######################### # 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 bmse011380 _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 bmse011380 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 bmse011380 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011380 1 3 bmse011380 1 4 bmse011380 1 5 bmse011380 1 6 bmse011380 1 7 bmse011380 1 8 bmse011380 1 9 bmse011380 1 10 bmse011380 1 11 bmse011380 1 12 bmse011380 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 7.2913 13,14_dd bmse011380 1 2 1 3.2743 6_q bmse011380 1 3 1 1.5728 11,12_m_Q2 bmse011380 1 4 1 4.6500 SUP bmse011380 1 5 1 2.6031 DMSO bmse011380 1 6 1 1.0189 15,16,18_m bmse011380 1 7 1 1.6555 15,16_m_Q3 bmse011380 1 8 1 1.1843 11,12_m bmse011380 1 9 1 2.6980 8_m bmse011380 1 10 1 7.1986 9,10,17_m bmse011380 1 11 1 1.4645 18_m_Q1 bmse011380 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 7.4827 bmse011380 1 2 1 1 7.4827 bmse011380 1 3 2 1 6.4556 bmse011380 1 4 3 1 4.2475 bmse011380 1 5 4 1 0.0000 bmse011380 1 6 5 1 1.8156 bmse011380 1 7 6 1 131.5755 bmse011380 1 8 7 1 3.9614 bmse011380 1 9 8 1 5.5845 bmse011380 1 10 9 1 6.6574 bmse011380 1 11 10 1 46.1827 bmse011380 1 12 11 1 6.0522 bmse011380 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011380 1 2 bmse011380 1 3 bmse011380 1 4 bmse011380 1 5 bmse011380 1 6 bmse011380 1 7 bmse011380 1 8 bmse011380 1 9 bmse011380 1 10 bmse011380 1 11 bmse011380 1 12 bmse011380 1 13 bmse011380 1 14 bmse011380 1 15 bmse011380 1 16 bmse011380 1 17 bmse011380 1 18 bmse011380 1 19 bmse011380 1 20 bmse011380 1 21 bmse011380 1 22 bmse011380 1 23 bmse011380 1 24 bmse011380 1 25 bmse011380 1 26 bmse011380 1 27 bmse011380 1 28 bmse011380 1 29 bmse011380 1 30 bmse011380 1 31 bmse011380 1 32 bmse011380 1 33 bmse011380 1 34 bmse011380 1 35 bmse011380 1 36 bmse011380 1 37 bmse011380 1 38 bmse011380 1 39 bmse011380 1 40 bmse011380 1 41 bmse011380 1 42 bmse011380 1 43 bmse011380 1 44 bmse011380 1 45 bmse011380 1 46 bmse011380 1 47 bmse011380 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 7.3037 bmse011380 1 2 1 7.2911 bmse011380 1 3 1 7.2911 bmse011380 1 4 1 7.2788 bmse011380 1 5 1 3.2582 bmse011380 1 6 1 3.2692 bmse011380 1 7 1 3.2796 bmse011380 1 8 1 3.2904 bmse011380 1 9 1 1.5905 bmse011380 1 10 1 1.5842 bmse011380 1 11 1 1.5776 bmse011380 1 12 1 1.5675 bmse011380 1 13 1 1.5606 bmse011380 1 14 1 1.5551 bmse011380 1 15 1 4.6500 bmse011380 1 16 1 2.6091 bmse011380 1 17 1 2.6062 bmse011380 1 18 1 2.6031 bmse011380 1 19 1 2.6000 bmse011380 1 20 1 2.5970 bmse011380 1 21 1 1.1286 bmse011380 1 22 1 0.9093 bmse011380 1 23 1 1.6720 bmse011380 1 24 1 1.6664 bmse011380 1 25 1 1.6594 bmse011380 1 26 1 1.6513 bmse011380 1 27 1 1.6442 bmse011380 1 28 1 1.6390 bmse011380 1 29 1 1.2216 bmse011380 1 30 1 1.2161 bmse011380 1 31 1 1.2016 bmse011380 1 32 1 1.1959 bmse011380 1 33 1 1.1906 bmse011380 1 34 1 1.1746 bmse011380 1 35 1 1.1589 bmse011380 1 36 1 1.1534 bmse011380 1 37 1 1.1471 bmse011380 1 38 1 2.7091 bmse011380 1 39 1 2.6981 bmse011380 1 40 1 2.6869 bmse011380 1 41 1 7.2371 bmse011380 1 42 1 7.1602 bmse011380 1 43 1 1.4847 bmse011380 1 44 1 1.4737 bmse011380 1 45 1 1.4570 bmse011380 1 46 1 1.4509 bmse011380 1 47 1 1.4443 bmse011380 1 stop_ save_