######################### # 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 bmse011674 _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 bmse011674 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 bmse011674 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011674 1 2 bmse011674 1 3 bmse011674 1 4 bmse011674 1 5 bmse011674 1 6 bmse011674 1 7 bmse011674 1 8 bmse011674 1 9 bmse011674 1 10 bmse011674 1 11 bmse011674 1 12 bmse011674 1 13 bmse011674 1 14 bmse011674 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 5.8922 m_2H_Q1 bmse011674 1 2 1 1.2147 m_6H bmse011674 1 3 1 3.2882 m_3H bmse011674 1 4 1 6.3297 m_2H bmse011674 1 5 1 1.5965 m_6H bmse011674 1 6 1 6.2195 m_1H bmse011674 1 7 1 4.1884 d_2H bmse011674 1 8 1 1.4779 m_3H bmse011674 1 9 1 7.3705 d_2H bmse011674 1 10 1 1.7218 m_6H bmse011674 1 11 1 1.0785 m_9H bmse011674 1 12 1 6.1792 d_2H bmse011674 1 13 1 2.4368 Imp1 bmse011674 1 14 1 2.6030 DMSO bmse011674 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 6.2722 bmse011674 1 2 2 1 4.0314 bmse011674 1 3 3 1 4.7003 bmse011674 1 4 4 1 2.4759 bmse011674 1 5 5 1 4.2255 bmse011674 1 6 6 1 6.5473 bmse011674 1 7 7 1 5.8321 bmse011674 1 8 8 1 4.1375 bmse011674 1 9 9 1 1.1004 bmse011674 1 10 10 1 4.0439 bmse011674 1 11 11 1 4.8555 bmse011674 1 12 12 1 2.9711 bmse011674 1 13 13 1 0.0000 bmse011674 1 14 14 1 1.7881 bmse011674 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011674 1 2 bmse011674 1 3 bmse011674 1 4 bmse011674 1 5 bmse011674 1 6 bmse011674 1 7 bmse011674 1 8 bmse011674 1 9 bmse011674 1 10 bmse011674 1 11 bmse011674 1 12 bmse011674 1 13 bmse011674 1 14 bmse011674 1 15 bmse011674 1 16 bmse011674 1 17 bmse011674 1 18 bmse011674 1 19 bmse011674 1 20 bmse011674 1 21 bmse011674 1 22 bmse011674 1 23 bmse011674 1 24 bmse011674 1 25 bmse011674 1 26 bmse011674 1 27 bmse011674 1 28 bmse011674 1 29 bmse011674 1 30 bmse011674 1 31 bmse011674 1 32 bmse011674 1 33 bmse011674 1 34 bmse011674 1 35 bmse011674 1 36 bmse011674 1 37 bmse011674 1 38 bmse011674 1 39 bmse011674 1 40 bmse011674 1 41 bmse011674 1 42 bmse011674 1 43 bmse011674 1 44 bmse011674 1 45 bmse011674 1 46 bmse011674 1 47 bmse011674 1 48 bmse011674 1 49 bmse011674 1 50 bmse011674 1 51 bmse011674 1 52 bmse011674 1 53 bmse011674 1 54 bmse011674 1 55 bmse011674 1 56 bmse011674 1 57 bmse011674 1 58 bmse011674 1 59 bmse011674 1 60 bmse011674 1 61 bmse011674 1 62 bmse011674 1 63 bmse011674 1 64 bmse011674 1 65 bmse011674 1 66 bmse011674 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 5.8975 bmse011674 1 2 1 5.8870 bmse011674 1 3 1 1.2516 bmse011674 1 4 1 1.2458 bmse011674 1 5 1 1.2397 bmse011674 1 6 1 1.2320 bmse011674 1 7 1 1.2313 bmse011674 1 8 1 1.2260 bmse011674 1 9 1 1.2205 bmse011674 1 10 1 1.2197 bmse011674 1 11 1 1.2043 bmse011674 1 12 1 1.1893 bmse011674 1 13 1 1.1836 bmse011674 1 14 1 1.1777 bmse011674 1 15 1 3.3156 bmse011674 1 16 1 3.3038 bmse011674 1 17 1 3.2967 bmse011674 1 18 1 3.2914 bmse011674 1 19 1 3.2838 bmse011674 1 20 1 3.2695 bmse011674 1 21 1 3.2677 bmse011674 1 22 1 3.2607 bmse011674 1 23 1 6.3338 bmse011674 1 24 1 6.3289 bmse011674 1 25 1 6.3256 bmse011674 1 26 1 1.6141 bmse011674 1 27 1 1.6079 bmse011674 1 28 1 1.6013 bmse011674 1 29 1 1.5916 bmse011674 1 30 1 1.5850 bmse011674 1 31 1 1.5789 bmse011674 1 32 1 6.2304 bmse011674 1 33 1 6.2207 bmse011674 1 34 1 6.2086 bmse011674 1 35 1 4.1835 bmse011674 1 36 1 4.1932 bmse011674 1 37 1 1.4951 bmse011674 1 38 1 1.4892 bmse011674 1 39 1 1.4826 bmse011674 1 40 1 1.4737 bmse011674 1 41 1 1.4669 bmse011674 1 42 1 1.4606 bmse011674 1 43 1 7.3695 bmse011674 1 44 1 7.3714 bmse011674 1 45 1 1.7353 bmse011674 1 46 1 1.7294 bmse011674 1 47 1 1.7221 bmse011674 1 48 1 1.7142 bmse011674 1 49 1 1.7083 bmse011674 1 50 1 1.1108 bmse011674 1 51 1 1.1048 bmse011674 1 52 1 1.0993 bmse011674 1 53 1 1.0923 bmse011674 1 54 1 1.0866 bmse011674 1 55 1 1.0719 bmse011674 1 56 1 1.0661 bmse011674 1 57 1 1.0518 bmse011674 1 58 1 1.0461 bmse011674 1 59 1 6.1767 bmse011674 1 60 1 6.1816 bmse011674 1 61 1 2.4368 bmse011674 1 62 1 2.5970 bmse011674 1 63 1 2.6000 bmse011674 1 64 1 2.6029 bmse011674 1 65 1 2.6060 bmse011674 1 66 1 2.6089 bmse011674 1 stop_ save_