######################### # 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 bmse011121 _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 bmse011121 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 bmse011121 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011121 1 2 bmse011121 1 3 bmse011121 1 4 bmse011121 1 5 bmse011121 1 6 bmse011121 1 7 bmse011121 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 2.5178 14_s_Q3 bmse011121 1 2 1 4.6500 SUP bmse011121 1 3 1 2.0235 13_m_Q2 bmse011121 1 4 1 2.6938 11,12_m bmse011121 1 5 1 3.5881 3_m bmse011121 1 6 1 1.7274 10,13_m_Q1 bmse011121 1 7 1 2.6030 DMSO bmse011121 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 bmse011121 1 2 2 1 0.0000 bmse011121 1 3 3 1 2.4209 bmse011121 1 4 4 1 56.2917 bmse011121 1 5 5 1 7.7853 bmse011121 1 6 6 1 261.2931 bmse011121 1 7 7 1 1.9532 bmse011121 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011121 1 2 bmse011121 1 3 bmse011121 1 4 bmse011121 1 5 bmse011121 1 6 bmse011121 1 7 bmse011121 1 8 bmse011121 1 9 bmse011121 1 10 bmse011121 1 11 bmse011121 1 12 bmse011121 1 13 bmse011121 1 14 bmse011121 1 15 bmse011121 1 16 bmse011121 1 17 bmse011121 1 18 bmse011121 1 19 bmse011121 1 20 bmse011121 1 21 bmse011121 1 22 bmse011121 1 23 bmse011121 1 24 bmse011121 1 25 bmse011121 1 26 bmse011121 1 27 bmse011121 1 28 bmse011121 1 29 bmse011121 1 30 bmse011121 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 2.5178 bmse011121 1 2 1 4.6500 bmse011121 1 3 1 2.0497 bmse011121 1 4 1 2.0448 bmse011121 1 5 1 2.0397 bmse011121 1 6 1 2.0391 bmse011121 1 7 1 2.0347 bmse011121 1 8 1 2.0301 bmse011121 1 9 1 2.0272 bmse011121 1 10 1 2.0228 bmse011121 1 11 1 2.0193 bmse011121 1 12 1 2.0171 bmse011121 1 13 1 2.0123 bmse011121 1 14 1 2.0078 bmse011121 1 15 1 2.0021 bmse011121 1 16 1 1.9973 bmse011121 1 17 1 2.7407 bmse011121 1 18 1 2.6469 bmse011121 1 19 1 3.6141 bmse011121 1 20 1 3.6034 bmse011121 1 21 1 3.5928 bmse011121 1 22 1 3.5739 bmse011121 1 23 1 3.5622 bmse011121 1 24 1 1.9451 bmse011121 1 25 1 1.5097 bmse011121 1 26 1 2.5965 bmse011121 1 27 1 2.5998 bmse011121 1 28 1 2.6029 bmse011121 1 29 1 2.6060 bmse011121 1 30 1 2.6095 bmse011121 1 stop_ save_