######################### # 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 bmse011243 _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 bmse011243 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 bmse011243 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011243 1 2 bmse011243 1 3 bmse011243 1 4 bmse011243 1 5 bmse011243 1 6 bmse011243 1 7 bmse011243 1 8 bmse011243 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 2.2290 q_2H_Q1 bmse011243 1 2 1 4.6500 SUP bmse011243 1 3 1 2.6030 DMSO bmse011243 1 4 1 1.8102 m_2H bmse011243 1 5 1 2.7926 t_2H bmse011243 1 6 1 1.0246 t_3H bmse011243 1 7 1 1.9052 m_2H bmse011243 1 8 1 3.8619 t_2H bmse011243 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 7.7028 bmse011243 1 2 2 1 0.0000 bmse011243 1 3 3 1 1.8432 bmse011243 1 4 4 1 3.0673 bmse011243 1 5 5 1 6.5473 bmse011243 1 6 6 1 7.6477 bmse011243 1 7 7 1 2.9573 bmse011243 1 8 8 1 6.1622 bmse011243 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011243 1 2 bmse011243 1 3 bmse011243 1 4 bmse011243 1 5 bmse011243 1 6 bmse011243 1 7 bmse011243 1 8 bmse011243 1 9 bmse011243 1 10 bmse011243 1 11 bmse011243 1 12 bmse011243 1 13 bmse011243 1 14 bmse011243 1 15 bmse011243 1 16 bmse011243 1 17 bmse011243 1 18 bmse011243 1 19 bmse011243 1 20 bmse011243 1 21 bmse011243 1 22 bmse011243 1 23 bmse011243 1 24 bmse011243 1 25 bmse011243 1 26 bmse011243 1 27 bmse011243 1 28 bmse011243 1 29 bmse011243 1 30 bmse011243 1 31 bmse011243 1 32 bmse011243 1 33 bmse011243 1 34 bmse011243 1 35 bmse011243 1 36 bmse011243 1 37 bmse011243 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 2.2098 bmse011243 1 2 1 2.2226 bmse011243 1 3 1 2.2355 bmse011243 1 4 1 2.2483 bmse011243 1 5 1 4.6500 bmse011243 1 6 1 2.5968 bmse011243 1 7 1 2.6000 bmse011243 1 8 1 2.6031 bmse011243 1 9 1 2.6062 bmse011243 1 10 1 2.6091 bmse011243 1 11 1 1.8306 bmse011243 1 12 1 1.8268 bmse011243 1 13 1 1.8200 bmse011243 1 14 1 1.8163 bmse011243 1 15 1 1.8094 bmse011243 1 16 1 1.8055 bmse011243 1 17 1 1.8006 bmse011243 1 18 1 1.7949 bmse011243 1 19 1 1.7898 bmse011243 1 20 1 2.7817 bmse011243 1 21 1 2.7925 bmse011243 1 22 1 2.8035 bmse011243 1 23 1 1.0118 bmse011243 1 24 1 1.0245 bmse011243 1 25 1 1.0373 bmse011243 1 26 1 1.9249 bmse011243 1 27 1 1.9194 bmse011243 1 28 1 1.9148 bmse011243 1 29 1 1.9098 bmse011243 1 30 1 1.9054 bmse011243 1 31 1 1.8992 bmse011243 1 32 1 1.8955 bmse011243 1 33 1 1.8895 bmse011243 1 34 1 1.8855 bmse011243 1 35 1 3.8517 bmse011243 1 36 1 3.8619 bmse011243 1 37 1 3.8722 bmse011243 1 stop_ save_