######################### # 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 bmse011118 _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 bmse011118 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 bmse011118 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011118 1 4 bmse011118 1 5 bmse011118 1 6 bmse011118 1 7 bmse011118 1 8 bmse011118 1 9 bmse011118 1 11 bmse011118 1 12 bmse011118 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 0.3651 8,9_ddd bmse011118 1 2 1 4.6500 SUP bmse011118 1 3 1 0.8473 7_m bmse011118 1 4 1 1.0523 12,13_s_Q1 bmse011118 1 5 1 1.2654 14,15_s_Q2 bmse011118 1 6 1 2.6034 DMSO bmse011118 1 7 1 2.8868 11_dd bmse011118 1 8 1 3.3656 5_s_Q3 bmse011118 1 9 1 0.0719 8,9_m bmse011118 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 8.1154 bmse011118 1 2 1 1 5.8046 bmse011118 1 3 1 1 4.2640 bmse011118 1 4 2 1 0.0000 bmse011118 1 5 3 1 4.0577 bmse011118 1 6 4 1 0.0000 bmse011118 1 7 5 1 0.0000 bmse011118 1 8 6 1 1.7881 bmse011118 1 9 7 1 5.9971 bmse011118 1 10 7 1 5.9971 bmse011118 1 11 8 1 0.0000 bmse011118 1 12 9 1 4.9518 bmse011118 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011118 1 2 bmse011118 1 3 bmse011118 1 4 bmse011118 1 5 bmse011118 1 6 bmse011118 1 7 bmse011118 1 8 bmse011118 1 9 bmse011118 1 10 bmse011118 1 11 bmse011118 1 12 bmse011118 1 13 bmse011118 1 14 bmse011118 1 15 bmse011118 1 16 bmse011118 1 17 bmse011118 1 18 bmse011118 1 19 bmse011118 1 20 bmse011118 1 21 bmse011118 1 22 bmse011118 1 23 bmse011118 1 24 bmse011118 1 25 bmse011118 1 26 bmse011118 1 27 bmse011118 1 28 bmse011118 1 29 bmse011118 1 30 bmse011118 1 31 bmse011118 1 32 bmse011118 1 33 bmse011118 1 34 bmse011118 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 0.3802 bmse011118 1 2 1 0.3730 bmse011118 1 3 1 0.3705 bmse011118 1 4 1 0.3635 bmse011118 1 5 1 0.3668 bmse011118 1 6 1 0.3595 bmse011118 1 7 1 0.3569 bmse011118 1 8 1 0.3499 bmse011118 1 9 1 4.6500 bmse011118 1 10 1 0.8743 bmse011118 1 11 1 0.8649 bmse011118 1 12 1 0.8611 bmse011118 1 13 1 0.8528 bmse011118 1 14 1 0.8446 bmse011118 1 15 1 0.8417 bmse011118 1 16 1 0.8396 bmse011118 1 17 1 0.8323 bmse011118 1 18 1 0.8202 bmse011118 1 19 1 1.0523 bmse011118 1 20 1 1.2654 bmse011118 1 21 1 2.5974 bmse011118 1 22 1 2.6003 bmse011118 1 23 1 2.6033 bmse011118 1 24 1 2.6064 bmse011118 1 25 1 2.6093 bmse011118 1 26 1 2.8968 bmse011118 1 27 1 2.8871 bmse011118 1 28 1 2.8871 bmse011118 1 29 1 2.8768 bmse011118 1 30 1 3.3656 bmse011118 1 31 1 0.0843 bmse011118 1 32 1 0.0766 bmse011118 1 33 1 0.0670 bmse011118 1 34 1 0.0595 bmse011118 1 stop_ save_