######################### # 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 bmse011211 _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 bmse011211 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 bmse011211 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011211 1 2 bmse011211 1 3 bmse011211 1 4 bmse011211 1 5 bmse011211 1 6 bmse011211 1 7 bmse011211 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 2.6030 DMSO bmse011211 1 2 1 1.8705 9,10_m_Q1 bmse011211 1 3 1 8.1835 7,8_d_Q3 bmse011211 1 4 1 3.7618 4_s bmse011211 1 5 1 4.6500 SUP bmse011211 1 6 1 1.4962 9,10,11,12,1 bmse011211 1 7 1 6.5974 6_t_Q2 bmse011211 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 1.9532 bmse011211 1 2 2 1 4.0898 bmse011211 1 3 3 1 4.9518 bmse011211 1 4 4 1 0.0000 bmse011211 1 5 5 1 0.0000 bmse011211 1 6 6 1 223.2724 bmse011211 1 7 7 1 5.0068 bmse011211 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011211 1 2 bmse011211 1 3 bmse011211 1 4 bmse011211 1 5 bmse011211 1 6 bmse011211 1 7 bmse011211 1 8 bmse011211 1 9 bmse011211 1 10 bmse011211 1 11 bmse011211 1 12 bmse011211 1 13 bmse011211 1 14 bmse011211 1 15 bmse011211 1 16 bmse011211 1 17 bmse011211 1 18 bmse011211 1 19 bmse011211 1 20 bmse011211 1 21 bmse011211 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 2.5965 bmse011211 1 2 1 2.6000 bmse011211 1 3 1 2.6029 bmse011211 1 4 1 2.6058 bmse011211 1 5 1 2.6095 bmse011211 1 6 1 1.8910 bmse011211 1 7 1 1.8869 bmse011211 1 8 1 1.8794 bmse011211 1 9 1 1.8739 bmse011211 1 10 1 1.8673 bmse011211 1 11 1 1.8565 bmse011211 1 12 1 1.8501 bmse011211 1 13 1 8.1794 bmse011211 1 14 1 8.1876 bmse011211 1 15 1 3.7618 bmse011211 1 16 1 4.6500 bmse011211 1 17 1 1.6822 bmse011211 1 18 1 1.3102 bmse011211 1 19 1 6.5890 bmse011211 1 20 1 6.5973 bmse011211 1 21 1 6.6057 bmse011211 1 stop_ save_