######################### # 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 bmse011231 _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 bmse011231 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 bmse011231 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011231 1 2 bmse011231 1 3 bmse011231 1 4 bmse011231 1 5 bmse011231 1 6 bmse011231 1 7 bmse011231 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 7.4663 m_1H bmse011231 1 2 1 1.9271 quint_3H bmse011231 1 3 1 3.5299 m_3H_Q1 bmse011231 1 4 1 3.2911 m_3H bmse011231 1 5 1 2.6032 DMSO bmse011231 1 6 1 1.8415 quint_3H bmse011231 1 7 1 7.0513 m_2H bmse011231 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 5.0801 bmse011231 1 2 2 1 6.9325 bmse011231 1 3 3 1 7.1526 bmse011231 1 4 4 1 8.3997 bmse011231 1 5 5 1 1.9532 bmse011231 1 6 6 1 6.8224 bmse011231 1 7 7 1 8.1979 bmse011231 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011231 1 2 bmse011231 1 3 bmse011231 1 4 bmse011231 1 5 bmse011231 1 6 bmse011231 1 7 bmse011231 1 8 bmse011231 1 9 bmse011231 1 10 bmse011231 1 11 bmse011231 1 12 bmse011231 1 13 bmse011231 1 14 bmse011231 1 15 bmse011231 1 16 bmse011231 1 17 bmse011231 1 18 bmse011231 1 19 bmse011231 1 20 bmse011231 1 21 bmse011231 1 22 bmse011231 1 23 bmse011231 1 24 bmse011231 1 25 bmse011231 1 26 bmse011231 1 27 bmse011231 1 28 bmse011231 1 29 bmse011231 1 30 bmse011231 1 31 bmse011231 1 32 bmse011231 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 7.4917 bmse011231 1 2 1 7.4805 bmse011231 1 3 1 7.4774 bmse011231 1 4 1 7.4662 bmse011231 1 5 1 7.4552 bmse011231 1 6 1 7.4521 bmse011231 1 7 1 7.4409 bmse011231 1 8 1 1.9040 bmse011231 1 9 1 1.9150 bmse011231 1 10 1 1.9273 bmse011231 1 11 1 1.9386 bmse011231 1 12 1 1.9502 bmse011231 1 13 1 3.5418 bmse011231 1 14 1 3.5299 bmse011231 1 15 1 3.5180 bmse011231 1 16 1 3.3121 bmse011231 1 17 1 3.3005 bmse011231 1 18 1 3.2892 bmse011231 1 19 1 3.2701 bmse011231 1 20 1 2.5967 bmse011231 1 21 1 2.6001 bmse011231 1 22 1 2.6033 bmse011231 1 23 1 2.6064 bmse011231 1 24 1 2.6097 bmse011231 1 25 1 1.8187 bmse011231 1 26 1 1.8301 bmse011231 1 27 1 1.8415 bmse011231 1 28 1 1.8528 bmse011231 1 29 1 1.8642 bmse011231 1 30 1 7.0650 bmse011231 1 31 1 7.0514 bmse011231 1 32 1 7.0377 bmse011231 1 stop_ save_