######################### # 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 bmse011605 _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 bmse011605 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 bmse011605 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011605 1 4 bmse011605 1 5 bmse011605 1 6 bmse011605 1 8 bmse011605 1 9 bmse011605 1 10 bmse011605 1 11 bmse011605 1 12 bmse011605 1 13 bmse011605 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 1.6068 6,7_ddd_Q2 bmse011605 1 2 1 3.0767 14_q bmse011605 1 3 1 7.0079 10,11_d bmse011605 1 4 1 3.1744 3,4_dd_Q3 bmse011605 1 5 1 1.2128 15_t_Q1 bmse011605 1 6 1 3.4833 8_m bmse011605 1 7 1 2.6025 DMSO bmse011605 1 8 1 4.6500 SUP bmse011605 1 9 1 2.2009 6,7_m bmse011605 1 10 1 7.9847 12,13_d bmse011605 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 24.7313 bmse011605 1 2 1 1 12.6270 bmse011605 1 3 1 1 4.0990 bmse011605 1 4 2 1 7.3360 bmse011605 1 5 3 1 7.5927 bmse011605 1 6 4 1 14.3051 bmse011605 1 7 4 1 14.3051 bmse011605 1 8 5 1 7.3176 bmse011605 1 9 6 1 4.0164 bmse011605 1 10 7 1 0.0000 bmse011605 1 11 8 1 0.0000 bmse011605 1 12 9 1 3.4937 bmse011605 1 13 10 1 7.4827 bmse011605 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011605 1 2 bmse011605 1 3 bmse011605 1 4 bmse011605 1 5 bmse011605 1 6 bmse011605 1 7 bmse011605 1 8 bmse011605 1 9 bmse011605 1 10 bmse011605 1 11 bmse011605 1 12 bmse011605 1 13 bmse011605 1 14 bmse011605 1 15 bmse011605 1 16 bmse011605 1 17 bmse011605 1 18 bmse011605 1 19 bmse011605 1 20 bmse011605 1 21 bmse011605 1 22 bmse011605 1 23 bmse011605 1 24 bmse011605 1 25 bmse011605 1 26 bmse011605 1 27 bmse011605 1 28 bmse011605 1 29 bmse011605 1 30 bmse011605 1 31 bmse011605 1 32 bmse011605 1 33 bmse011605 1 34 bmse011605 1 35 bmse011605 1 36 bmse011605 1 37 bmse011605 1 38 bmse011605 1 39 bmse011605 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 1.6414 bmse011605 1 2 1 1.6345 bmse011605 1 3 1 1.6202 bmse011605 1 4 1 1.6136 bmse011605 1 5 1 1.6000 bmse011605 1 6 1 1.5934 bmse011605 1 7 1 1.5793 bmse011605 1 8 1 1.5721 bmse011605 1 9 1 3.0583 bmse011605 1 10 1 3.0706 bmse011605 1 11 1 3.0827 bmse011605 1 12 1 3.0950 bmse011605 1 13 1 7.0016 bmse011605 1 14 1 7.0142 bmse011605 1 15 1 3.1982 bmse011605 1 16 1 3.1744 bmse011605 1 17 1 3.1744 bmse011605 1 18 1 3.1506 bmse011605 1 19 1 1.2007 bmse011605 1 20 1 1.2128 bmse011605 1 21 1 1.2250 bmse011605 1 22 1 3.5101 bmse011605 1 23 1 3.5028 bmse011605 1 24 1 3.4952 bmse011605 1 25 1 3.4905 bmse011605 1 26 1 3.4831 bmse011605 1 27 1 3.4760 bmse011605 1 28 1 3.4705 bmse011605 1 29 1 3.4639 bmse011605 1 30 1 3.4566 bmse011605 1 31 1 2.6025 bmse011605 1 32 1 4.6500 bmse011605 1 33 1 2.2125 bmse011605 1 34 1 2.2102 bmse011605 1 35 1 2.2004 bmse011605 1 36 1 2.1916 bmse011605 1 37 1 2.1893 bmse011605 1 38 1 7.9784 bmse011605 1 39 1 7.9909 bmse011605 1 stop_ save_