######################### # 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 bmse011618 _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 bmse011618 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 bmse011618 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011618 1 2 bmse011618 1 3 bmse011618 1 4 bmse011618 1 5 bmse011618 1 6 bmse011618 1 7 bmse011618 1 8 bmse011618 1 9 bmse011618 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 4.6500 SUP bmse011618 1 2 1 1.5767 14_m_Q1 bmse011618 1 3 1 3.6623 11_s bmse011618 1 4 1 3.8937 7_d bmse011618 1 5 1 2.2210 6_m bmse011618 1 6 1 1.6767 9,10_m_Q2 bmse011618 1 7 1 1.7396 9,10_d_Q3 bmse011618 1 8 1 1.1918 12,13,14_m bmse011618 1 9 1 2.6029 DMSO bmse011618 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 0.0000 bmse011618 1 2 2 1 1.7606 bmse011618 1 3 3 1 0.0000 bmse011618 1 4 4 1 5.9421 bmse011618 1 5 5 1 3.7964 bmse011618 1 6 6 1 3.8954 bmse011618 1 7 7 1 15.5155 bmse011618 1 8 8 1 172.4864 bmse011618 1 9 9 1 1.8707 bmse011618 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011618 1 2 bmse011618 1 3 bmse011618 1 4 bmse011618 1 5 bmse011618 1 6 bmse011618 1 7 bmse011618 1 8 bmse011618 1 9 bmse011618 1 10 bmse011618 1 11 bmse011618 1 12 bmse011618 1 13 bmse011618 1 14 bmse011618 1 15 bmse011618 1 16 bmse011618 1 17 bmse011618 1 18 bmse011618 1 19 bmse011618 1 20 bmse011618 1 21 bmse011618 1 22 bmse011618 1 23 bmse011618 1 24 bmse011618 1 25 bmse011618 1 26 bmse011618 1 27 bmse011618 1 28 bmse011618 1 29 bmse011618 1 30 bmse011618 1 31 bmse011618 1 32 bmse011618 1 33 bmse011618 1 34 bmse011618 1 35 bmse011618 1 36 bmse011618 1 37 bmse011618 1 38 bmse011618 1 39 bmse011618 1 40 bmse011618 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 4.6500 bmse011618 1 2 1 1.5928 bmse011618 1 3 1 1.5899 bmse011618 1 4 1 1.5875 bmse011618 1 5 1 1.5851 bmse011618 1 6 1 1.5846 bmse011618 1 7 1 1.5820 bmse011618 1 8 1 1.5795 bmse011618 1 9 1 1.5716 bmse011618 1 10 1 1.5688 bmse011618 1 11 1 1.5661 bmse011618 1 12 1 1.5631 bmse011618 1 13 1 1.5606 bmse011618 1 14 1 3.6623 bmse011618 1 15 1 3.8887 bmse011618 1 16 1 3.8986 bmse011618 1 17 1 2.2463 bmse011618 1 18 1 2.2406 bmse011618 1 19 1 2.2351 bmse011618 1 20 1 2.2268 bmse011618 1 21 1 2.2212 bmse011618 1 22 1 2.2155 bmse011618 1 23 1 2.2074 bmse011618 1 24 1 2.2017 bmse011618 1 25 1 2.1957 bmse011618 1 26 1 1.6929 bmse011618 1 27 1 1.6876 bmse011618 1 28 1 1.6821 bmse011618 1 29 1 1.6715 bmse011618 1 30 1 1.6658 bmse011618 1 31 1 1.6605 bmse011618 1 32 1 1.7267 bmse011618 1 33 1 1.7525 bmse011618 1 34 1 1.3355 bmse011618 1 35 1 1.0481 bmse011618 1 36 1 2.5967 bmse011618 1 37 1 2.5998 bmse011618 1 38 1 2.6029 bmse011618 1 39 1 2.6060 bmse011618 1 40 1 2.6091 bmse011618 1 stop_ save_