######################### # 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 bmse011590 _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 bmse011590 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 bmse011590 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011590 1 2 bmse011590 1 3 bmse011590 1 4 bmse011590 1 7 bmse011590 1 8 bmse011590 1 10 bmse011590 1 11 bmse011590 1 12 bmse011590 1 13 bmse011590 1 14 bmse011590 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 3.2012 6_d_Q3 bmse011590 1 2 1 6.5712 15_m bmse011590 1 3 1 4.6500 SUP bmse011590 1 4 1 1.2376 13,14_ddd_Q1 bmse011590 1 5 1 3.3652 10,11_m bmse011590 1 6 1 7.2658 12_dd bmse011590 1 7 1 1.6628 13,14_d_Q2 bmse011590 1 8 1 7.6639 9_d bmse011590 1 9 1 1.8673 8_m bmse011590 1 10 1 2.6025 DMSO bmse011590 1 11 1 3.9012 10,11_dd bmse011590 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 7.1526 bmse011590 1 2 2 1 4.2090 bmse011590 1 3 3 1 0.0000 bmse011590 1 4 4 1 25.3366 bmse011590 1 5 4 1 12.4620 bmse011590 1 6 4 1 4.4841 bmse011590 1 7 5 1 8.3997 bmse011590 1 8 6 1 11.5541 bmse011590 1 9 6 1 7.8128 bmse011590 1 10 7 1 14.4152 bmse011590 1 11 8 1 5.3919 bmse011590 1 12 9 1 3.7213 bmse011590 1 13 10 1 0.0000 bmse011590 1 14 11 1 11.4991 bmse011590 1 15 11 1 4.1265 bmse011590 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011590 1 2 bmse011590 1 3 bmse011590 1 4 bmse011590 1 5 bmse011590 1 6 bmse011590 1 7 bmse011590 1 8 bmse011590 1 9 bmse011590 1 10 bmse011590 1 11 bmse011590 1 12 bmse011590 1 13 bmse011590 1 14 bmse011590 1 15 bmse011590 1 16 bmse011590 1 17 bmse011590 1 18 bmse011590 1 19 bmse011590 1 20 bmse011590 1 21 bmse011590 1 22 bmse011590 1 23 bmse011590 1 24 bmse011590 1 25 bmse011590 1 26 bmse011590 1 27 bmse011590 1 28 bmse011590 1 29 bmse011590 1 30 bmse011590 1 31 bmse011590 1 32 bmse011590 1 33 bmse011590 1 34 bmse011590 1 35 bmse011590 1 36 bmse011590 1 37 bmse011590 1 38 bmse011590 1 39 bmse011590 1 40 bmse011590 1 41 bmse011590 1 42 bmse011590 1 43 bmse011590 1 44 bmse011590 1 45 bmse011590 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 3.1953 bmse011590 1 2 1 3.2072 bmse011590 1 3 1 6.5852 bmse011590 1 4 1 6.5782 bmse011590 1 5 1 6.5714 bmse011590 1 6 1 6.5650 bmse011590 1 7 1 6.5571 bmse011590 1 8 1 4.6500 bmse011590 1 9 1 1.2729 bmse011590 1 10 1 1.2652 bmse011590 1 11 1 1.2520 bmse011590 1 12 1 1.2447 bmse011590 1 13 1 1.2305 bmse011590 1 14 1 1.2232 bmse011590 1 15 1 1.2098 bmse011590 1 16 1 1.2023 bmse011590 1 17 1 3.3862 bmse011590 1 18 1 3.3653 bmse011590 1 19 1 3.3462 bmse011590 1 20 1 3.3442 bmse011590 1 21 1 7.2819 bmse011590 1 22 1 7.2689 bmse011590 1 23 1 7.2627 bmse011590 1 24 1 7.2496 bmse011590 1 25 1 1.6508 bmse011590 1 26 1 1.6748 bmse011590 1 27 1 7.6594 bmse011590 1 28 1 7.6684 bmse011590 1 29 1 1.9014 bmse011590 1 30 1 1.8954 bmse011590 1 31 1 1.8893 bmse011590 1 32 1 1.8829 bmse011590 1 33 1 1.8765 bmse011590 1 34 1 1.8702 bmse011590 1 35 1 1.8642 bmse011590 1 36 1 1.8578 bmse011590 1 37 1 1.8519 bmse011590 1 38 1 1.8451 bmse011590 1 39 1 1.8387 bmse011590 1 40 1 1.8332 bmse011590 1 41 1 2.6025 bmse011590 1 42 1 3.9142 bmse011590 1 43 1 3.9074 bmse011590 1 44 1 3.8951 bmse011590 1 45 1 3.8882 bmse011590 1 stop_ save_