######################### # 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 bmse011576 _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 bmse011576 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 bmse011576 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011576 1 2 bmse011576 1 3 bmse011576 1 4 bmse011576 1 5 bmse011576 1 6 bmse011576 1 7 bmse011576 1 8 bmse011576 1 9 bmse011576 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 1.5297 m_9H_Q1 bmse011576 1 2 1 4.6500 SUP bmse011576 1 3 1 2.6029 DMSO bmse011576 1 4 1 1.1107 m_3H bmse011576 1 5 1 2.9657 m_2H bmse011576 1 6 1 1.2608 m_1H bmse011576 1 7 1 2.4857 Imp1 bmse011576 1 8 1 0.8593 m_2H bmse011576 1 9 1 2.7499 Imp2 bmse011576 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 9.0122 bmse011576 1 2 2 1 0.0000 bmse011576 1 3 3 1 1.9257 bmse011576 1 4 4 1 5.1132 bmse011576 1 5 5 1 7.9228 bmse011576 1 6 6 1 4.6531 bmse011576 1 7 7 1 0.0000 bmse011576 1 8 8 1 6.7491 bmse011576 1 9 9 1 0.0000 bmse011576 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011576 1 2 bmse011576 1 3 bmse011576 1 4 bmse011576 1 5 bmse011576 1 6 bmse011576 1 7 bmse011576 1 8 bmse011576 1 9 bmse011576 1 10 bmse011576 1 11 bmse011576 1 12 bmse011576 1 13 bmse011576 1 14 bmse011576 1 15 bmse011576 1 16 bmse011576 1 17 bmse011576 1 18 bmse011576 1 19 bmse011576 1 20 bmse011576 1 21 bmse011576 1 22 bmse011576 1 23 bmse011576 1 24 bmse011576 1 25 bmse011576 1 26 bmse011576 1 27 bmse011576 1 28 bmse011576 1 29 bmse011576 1 30 bmse011576 1 31 bmse011576 1 32 bmse011576 1 33 bmse011576 1 34 bmse011576 1 35 bmse011576 1 36 bmse011576 1 37 bmse011576 1 38 bmse011576 1 39 bmse011576 1 40 bmse011576 1 41 bmse011576 1 42 bmse011576 1 43 bmse011576 1 44 bmse011576 1 45 bmse011576 1 46 bmse011576 1 47 bmse011576 1 48 bmse011576 1 49 bmse011576 1 50 bmse011576 1 51 bmse011576 1 52 bmse011576 1 53 bmse011576 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 1.6048 bmse011576 1 2 1 1.5861 bmse011576 1 3 1 1.5459 bmse011576 1 4 1 1.5420 bmse011576 1 5 1 1.5387 bmse011576 1 6 1 1.5239 bmse011576 1 7 1 1.5191 bmse011576 1 8 1 1.4927 bmse011576 1 9 1 1.4812 bmse011576 1 10 1 1.4669 bmse011576 1 11 1 1.4546 bmse011576 1 12 1 4.6500 bmse011576 1 13 1 2.5965 bmse011576 1 14 1 2.6000 bmse011576 1 15 1 2.6031 bmse011576 1 16 1 2.6060 bmse011576 1 17 1 2.6093 bmse011576 1 18 1 1.1746 bmse011576 1 19 1 1.1537 bmse011576 1 20 1 1.1480 bmse011576 1 21 1 1.1376 bmse011576 1 22 1 1.1323 bmse011576 1 23 1 1.1273 bmse011576 1 24 1 1.1229 bmse011576 1 25 1 1.1171 bmse011576 1 26 1 1.1117 bmse011576 1 27 1 1.0928 bmse011576 1 28 1 1.0773 bmse011576 1 29 1 1.0723 bmse011576 1 30 1 1.0674 bmse011576 1 31 1 1.0576 bmse011576 1 32 1 1.0520 bmse011576 1 33 1 1.0468 bmse011576 1 34 1 2.9789 bmse011576 1 35 1 2.9659 bmse011576 1 36 1 2.9525 bmse011576 1 37 1 1.2879 bmse011576 1 38 1 1.2821 bmse011576 1 39 1 1.2758 bmse011576 1 40 1 1.2698 bmse011576 1 41 1 1.2582 bmse011576 1 42 1 1.2415 bmse011576 1 43 1 1.2392 bmse011576 1 44 1 1.2337 bmse011576 1 45 1 2.4857 bmse011576 1 46 1 0.8930 bmse011576 1 47 1 0.8890 bmse011576 1 48 1 0.8728 bmse011576 1 49 1 0.8684 bmse011576 1 50 1 0.8517 bmse011576 1 51 1 0.8329 bmse011576 1 52 1 0.8255 bmse011576 1 53 1 2.7499 bmse011576 1 stop_ save_