######################### # 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 bmse011335 _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 bmse011335 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 bmse011335 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011335 1 2 bmse011335 1 3 bmse011335 1 4 bmse011335 1 5 bmse011335 1 6 bmse011335 1 7 bmse011335 1 8 bmse011335 1 10 bmse011335 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 1.9012 s_1H bmse011335 1 2 1 2.6034 DMSO bmse011335 1 3 1 0.8247 m_6H bmse011335 1 4 1 4.6500 SUP bmse011335 1 5 1 7.0245 d_1H bmse011335 1 6 1 3.6305 m_3H bmse011335 1 7 1 3.8645 s_2H bmse011335 1 8 1 6.5650 dd_1H_Q1 bmse011335 1 9 1 7.6353 d_1H bmse011335 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 bmse011335 1 2 2 1 1.9532 bmse011335 1 3 3 1 2.8519 bmse011335 1 4 4 1 0.0000 bmse011335 1 5 5 1 3.5213 bmse011335 1 6 6 1 0.0000 bmse011335 1 7 7 1 0.0000 bmse011335 1 8 8 1 3.4662 bmse011335 1 9 8 1 1.5956 bmse011335 1 10 9 1 0.7703 bmse011335 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011335 1 2 bmse011335 1 3 bmse011335 1 4 bmse011335 1 5 bmse011335 1 6 bmse011335 1 7 bmse011335 1 8 bmse011335 1 9 bmse011335 1 10 bmse011335 1 11 bmse011335 1 12 bmse011335 1 13 bmse011335 1 14 bmse011335 1 15 bmse011335 1 16 bmse011335 1 17 bmse011335 1 18 bmse011335 1 19 bmse011335 1 20 bmse011335 1 21 bmse011335 1 22 bmse011335 1 23 bmse011335 1 24 bmse011335 1 25 bmse011335 1 26 bmse011335 1 27 bmse011335 1 28 bmse011335 1 29 bmse011335 1 30 bmse011335 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 1.9012 bmse011335 1 2 1 2.5968 bmse011335 1 3 1 2.6005 bmse011335 1 4 1 2.6033 bmse011335 1 5 1 2.6062 bmse011335 1 6 1 2.6099 bmse011335 1 7 1 0.8532 bmse011335 1 8 1 0.8451 bmse011335 1 9 1 0.8406 bmse011335 1 10 1 0.8343 bmse011335 1 11 1 0.8318 bmse011335 1 12 1 0.8270 bmse011335 1 13 1 0.8230 bmse011335 1 14 1 0.8226 bmse011335 1 15 1 0.8136 bmse011335 1 16 1 0.8085 bmse011335 1 17 1 0.8044 bmse011335 1 18 1 0.8008 bmse011335 1 19 1 0.7962 bmse011335 1 20 1 4.6500 bmse011335 1 21 1 7.0216 bmse011335 1 22 1 7.0274 bmse011335 1 23 1 3.6305 bmse011335 1 24 1 3.8645 bmse011335 1 25 1 6.5692 bmse011335 1 26 1 6.5667 bmse011335 1 27 1 6.5636 bmse011335 1 28 1 6.5608 bmse011335 1 29 1 7.6347 bmse011335 1 30 1 7.6360 bmse011335 1 stop_ save_