######################### # 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 bmse011312 _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 bmse011312 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 bmse011312 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011312 1 2 bmse011312 1 3 bmse011312 1 4 bmse011312 1 6 bmse011312 1 7 bmse011312 1 8 bmse011312 1 10 bmse011312 1 11 bmse011312 1 12 bmse011312 1 13 bmse011312 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 8.5191 d_1H bmse011312 1 2 1 4.6500 SUP bmse011312 1 3 1 2.6030 DMSO bmse011312 1 4 1 7.8703 dd_1H_Q1 bmse011312 1 5 1 2.2546 d_2H bmse011312 1 6 1 1.5538 m_1H bmse011312 1 7 1 8.2653 dd_1H bmse011312 1 8 1 1.6330 m_6H bmse011312 1 9 1 1.1369 m_3H bmse011312 1 10 1 0.9673 m_2H bmse011312 1 11 1 7.4032 dd_1H bmse011312 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 2.2008 bmse011312 1 2 2 1 0.0000 bmse011312 1 3 3 1 1.8432 bmse011312 1 4 4 1 6.8224 bmse011312 1 5 4 1 2.2008 bmse011312 1 6 5 1 7.3726 bmse011312 1 7 6 1 3.8294 bmse011312 1 8 7 1 4.8968 bmse011312 1 9 7 1 1.1554 bmse011312 1 10 8 1 8.3630 bmse011312 1 11 9 1 4.1857 bmse011312 1 12 10 1 5.8792 bmse011312 1 13 11 1 8.3630 bmse011312 1 14 11 1 4.9518 bmse011312 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011312 1 2 bmse011312 1 3 bmse011312 1 4 bmse011312 1 5 bmse011312 1 6 bmse011312 1 7 bmse011312 1 8 bmse011312 1 9 bmse011312 1 10 bmse011312 1 11 bmse011312 1 12 bmse011312 1 13 bmse011312 1 14 bmse011312 1 15 bmse011312 1 16 bmse011312 1 17 bmse011312 1 18 bmse011312 1 19 bmse011312 1 20 bmse011312 1 21 bmse011312 1 22 bmse011312 1 23 bmse011312 1 24 bmse011312 1 25 bmse011312 1 26 bmse011312 1 27 bmse011312 1 28 bmse011312 1 29 bmse011312 1 30 bmse011312 1 31 bmse011312 1 32 bmse011312 1 33 bmse011312 1 34 bmse011312 1 35 bmse011312 1 36 bmse011312 1 37 bmse011312 1 38 bmse011312 1 39 bmse011312 1 40 bmse011312 1 41 bmse011312 1 42 bmse011312 1 43 bmse011312 1 44 bmse011312 1 45 bmse011312 1 46 bmse011312 1 47 bmse011312 1 48 bmse011312 1 49 bmse011312 1 50 bmse011312 1 51 bmse011312 1 52 bmse011312 1 53 bmse011312 1 54 bmse011312 1 55 bmse011312 1 56 bmse011312 1 57 bmse011312 1 58 bmse011312 1 59 bmse011312 1 60 bmse011312 1 61 bmse011312 1 62 bmse011312 1 63 bmse011312 1 64 bmse011312 1 65 bmse011312 1 66 bmse011312 1 67 bmse011312 1 68 bmse011312 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 8.5173 bmse011312 1 2 1 8.5210 bmse011312 1 3 1 4.6500 bmse011312 1 4 1 2.5968 bmse011312 1 5 1 2.6000 bmse011312 1 6 1 2.6031 bmse011312 1 7 1 2.6062 bmse011312 1 8 1 2.6091 bmse011312 1 9 1 7.8778 bmse011312 1 10 1 7.8741 bmse011312 1 11 1 7.8664 bmse011312 1 12 1 7.8628 bmse011312 1 13 1 2.2485 bmse011312 1 14 1 2.2608 bmse011312 1 15 1 1.5697 bmse011312 1 16 1 1.5666 bmse011312 1 17 1 1.5648 bmse011312 1 18 1 1.5488 bmse011312 1 19 1 1.5433 bmse011312 1 20 1 1.5378 bmse011312 1 21 1 8.2703 bmse011312 1 22 1 8.2685 bmse011312 1 23 1 8.2623 bmse011312 1 24 1 8.2602 bmse011312 1 25 1 1.6609 bmse011312 1 26 1 1.6348 bmse011312 1 27 1 1.6163 bmse011312 1 28 1 1.6106 bmse011312 1 29 1 1.6051 bmse011312 1 30 1 1.2276 bmse011312 1 31 1 1.2206 bmse011312 1 32 1 1.2142 bmse011312 1 33 1 1.2040 bmse011312 1 34 1 1.1990 bmse011312 1 35 1 1.1941 bmse011312 1 36 1 1.1933 bmse011312 1 37 1 1.1834 bmse011312 1 38 1 1.1781 bmse011312 1 39 1 1.1730 bmse011312 1 40 1 1.1622 bmse011312 1 41 1 1.1567 bmse011312 1 42 1 1.1512 bmse011312 1 43 1 1.1200 bmse011312 1 44 1 1.1145 bmse011312 1 45 1 1.1088 bmse011312 1 46 1 1.0989 bmse011312 1 47 1 1.0936 bmse011312 1 48 1 1.0879 bmse011312 1 49 1 1.0875 bmse011312 1 50 1 1.0776 bmse011312 1 51 1 1.0727 bmse011312 1 52 1 1.0677 bmse011312 1 53 1 1.0668 bmse011312 1 54 1 1.0521 bmse011312 1 55 1 1.0505 bmse011312 1 56 1 1.0463 bmse011312 1 57 1 1.0015 bmse011312 1 58 1 0.9960 bmse011312 1 59 1 0.9799 bmse011312 1 60 1 0.9759 bmse011312 1 61 1 0.9605 bmse011312 1 62 1 0.9564 bmse011312 1 63 1 0.9409 bmse011312 1 64 1 0.9330 bmse011312 1 65 1 7.4143 bmse011312 1 66 1 7.4060 bmse011312 1 67 1 7.4004 bmse011312 1 68 1 7.3921 bmse011312 1 stop_ save_