######################### # 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 bmse011181 _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 bmse011181 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 bmse011181 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011181 1 2 bmse011181 1 3 bmse011181 1 4 bmse011181 1 5 bmse011181 1 7 bmse011181 1 8 bmse011181 1 9 bmse011181 1 10 bmse011181 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 bmse011181 1 2 1 2.6032 DMSO bmse011181 1 3 1 6.9821 d_1H_Q1 bmse011181 1 4 1 3.1460 s_3H bmse011181 1 5 1 6.5461 dd_1H bmse011181 1 6 1 3.7022 m_1H bmse011181 1 7 1 2.4854 Imp1 bmse011181 1 8 1 7.6114 m_1H bmse011181 1 9 1 3.8651 m_1H bmse011181 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 bmse011181 1 2 2 1 1.9532 bmse011181 1 3 3 1 3.5213 bmse011181 1 4 4 1 0.0000 bmse011181 1 5 5 1 3.5213 bmse011181 1 6 5 1 1.7606 bmse011181 1 7 6 1 5.6945 bmse011181 1 8 7 1 0.0000 bmse011181 1 9 8 1 1.1004 bmse011181 1 10 9 1 7.7578 bmse011181 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011181 1 2 bmse011181 1 3 bmse011181 1 4 bmse011181 1 5 bmse011181 1 6 bmse011181 1 7 bmse011181 1 8 bmse011181 1 9 bmse011181 1 10 bmse011181 1 11 bmse011181 1 12 bmse011181 1 13 bmse011181 1 14 bmse011181 1 15 bmse011181 1 16 bmse011181 1 17 bmse011181 1 18 bmse011181 1 19 bmse011181 1 20 bmse011181 1 21 bmse011181 1 22 bmse011181 1 23 bmse011181 1 24 bmse011181 1 25 bmse011181 1 26 bmse011181 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 bmse011181 1 2 1 2.5967 bmse011181 1 3 1 2.6001 bmse011181 1 4 1 2.6033 bmse011181 1 5 1 2.6062 bmse011181 1 6 1 2.6097 bmse011181 1 7 1 6.9792 bmse011181 1 8 1 6.9851 bmse011181 1 9 1 3.1460 bmse011181 1 10 1 6.5505 bmse011181 1 11 1 6.5476 bmse011181 1 12 1 6.5447 bmse011181 1 13 1 6.5417 bmse011181 1 14 1 3.7211 bmse011181 1 15 1 3.7098 bmse011181 1 16 1 3.7055 bmse011181 1 17 1 3.6903 bmse011181 1 18 1 3.6832 bmse011181 1 19 1 2.4854 bmse011181 1 20 1 7.6123 bmse011181 1 21 1 7.6105 bmse011181 1 22 1 3.8909 bmse011181 1 23 1 3.8817 bmse011181 1 24 1 3.8663 bmse011181 1 25 1 3.8467 bmse011181 1 26 1 3.8392 bmse011181 1 stop_ save_