######################### # 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 bmse011743 _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 bmse011743 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 bmse011743 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011743 1 2 bmse011743 1 3 bmse011743 1 4 bmse011743 1 5 bmse011743 1 7 bmse011743 1 9 bmse011743 1 10 bmse011743 1 11 bmse011743 1 12 bmse011743 1 13 bmse011743 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 2.0309 15_m bmse011743 1 2 1 3.0837 8_m_Q3 bmse011743 1 3 1 1.5431 15_m_Q1 bmse011743 1 4 1 4.1683 13_m bmse011743 1 5 1 2.9524 11_dd_Q2 bmse011743 1 6 1 7.4184 9,10_dd bmse011743 1 7 1 2.6025 DMSO bmse011743 1 8 1 4.6500 SUP bmse011743 1 9 1 1.8481 14_m bmse011743 1 10 1 3.7557 2,12_m bmse011743 1 11 1 7.1396 6,7_dd bmse011743 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 6.8665 bmse011743 1 2 2 1 5.3186 bmse011743 1 3 3 1 5.7220 bmse011743 1 4 4 1 81.4029 bmse011743 1 5 5 1 12.8746 bmse011743 1 6 5 1 9.7935 bmse011743 1 7 6 1 8.3630 bmse011743 1 8 6 1 5.3919 bmse011743 1 9 7 1 0.0000 bmse011743 1 10 8 1 0.0000 bmse011743 1 11 9 1 6.9985 bmse011743 1 12 10 1 62.9852 bmse011743 1 13 11 1 8.6931 bmse011743 1 14 11 1 8.6931 bmse011743 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011743 1 2 bmse011743 1 3 bmse011743 1 4 bmse011743 1 5 bmse011743 1 6 bmse011743 1 7 bmse011743 1 8 bmse011743 1 9 bmse011743 1 10 bmse011743 1 11 bmse011743 1 12 bmse011743 1 13 bmse011743 1 14 bmse011743 1 15 bmse011743 1 16 bmse011743 1 17 bmse011743 1 18 bmse011743 1 19 bmse011743 1 20 bmse011743 1 21 bmse011743 1 22 bmse011743 1 23 bmse011743 1 24 bmse011743 1 25 bmse011743 1 26 bmse011743 1 27 bmse011743 1 28 bmse011743 1 29 bmse011743 1 30 bmse011743 1 31 bmse011743 1 32 bmse011743 1 33 bmse011743 1 34 bmse011743 1 35 bmse011743 1 36 bmse011743 1 37 bmse011743 1 38 bmse011743 1 39 bmse011743 1 40 bmse011743 1 41 bmse011743 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 2.0595 bmse011743 1 2 1 2.0466 bmse011743 1 3 1 2.0365 bmse011743 1 4 1 2.0243 bmse011743 1 5 1 2.0147 bmse011743 1 6 1 2.0022 bmse011743 1 7 1 3.0970 bmse011743 1 8 1 3.0919 bmse011743 1 9 1 3.0756 bmse011743 1 10 1 3.0704 bmse011743 1 11 1 1.5718 bmse011743 1 12 1 1.5604 bmse011743 1 13 1 1.5496 bmse011743 1 14 1 1.5387 bmse011743 1 15 1 1.5369 bmse011743 1 16 1 1.5257 bmse011743 1 17 1 1.5145 bmse011743 1 18 1 4.2361 bmse011743 1 19 1 4.1005 bmse011743 1 20 1 2.9712 bmse011743 1 21 1 2.9549 bmse011743 1 22 1 2.9498 bmse011743 1 23 1 2.9335 bmse011743 1 24 1 7.4299 bmse011743 1 25 1 7.4209 bmse011743 1 26 1 7.4159 bmse011743 1 27 1 7.4070 bmse011743 1 28 1 2.6025 bmse011743 1 29 1 4.6500 bmse011743 1 30 1 1.8772 bmse011743 1 31 1 1.8669 bmse011743 1 32 1 1.8554 bmse011743 1 33 1 1.8433 bmse011743 1 34 1 1.8314 bmse011743 1 35 1 1.8189 bmse011743 1 36 1 3.8082 bmse011743 1 37 1 3.7033 bmse011743 1 38 1 7.1541 bmse011743 1 39 1 7.1396 bmse011743 1 40 1 7.1396 bmse011743 1 41 1 7.1251 bmse011743 1 stop_ save_