse011651 1 13 1 2.0387 bmse011651 1 14 1 2.0283 bmse011651 1 15 1 2.0173 bmse011651 1 16 1 2.0074 bmse011651 1 17 1 2.6031 bmse011651 1 18 1 4.6500 bmse011651 1 19 1 7.3585 bmse011651 1 20 1 7.3716 bmse011651 1 21 1 3.8918 bmse011651 1 22 1 3.9036 bmse011651 1 23 1 3.9166 bmse011651 1 24 1 3.9283 bmse011651 1 25 1 2.3667 bmse011651 1 26 1 2.3535 bmse011651 1 27 1 2.3451 bmse011651 1 28 1 2.3326 bmse011651 1 29 1 2.3405 bmse011651 1 30 1 2.3281 bmse011651 1 31 1 2.3193 bmse011651 1 32 1 2.3066 bmse011651 1 33 1 2.1579 bmse011651 1 stop_ save_