######################### # 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 bmse011391 _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 bmse011391 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 bmse011391 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011391 1 2 bmse011391 1 3 bmse011391 1 4 bmse011391 1 5 bmse011391 1 6 bmse011391 1 7 bmse011391 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 bmse011391 1 2 1 3.7885 10_m bmse011391 1 3 1 3.4485 5,6_m_Q3 bmse011391 1 4 1 1.5250 7,8_m_Q1 bmse011391 1 5 1 2.6032 DMSO bmse011391 1 6 1 2.9078 5,6,9_m bmse011391 1 7 1 1.9056 7,8_m_Q2 bmse011391 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 bmse011391 1 2 2 1 4.3466 bmse011391 1 3 3 1 5.2269 bmse011391 1 4 4 1 3.2812 bmse011391 1 5 5 1 1.8432 bmse011391 1 6 6 1 89.6466 bmse011391 1 7 7 1 2.0907 bmse011391 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011391 1 2 bmse011391 1 3 bmse011391 1 4 bmse011391 1 5 bmse011391 1 6 bmse011391 1 7 bmse011391 1 8 bmse011391 1 9 bmse011391 1 10 bmse011391 1 11 bmse011391 1 12 bmse011391 1 13 bmse011391 1 14 bmse011391 1 15 bmse011391 1 16 bmse011391 1 17 bmse011391 1 18 bmse011391 1 19 bmse011391 1 20 bmse011391 1 21 bmse011391 1 22 bmse011391 1 23 bmse011391 1 24 bmse011391 1 25 bmse011391 1 26 bmse011391 1 27 bmse011391 1 28 bmse011391 1 29 bmse011391 1 30 bmse011391 1 31 bmse011391 1 32 bmse011391 1 33 bmse011391 1 34 bmse011391 1 35 bmse011391 1 36 bmse011391 1 37 bmse011391 1 38 bmse011391 1 39 bmse011391 1 40 bmse011391 1 41 bmse011391 1 42 bmse011391 1 43 bmse011391 1 44 bmse011391 1 45 bmse011391 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 bmse011391 1 2 1 3.8102 bmse011391 1 3 1 3.8035 bmse011391 1 4 1 3.7954 bmse011391 1 5 1 3.7884 bmse011391 1 6 1 3.7814 bmse011391 1 7 1 3.7736 bmse011391 1 8 1 3.7668 bmse011391 1 9 1 3.4659 bmse011391 1 10 1 3.4588 bmse011391 1 11 1 3.4485 bmse011391 1 12 1 3.4382 bmse011391 1 13 1 3.4311 bmse011391 1 14 1 1.5551 bmse011391 1 15 1 1.5485 bmse011391 1 16 1 1.5393 bmse011391 1 17 1 1.5329 bmse011391 1 18 1 1.5265 bmse011391 1 19 1 1.5261 bmse011391 1 20 1 1.5237 bmse011391 1 21 1 1.5233 bmse011391 1 22 1 1.5171 bmse011391 1 23 1 1.5107 bmse011391 1 24 1 1.5015 bmse011391 1 25 1 1.4949 bmse011391 1 26 1 2.5970 bmse011391 1 27 1 2.6000 bmse011391 1 28 1 2.6031 bmse011391 1 29 1 2.6062 bmse011391 1 30 1 2.6093 bmse011391 1 31 1 2.9825 bmse011391 1 32 1 2.8332 bmse011391 1 33 1 1.9265 bmse011391 1 34 1 1.9260 bmse011391 1 35 1 1.9199 bmse011391 1 36 1 1.9161 bmse011391 1 37 1 1.9133 bmse011391 1 38 1 1.9065 bmse011391 1 39 1 1.9043 bmse011391 1 40 1 1.8976 bmse011391 1 41 1 1.8950 bmse011391 1 42 1 1.8911 bmse011391 1 43 1 1.8886 bmse011391 1 44 1 1.8851 bmse011391 1 45 1 1.8847 bmse011391 1 stop_ save_