######################### # 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 bmse011669 _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 bmse011669 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 bmse011669 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011669 1 2 bmse011669 1 3 bmse011669 1 4 bmse011669 1 6 bmse011669 1 7 bmse011669 1 8 bmse011669 1 9 bmse011669 1 10 bmse011669 1 11 bmse011669 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 bmse011669 1 2 1 3.5760 12_q bmse011669 1 3 1 7.9134 18_m_Q2 bmse011669 1 4 1 7.5221 17_dd bmse011669 1 5 1 7.1175 10,11_d bmse011669 1 6 1 8.5035 14_d_Q3 bmse011669 1 7 1 2.8015 16_t bmse011669 1 8 1 2.6026 DMSO bmse011669 1 9 1 6.7443 8,9_m bmse011669 1 10 1 7.8558 15_d_Q1 bmse011669 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 bmse011669 1 2 2 1 6.7124 bmse011669 1 3 3 1 3.3672 bmse011669 1 4 4 1 7.4277 bmse011669 1 5 4 1 5.1168 bmse011669 1 6 5 1 8.4730 bmse011669 1 7 6 1 4.7317 bmse011669 1 8 7 1 6.9325 bmse011669 1 9 8 1 2.0082 bmse011669 1 10 9 1 2.8390 bmse011669 1 11 10 1 7.7028 bmse011669 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011669 1 2 bmse011669 1 3 bmse011669 1 4 bmse011669 1 5 bmse011669 1 6 bmse011669 1 7 bmse011669 1 8 bmse011669 1 9 bmse011669 1 10 bmse011669 1 11 bmse011669 1 12 bmse011669 1 13 bmse011669 1 14 bmse011669 1 15 bmse011669 1 16 bmse011669 1 17 bmse011669 1 18 bmse011669 1 19 bmse011669 1 20 bmse011669 1 21 bmse011669 1 22 bmse011669 1 23 bmse011669 1 24 bmse011669 1 25 bmse011669 1 26 bmse011669 1 27 bmse011669 1 28 bmse011669 1 29 bmse011669 1 30 bmse011669 1 31 bmse011669 1 32 bmse011669 1 33 bmse011669 1 34 bmse011669 1 35 bmse011669 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 bmse011669 1 2 1 3.5592 bmse011669 1 3 1 3.5706 bmse011669 1 4 1 3.5816 bmse011669 1 5 1 3.5928 bmse011669 1 6 1 7.9275 bmse011669 1 7 1 7.9253 bmse011669 1 8 1 7.9145 bmse011669 1 9 1 7.9124 bmse011669 1 10 1 7.9016 bmse011669 1 11 1 7.8994 bmse011669 1 12 1 7.5325 bmse011669 1 13 1 7.5239 bmse011669 1 14 1 7.5201 bmse011669 1 15 1 7.5116 bmse011669 1 16 1 7.1105 bmse011669 1 17 1 7.1246 bmse011669 1 18 1 8.4995 bmse011669 1 19 1 8.5074 bmse011669 1 20 1 2.7899 bmse011669 1 21 1 2.8015 bmse011669 1 22 1 2.8130 bmse011669 1 23 1 2.5959 bmse011669 1 24 1 2.5998 bmse011669 1 25 1 2.6025 bmse011669 1 26 1 2.6053 bmse011669 1 27 1 2.6093 bmse011669 1 28 1 6.7322 bmse011669 1 29 1 6.7374 bmse011669 1 30 1 6.7410 bmse011669 1 31 1 6.7476 bmse011669 1 32 1 6.7513 bmse011669 1 33 1 6.7559 bmse011669 1 34 1 7.8494 bmse011669 1 35 1 7.8622 bmse011669 1 stop_ save_