######################### # 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 bmse011500 _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 bmse011500 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 bmse011500 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011500 1 2 bmse011500 1 3 bmse011500 1 4 bmse011500 1 5 bmse011500 1 6 bmse011500 1 7 bmse011500 1 8 bmse011500 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 bmse011500 1 2 1 1.0616 m_6H bmse011500 1 3 1 3.3013 t_1H bmse011500 1 4 1 3.7381 m_2H bmse011500 1 5 1 0.9135 d_2H bmse011500 1 6 1 3.1824 m_2H bmse011500 1 7 1 2.9865 d_1H_Q1 bmse011500 1 8 1 2.6027 DMSO bmse011500 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 bmse011500 1 2 2 1 7.1938 bmse011500 1 3 3 1 11.3341 bmse011500 1 4 4 1 9.2333 bmse011500 1 5 5 1 6.3823 bmse011500 1 6 6 1 9.7306 bmse011500 1 7 7 1 16.0657 bmse011500 1 8 8 1 0.0000 bmse011500 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011500 1 2 bmse011500 1 3 bmse011500 1 4 bmse011500 1 5 bmse011500 1 6 bmse011500 1 7 bmse011500 1 8 bmse011500 1 9 bmse011500 1 10 bmse011500 1 11 bmse011500 1 12 bmse011500 1 13 bmse011500 1 14 bmse011500 1 15 bmse011500 1 16 bmse011500 1 17 bmse011500 1 18 bmse011500 1 19 bmse011500 1 20 bmse011500 1 21 bmse011500 1 22 bmse011500 1 23 bmse011500 1 24 bmse011500 1 25 bmse011500 1 26 bmse011500 1 27 bmse011500 1 28 bmse011500 1 29 bmse011500 1 30 bmse011500 1 31 bmse011500 1 32 bmse011500 1 33 bmse011500 1 34 bmse011500 1 35 bmse011500 1 36 bmse011500 1 37 bmse011500 1 38 bmse011500 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 bmse011500 1 2 1 1.1095 bmse011500 1 3 1 1.0987 bmse011500 1 4 1 1.0956 bmse011500 1 5 1 1.0840 bmse011500 1 6 1 1.0646 bmse011500 1 7 1 1.0542 bmse011500 1 8 1 1.0380 bmse011500 1 9 1 1.0257 bmse011500 1 10 1 1.0136 bmse011500 1 11 1 3.2824 bmse011500 1 12 1 3.3016 bmse011500 1 13 1 3.3201 bmse011500 1 14 1 3.8227 bmse011500 1 15 1 3.8075 bmse011500 1 16 1 3.8031 bmse011500 1 17 1 3.7649 bmse011500 1 18 1 3.7484 bmse011500 1 19 1 3.7369 bmse011500 1 20 1 3.7310 bmse011500 1 21 1 3.7231 bmse011500 1 22 1 3.7169 bmse011500 1 23 1 3.7114 bmse011500 1 24 1 3.6713 bmse011500 1 25 1 3.6535 bmse011500 1 26 1 0.9082 bmse011500 1 27 1 0.9189 bmse011500 1 28 1 3.2391 bmse011500 1 29 1 3.2131 bmse011500 1 30 1 3.1790 bmse011500 1 31 1 3.1678 bmse011500 1 32 1 3.1579 bmse011500 1 33 1 3.1467 bmse011500 1 34 1 3.1366 bmse011500 1 35 1 3.1256 bmse011500 1 36 1 2.9731 bmse011500 1 37 1 2.9998 bmse011500 1 38 1 2.6027 bmse011500 1 stop_ save_