######################### # 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 bmse011299 _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 bmse011299 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 bmse011299 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011299 1 2 bmse011299 1 3 bmse011299 1 4 bmse011299 1 5 bmse011299 1 6 bmse011299 1 7 bmse011299 1 8 bmse011299 1 9 bmse011299 1 10 bmse011299 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 bmse011299 1 2 1 3.7811 s_4H bmse011299 1 3 1 2.0205 d_2H bmse011299 1 4 1 7.3783 t_1H bmse011299 1 5 1 4.1989 s_1H_Q1 bmse011299 1 6 1 1.8038 m_2H bmse011299 1 7 1 2.9931 m_2H bmse011299 1 8 1 2.6029 DMSO bmse011299 1 9 1 7.0301 m_4H bmse011299 1 10 1 3.4539 d_2H bmse011299 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 bmse011299 1 2 2 1 0.0000 bmse011299 1 3 3 1 13.5348 bmse011299 1 4 4 1 7.9228 bmse011299 1 5 5 1 0.0000 bmse011299 1 6 6 1 7.4607 bmse011299 1 7 7 1 8.5831 bmse011299 1 8 8 1 1.9257 bmse011299 1 9 9 1 4.7003 bmse011299 1 10 10 1 11.3341 bmse011299 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011299 1 2 bmse011299 1 3 bmse011299 1 4 bmse011299 1 5 bmse011299 1 6 bmse011299 1 7 bmse011299 1 8 bmse011299 1 9 bmse011299 1 10 bmse011299 1 11 bmse011299 1 12 bmse011299 1 13 bmse011299 1 14 bmse011299 1 15 bmse011299 1 16 bmse011299 1 17 bmse011299 1 18 bmse011299 1 19 bmse011299 1 20 bmse011299 1 21 bmse011299 1 22 bmse011299 1 23 bmse011299 1 24 bmse011299 1 25 bmse011299 1 26 bmse011299 1 27 bmse011299 1 28 bmse011299 1 29 bmse011299 1 30 bmse011299 1 31 bmse011299 1 32 bmse011299 1 33 bmse011299 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 bmse011299 1 2 1 3.7811 bmse011299 1 3 1 2.0092 bmse011299 1 4 1 2.0318 bmse011299 1 5 1 7.3651 bmse011299 1 6 1 7.3783 bmse011299 1 7 1 7.3916 bmse011299 1 8 1 4.1989 bmse011299 1 9 1 1.8349 bmse011299 1 10 1 1.8292 bmse011299 1 11 1 1.8222 bmse011299 1 12 1 1.8052 bmse011299 1 13 1 1.7909 bmse011299 1 14 1 1.7727 bmse011299 1 15 1 3.0145 bmse011299 1 16 1 3.0063 bmse011299 1 17 1 2.9930 bmse011299 1 18 1 2.9716 bmse011299 1 19 1 2.5965 bmse011299 1 20 1 2.5998 bmse011299 1 21 1 2.6029 bmse011299 1 22 1 2.6060 bmse011299 1 23 1 2.6093 bmse011299 1 24 1 7.0575 bmse011299 1 25 1 7.0538 bmse011299 1 26 1 7.0436 bmse011299 1 27 1 7.0399 bmse011299 1 28 1 7.0316 bmse011299 1 29 1 7.0190 bmse011299 1 30 1 7.0058 bmse011299 1 31 1 7.0027 bmse011299 1 32 1 3.4445 bmse011299 1 33 1 3.4633 bmse011299 1 stop_ save_