######################### # 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 bmse011691 _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 bmse011691 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 bmse011691 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011691 1 2 bmse011691 1 3 bmse011691 1 4 bmse011691 1 5 bmse011691 1 6 bmse011691 1 7 bmse011691 1 8 bmse011691 1 10 bmse011691 1 11 bmse011691 1 12 bmse011691 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 3.8409 5_m bmse011691 1 2 1 2.5109 9_m bmse011691 1 3 1 2.6217 DMSO_7_m bmse011691 1 4 1 7.1922 14,15,18_m bmse011691 1 5 1 1.7936 10_m_Q2 bmse011691 1 6 1 1.1290 11,12_m bmse011691 1 7 1 3.5965 6_m_Q3 bmse011691 1 8 1 7.2863 16,17_dd bmse011691 1 9 1 4.6500 SUP bmse011691 1 10 1 3.0225 6_m bmse011691 1 11 1 1.5996 10,11_m_Q1 bmse011691 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 16.6526 bmse011691 1 2 2 1 7.2626 bmse011691 1 3 3 1 79.9783 bmse011691 1 4 4 1 57.9573 bmse011691 1 5 5 1 2.9931 bmse011691 1 6 6 1 122.7841 bmse011691 1 7 7 1 4.3741 bmse011691 1 8 8 1 7.4827 bmse011691 1 9 8 1 7.4827 bmse011691 1 10 9 1 0.0000 bmse011691 1 11 10 1 5.8321 bmse011691 1 12 11 1 115.6489 bmse011691 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011691 1 2 bmse011691 1 3 bmse011691 1 4 bmse011691 1 5 bmse011691 1 6 bmse011691 1 7 bmse011691 1 8 bmse011691 1 9 bmse011691 1 10 bmse011691 1 11 bmse011691 1 12 bmse011691 1 13 bmse011691 1 14 bmse011691 1 15 bmse011691 1 16 bmse011691 1 17 bmse011691 1 18 bmse011691 1 19 bmse011691 1 20 bmse011691 1 21 bmse011691 1 22 bmse011691 1 23 bmse011691 1 24 bmse011691 1 25 bmse011691 1 26 bmse011691 1 27 bmse011691 1 28 bmse011691 1 29 bmse011691 1 30 bmse011691 1 31 bmse011691 1 32 bmse011691 1 33 bmse011691 1 34 bmse011691 1 35 bmse011691 1 36 bmse011691 1 37 bmse011691 1 38 bmse011691 1 39 bmse011691 1 40 bmse011691 1 41 bmse011691 1 42 bmse011691 1 43 bmse011691 1 44 bmse011691 1 45 bmse011691 1 46 bmse011691 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 3.8825 bmse011691 1 2 1 3.8511 bmse011691 1 3 1 3.8306 bmse011691 1 4 1 3.7992 bmse011691 1 5 1 2.5169 bmse011691 1 6 1 2.5048 bmse011691 1 7 1 2.6884 bmse011691 1 8 1 2.5551 bmse011691 1 9 1 7.2405 bmse011691 1 10 1 7.1439 bmse011691 1 11 1 1.8310 bmse011691 1 12 1 1.8253 bmse011691 1 13 1 1.8250 bmse011691 1 14 1 1.8189 bmse011691 1 15 1 1.8125 bmse011691 1 16 1 1.8063 bmse011691 1 17 1 1.8057 bmse011691 1 18 1 1.8000 bmse011691 1 19 1 1.7938 bmse011691 1 20 1 1.7876 bmse011691 1 21 1 1.7817 bmse011691 1 22 1 1.7751 bmse011691 1 23 1 1.7687 bmse011691 1 24 1 1.7677 bmse011691 1 25 1 1.7624 bmse011691 1 26 1 1.7562 bmse011691 1 27 1 1.2313 bmse011691 1 28 1 1.0267 bmse011691 1 29 1 3.6111 bmse011691 1 30 1 3.6078 bmse011691 1 31 1 3.6054 bmse011691 1 32 1 3.5851 bmse011691 1 33 1 3.5820 bmse011691 1 34 1 7.2988 bmse011691 1 35 1 7.2861 bmse011691 1 36 1 7.2861 bmse011691 1 37 1 7.2738 bmse011691 1 38 1 4.6500 bmse011691 1 39 1 3.0468 bmse011691 1 40 1 3.0424 bmse011691 1 41 1 3.0242 bmse011691 1 42 1 3.0206 bmse011691 1 43 1 3.0028 bmse011691 1 44 1 2.9982 bmse011691 1 45 1 1.6959 bmse011691 1 46 1 1.5032 bmse011691 1 stop_ save_