######################### # 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 bmse011613 _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 bmse011613 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 bmse011613 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011613 1 2 bmse011613 1 3 bmse011613 1 4 bmse011613 1 5 bmse011613 1 6 bmse011613 1 7 bmse011613 1 8 bmse011613 1 9 bmse011613 1 10 bmse011613 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 1.2532 d_3H bmse011613 1 2 1 3.0287 m_1H bmse011613 1 3 1 8.6842 m_3H_Q1 bmse011613 1 4 1 1.4268 m_3H bmse011613 1 5 1 3.7653 quint_1H bmse011613 1 6 1 1.6588 m_9H bmse011613 1 7 1 2.6026 DMSO bmse011613 1 8 1 3.2478 m_2H bmse011613 1 9 1 1.1716 d_3H bmse011613 1 10 1 8.6251 dd_2H bmse011613 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 6.9325 bmse011613 1 2 2 1 6.0081 bmse011613 1 3 3 1 3.6863 bmse011613 1 4 4 1 4.3122 bmse011613 1 5 5 1 6.2722 bmse011613 1 6 6 1 8.8325 bmse011613 1 7 7 1 1.9532 bmse011613 1 8 8 1 4.9793 bmse011613 1 9 9 1 6.9325 bmse011613 1 10 10 1 9.5734 bmse011613 1 11 10 1 1.4305 bmse011613 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011613 1 2 bmse011613 1 3 bmse011613 1 4 bmse011613 1 5 bmse011613 1 6 bmse011613 1 7 bmse011613 1 8 bmse011613 1 9 bmse011613 1 10 bmse011613 1 11 bmse011613 1 12 bmse011613 1 13 bmse011613 1 14 bmse011613 1 15 bmse011613 1 16 bmse011613 1 17 bmse011613 1 18 bmse011613 1 19 bmse011613 1 20 bmse011613 1 21 bmse011613 1 22 bmse011613 1 23 bmse011613 1 24 bmse011613 1 25 bmse011613 1 26 bmse011613 1 27 bmse011613 1 28 bmse011613 1 29 bmse011613 1 30 bmse011613 1 31 bmse011613 1 32 bmse011613 1 33 bmse011613 1 34 bmse011613 1 35 bmse011613 1 36 bmse011613 1 37 bmse011613 1 38 bmse011613 1 39 bmse011613 1 40 bmse011613 1 41 bmse011613 1 42 bmse011613 1 43 bmse011613 1 44 bmse011613 1 45 bmse011613 1 46 bmse011613 1 47 bmse011613 1 48 bmse011613 1 49 bmse011613 1 50 bmse011613 1 51 bmse011613 1 52 bmse011613 1 53 bmse011613 1 54 bmse011613 1 55 bmse011613 1 56 bmse011613 1 57 bmse011613 1 58 bmse011613 1 59 bmse011613 1 60 bmse011613 1 61 bmse011613 1 62 bmse011613 1 63 bmse011613 1 64 bmse011613 1 65 bmse011613 1 66 bmse011613 1 67 bmse011613 1 68 bmse011613 1 69 bmse011613 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 1.2474 bmse011613 1 2 1 1.2590 bmse011613 1 3 1 3.0537 bmse011613 1 4 1 3.0488 bmse011613 1 5 1 3.0314 bmse011613 1 6 1 3.0262 bmse011613 1 7 1 3.0088 bmse011613 1 8 1 3.0037 bmse011613 1 9 1 8.7027 bmse011613 1 10 1 8.7010 bmse011613 1 11 1 8.6865 bmse011613 1 12 1 8.6847 bmse011613 1 13 1 8.6774 bmse011613 1 14 1 8.6702 bmse011613 1 15 1 8.6658 bmse011613 1 16 1 1.4843 bmse011613 1 17 1 1.4768 bmse011613 1 18 1 1.4700 bmse011613 1 19 1 1.4616 bmse011613 1 20 1 1.4540 bmse011613 1 21 1 1.4473 bmse011613 1 22 1 1.4403 bmse011613 1 23 1 1.4388 bmse011613 1 24 1 1.4328 bmse011613 1 25 1 1.4251 bmse011613 1 26 1 1.4115 bmse011613 1 27 1 1.4031 bmse011613 1 28 1 1.3987 bmse011613 1 29 1 1.3910 bmse011613 1 30 1 1.3824 bmse011613 1 31 1 1.3780 bmse011613 1 32 1 1.3693 bmse011613 1 33 1 3.7444 bmse011613 1 34 1 3.7549 bmse011613 1 35 1 3.7655 bmse011613 1 36 1 3.7758 bmse011613 1 37 1 3.7862 bmse011613 1 38 1 1.7692 bmse011613 1 39 1 1.7454 bmse011613 1 40 1 1.7054 bmse011613 1 41 1 1.6856 bmse011613 1 42 1 1.6794 bmse011613 1 43 1 1.6719 bmse011613 1 44 1 1.6634 bmse011613 1 45 1 1.6579 bmse011613 1 46 1 1.6324 bmse011613 1 47 1 1.6269 bmse011613 1 48 1 1.6128 bmse011613 1 49 1 1.6044 bmse011613 1 50 1 1.5917 bmse011613 1 51 1 1.5836 bmse011613 1 52 1 1.5641 bmse011613 1 53 1 1.5485 bmse011613 1 54 1 2.5961 bmse011613 1 55 1 2.5998 bmse011613 1 56 1 2.6027 bmse011613 1 57 1 2.6056 bmse011613 1 58 1 2.6091 bmse011613 1 59 1 3.2644 bmse011613 1 60 1 3.2567 bmse011613 1 61 1 3.2525 bmse011613 1 62 1 3.2356 bmse011613 1 63 1 3.2312 bmse011613 1 64 1 1.1658 bmse011613 1 65 1 1.1774 bmse011613 1 66 1 8.6343 bmse011613 1 67 1 8.6319 bmse011613 1 68 1 8.6183 bmse011613 1 69 1 8.6159 bmse011613 1 stop_ save_