######################### # 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 bmse011329 _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 bmse011329 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 bmse011329 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011329 1 2 bmse011329 1 3 bmse011329 1 4 bmse011329 1 5 bmse011329 1 6 bmse011329 1 7 bmse011329 1 8 bmse011329 1 9 bmse011329 1 10 bmse011329 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 1.6071 15,16,17_m bmse011329 1 2 1 4.6500 SUP bmse011329 1 3 1 8.6526 9,10_m bmse011329 1 4 1 1.7516 13,14_m_Q2 bmse011329 1 5 1 2.0438 13,14_m_Q3 bmse011329 1 6 1 3.0852 7_m bmse011329 1 7 1 7.9056 11,12_m bmse011329 1 8 1 2.6031 DMSO bmse011329 1 9 1 1.3664 15,16_m bmse011329 1 10 1 1.2079 17_m_Q1 bmse011329 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 99.5026 bmse011329 1 2 2 1 0.0000 bmse011329 1 3 3 1 2.0541 bmse011329 1 4 4 1 4.1081 bmse011329 1 5 5 1 4.1540 bmse011329 1 6 6 1 3.7826 bmse011329 1 7 7 1 2.0907 bmse011329 1 8 8 1 1.8156 bmse011329 1 9 9 1 3.4366 bmse011329 1 10 10 1 5.3851 bmse011329 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011329 1 2 bmse011329 1 3 bmse011329 1 4 bmse011329 1 5 bmse011329 1 6 bmse011329 1 7 bmse011329 1 8 bmse011329 1 9 bmse011329 1 10 bmse011329 1 11 bmse011329 1 12 bmse011329 1 13 bmse011329 1 14 bmse011329 1 15 bmse011329 1 16 bmse011329 1 17 bmse011329 1 18 bmse011329 1 19 bmse011329 1 20 bmse011329 1 21 bmse011329 1 22 bmse011329 1 23 bmse011329 1 24 bmse011329 1 25 bmse011329 1 26 bmse011329 1 27 bmse011329 1 28 bmse011329 1 29 bmse011329 1 30 bmse011329 1 31 bmse011329 1 32 bmse011329 1 33 bmse011329 1 34 bmse011329 1 35 bmse011329 1 36 bmse011329 1 37 bmse011329 1 38 bmse011329 1 39 bmse011329 1 40 bmse011329 1 41 bmse011329 1 42 bmse011329 1 43 bmse011329 1 44 bmse011329 1 45 bmse011329 1 46 bmse011329 1 47 bmse011329 1 48 bmse011329 1 49 bmse011329 1 50 bmse011329 1 51 bmse011329 1 52 bmse011329 1 53 bmse011329 1 54 bmse011329 1 55 bmse011329 1 56 bmse011329 1 57 bmse011329 1 58 bmse011329 1 59 bmse011329 1 60 bmse011329 1 61 bmse011329 1 62 bmse011329 1 63 bmse011329 1 64 bmse011329 1 65 bmse011329 1 66 bmse011329 1 67 bmse011329 1 68 bmse011329 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 1.6900 bmse011329 1 2 1 1.5242 bmse011329 1 3 1 4.6500 bmse011329 1 4 1 8.6577 bmse011329 1 5 1 8.6552 bmse011329 1 6 1 8.6500 bmse011329 1 7 1 8.6475 bmse011329 1 8 1 1.7721 bmse011329 1 9 1 1.7663 bmse011329 1 10 1 1.7600 bmse011329 1 11 1 1.7536 bmse011329 1 12 1 1.7437 bmse011329 1 13 1 1.7373 bmse011329 1 14 1 1.7311 bmse011329 1 15 1 2.0576 bmse011329 1 16 1 2.0521 bmse011329 1 17 1 2.0448 bmse011329 1 18 1 2.0354 bmse011329 1 19 1 2.0299 bmse011329 1 20 1 3.1104 bmse011329 1 21 1 3.1042 bmse011329 1 22 1 3.0981 bmse011329 1 23 1 3.0911 bmse011329 1 24 1 3.0851 bmse011329 1 25 1 3.0790 bmse011329 1 26 1 3.0723 bmse011329 1 27 1 3.0660 bmse011329 1 28 1 3.0600 bmse011329 1 29 1 7.9108 bmse011329 1 30 1 7.9080 bmse011329 1 31 1 7.9031 bmse011329 1 32 1 7.9003 bmse011329 1 33 1 2.5970 bmse011329 1 34 1 2.6000 bmse011329 1 35 1 2.6031 bmse011329 1 36 1 2.6062 bmse011329 1 37 1 2.6091 bmse011329 1 38 1 1.4036 bmse011329 1 39 1 1.3978 bmse011329 1 40 1 1.3917 bmse011329 1 41 1 1.3835 bmse011329 1 42 1 1.3829 bmse011329 1 43 1 1.3772 bmse011329 1 44 1 1.3717 bmse011329 1 45 1 1.3607 bmse011329 1 46 1 1.3554 bmse011329 1 47 1 1.3510 bmse011329 1 48 1 1.3492 bmse011329 1 49 1 1.3407 bmse011329 1 50 1 1.3349 bmse011329 1 51 1 1.3292 bmse011329 1 52 1 1.2797 bmse011329 1 53 1 1.2736 bmse011329 1 54 1 1.2676 bmse011329 1 55 1 1.2582 bmse011329 1 56 1 1.2579 bmse011329 1 57 1 1.2527 bmse011329 1 58 1 1.2461 bmse011329 1 59 1 1.2458 bmse011329 1 60 1 1.2382 bmse011329 1 61 1 1.2318 bmse011329 1 62 1 1.2260 bmse011329 1 63 1 1.2177 bmse011329 1 64 1 1.2113 bmse011329 1 65 1 1.2052 bmse011329 1 66 1 1.1801 bmse011329 1 67 1 1.1491 bmse011329 1 68 1 1.1361 bmse011329 1 stop_ save_