######################### # 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 bmse011558 _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 bmse011558 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 bmse011558 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011558 1 2 bmse011558 1 3 bmse011558 1 4 bmse011558 1 5 bmse011558 1 6 bmse011558 1 7 bmse011558 1 8 bmse011558 1 9 bmse011558 1 10 bmse011558 1 11 bmse011558 1 12 bmse011558 1 13 bmse011558 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 1.7909 s_1H bmse011558 1 2 1 7.2165 m_1H bmse011558 1 3 1 2.4850 Imp1 bmse011558 1 4 1 2.9336 m_1H bmse011558 1 5 1 7.2650 d_1H bmse011558 1 6 1 2.7338 Imp2 bmse011558 1 7 1 3.2627 m_2H bmse011558 1 8 1 2.6031 DMSO bmse011558 1 9 1 3.7046 s_4H bmse011558 1 10 1 4.6500 SUP bmse011558 1 11 1 3.3609 m_1H bmse011558 1 12 1 0.9741 m_4H_Q1 bmse011558 1 13 1 3.1309 m_1H bmse011558 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 bmse011558 1 2 2 1 15.5706 bmse011558 1 3 3 1 0.0000 bmse011558 1 4 4 1 6.6299 bmse011558 1 5 5 1 7.0425 bmse011558 1 6 6 1 0.0000 bmse011558 1 7 7 1 4.0852 bmse011558 1 8 8 1 1.8156 bmse011558 1 9 9 1 0.0000 bmse011558 1 10 10 1 0.0000 bmse011558 1 11 11 1 5.9861 bmse011558 1 12 12 1 8.6197 bmse011558 1 13 13 1 5.4580 bmse011558 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011558 1 2 bmse011558 1 3 bmse011558 1 4 bmse011558 1 5 bmse011558 1 6 bmse011558 1 7 bmse011558 1 8 bmse011558 1 9 bmse011558 1 10 bmse011558 1 11 bmse011558 1 12 bmse011558 1 13 bmse011558 1 14 bmse011558 1 15 bmse011558 1 16 bmse011558 1 17 bmse011558 1 18 bmse011558 1 19 bmse011558 1 20 bmse011558 1 21 bmse011558 1 22 bmse011558 1 23 bmse011558 1 24 bmse011558 1 25 bmse011558 1 26 bmse011558 1 27 bmse011558 1 28 bmse011558 1 29 bmse011558 1 30 bmse011558 1 31 bmse011558 1 32 bmse011558 1 33 bmse011558 1 34 bmse011558 1 35 bmse011558 1 36 bmse011558 1 37 bmse011558 1 38 bmse011558 1 39 bmse011558 1 40 bmse011558 1 41 bmse011558 1 42 bmse011558 1 43 bmse011558 1 44 bmse011558 1 45 bmse011558 1 46 bmse011558 1 47 bmse011558 1 48 bmse011558 1 49 bmse011558 1 50 bmse011558 1 51 bmse011558 1 52 bmse011558 1 53 bmse011558 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 1.7909 bmse011558 1 2 1 7.2425 bmse011558 1 3 1 7.2080 bmse011558 1 4 1 7.1906 bmse011558 1 5 1 2.4850 bmse011558 1 6 1 2.9998 bmse011558 1 7 1 2.9778 bmse011558 1 8 1 2.9557 bmse011558 1 9 1 2.9370 bmse011558 1 10 1 2.9346 bmse011558 1 11 1 2.9331 bmse011558 1 12 1 2.9278 bmse011558 1 13 1 2.9225 bmse011558 1 14 1 2.9157 bmse011558 1 15 1 2.9120 bmse011558 1 16 1 2.8946 bmse011558 1 17 1 2.8709 bmse011558 1 18 1 2.8673 bmse011558 1 19 1 7.2592 bmse011558 1 20 1 7.2709 bmse011558 1 21 1 2.7338 bmse011558 1 22 1 3.2899 bmse011558 1 23 1 3.2831 bmse011558 1 24 1 3.2769 bmse011558 1 25 1 3.2701 bmse011558 1 26 1 3.2617 bmse011558 1 27 1 3.2558 bmse011558 1 28 1 3.2503 bmse011558 1 29 1 3.2408 bmse011558 1 30 1 3.2354 bmse011558 1 31 1 2.5970 bmse011558 1 32 1 2.6000 bmse011558 1 33 1 2.6029 bmse011558 1 34 1 2.6060 bmse011558 1 35 1 2.6091 bmse011558 1 36 1 3.7046 bmse011558 1 37 1 4.6500 bmse011558 1 38 1 3.3858 bmse011558 1 39 1 3.3693 bmse011558 1 40 1 3.3642 bmse011558 1 41 1 3.3563 bmse011558 1 42 1 3.3438 bmse011558 1 43 1 3.3359 bmse011558 1 44 1 0.9957 bmse011558 1 45 1 0.9845 bmse011558 1 46 1 0.9647 bmse011558 1 47 1 0.9526 bmse011558 1 48 1 3.1537 bmse011558 1 49 1 3.1401 bmse011558 1 50 1 3.1359 bmse011558 1 51 1 3.1251 bmse011558 1 52 1 3.1221 bmse011558 1 53 1 3.1082 bmse011558 1 stop_ save_