######################### # 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 bmse011284 _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 bmse011284 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 bmse011284 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011284 1 2 bmse011284 1 4 bmse011284 1 5 bmse011284 1 6 bmse011284 1 7 bmse011284 1 8 bmse011284 1 9 bmse011284 1 10 bmse011284 1 11 bmse011284 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 7.0979 12_d bmse011284 1 2 1 7.7209 10_dd_Q3 bmse011284 1 3 1 4.6500 SUP bmse011284 1 4 1 2.4870 13_m_Q2 bmse011284 1 5 1 7.4378 9_d bmse011284 1 6 1 2.0389 13,15_m bmse011284 1 7 1 2.6201 DMSO_11_m bmse011284 1 8 1 2.1433 15_m_Q1 bmse011284 1 9 1 3.3960 6,11_m bmse011284 1 10 1 2.3941 14_s bmse011284 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 7.5927 bmse011284 1 2 2 1 7.8678 bmse011284 1 3 2 1 7.8678 bmse011284 1 4 3 1 0.0000 bmse011284 1 5 4 1 7.0865 bmse011284 1 6 5 1 7.5927 bmse011284 1 7 6 1 62.3436 bmse011284 1 8 7 1 68.5368 bmse011284 1 9 8 1 6.9765 bmse011284 1 10 9 1 90.7531 bmse011284 1 11 10 1 0.0000 bmse011284 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011284 1 2 bmse011284 1 3 bmse011284 1 4 bmse011284 1 5 bmse011284 1 6 bmse011284 1 7 bmse011284 1 8 bmse011284 1 9 bmse011284 1 10 bmse011284 1 11 bmse011284 1 12 bmse011284 1 13 bmse011284 1 14 bmse011284 1 15 bmse011284 1 16 bmse011284 1 17 bmse011284 1 18 bmse011284 1 19 bmse011284 1 20 bmse011284 1 21 bmse011284 1 22 bmse011284 1 23 bmse011284 1 24 bmse011284 1 25 bmse011284 1 26 bmse011284 1 27 bmse011284 1 28 bmse011284 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 7.0916 bmse011284 1 2 1 7.1042 bmse011284 1 3 1 7.7340 bmse011284 1 4 1 7.7210 bmse011284 1 5 1 7.7210 bmse011284 1 6 1 7.7078 bmse011284 1 7 1 4.6500 bmse011284 1 8 1 2.5165 bmse011284 1 9 1 2.5046 bmse011284 1 10 1 2.4922 bmse011284 1 11 1 2.4823 bmse011284 1 12 1 2.4692 bmse011284 1 13 1 2.4575 bmse011284 1 14 1 7.4315 bmse011284 1 15 1 7.4442 bmse011284 1 16 1 2.0909 bmse011284 1 17 1 1.9870 bmse011284 1 18 1 2.6772 bmse011284 1 19 1 2.5630 bmse011284 1 20 1 2.1724 bmse011284 1 21 1 2.1603 bmse011284 1 22 1 2.1486 bmse011284 1 23 1 2.1374 bmse011284 1 24 1 2.1260 bmse011284 1 25 1 2.1143 bmse011284 1 26 1 3.4716 bmse011284 1 27 1 3.3204 bmse011284 1 28 1 2.3941 bmse011284 1 stop_ save_