######################### # 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 bmse011381 _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 bmse011381 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 bmse011381 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011381 1 2 bmse011381 1 3 bmse011381 1 4 bmse011381 1 5 bmse011381 1 6 bmse011381 1 9 bmse011381 1 10 bmse011381 1 11 bmse011381 1 12 bmse011381 1 14 bmse011381 1 15 bmse011381 1 16 bmse011381 1 17 bmse011381 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 3.7770 8_s bmse011381 1 2 1 1.1308 18_m bmse011381 1 3 1 3.2605 9_m bmse011381 1 4 1 4.6500 SUP bmse011381 1 5 1 2.1188 12,13_d bmse011381 1 6 1 1.3860 16,17_ddd bmse011381 1 7 1 1.6125 18_m bmse011381 1 8 1 7.6712 10_d_Q3 bmse011381 1 9 1 7.5402 11_d bmse011381 1 10 1 7.3706 15_dd_Q2 bmse011381 1 11 1 2.6029 DMSO bmse011381 1 12 1 1.8006 12,13_d bmse011381 1 13 1 7.3162 14_m_Q1 bmse011381 1 14 1 1.2712 16,17_m bmse011381 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 bmse011381 1 2 2 1 3.8514 bmse011381 1 3 3 1 3.8651 bmse011381 1 4 4 1 0.0000 bmse011381 1 5 5 1 12.6545 bmse011381 1 6 6 1 24.5113 bmse011381 1 7 6 1 12.4620 bmse011381 1 8 6 1 3.6038 bmse011381 1 9 7 1 4.8692 bmse011381 1 10 8 1 8.0329 bmse011381 1 11 9 1 8.1429 bmse011381 1 12 10 1 7.2076 bmse011381 1 13 10 1 7.2076 bmse011381 1 14 11 1 1.8156 bmse011381 1 15 12 1 14.3051 bmse011381 1 16 13 1 5.0618 bmse011381 1 17 14 1 3.2697 bmse011381 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011381 1 2 bmse011381 1 3 bmse011381 1 4 bmse011381 1 5 bmse011381 1 6 bmse011381 1 7 bmse011381 1 8 bmse011381 1 9 bmse011381 1 10 bmse011381 1 11 bmse011381 1 12 bmse011381 1 13 bmse011381 1 14 bmse011381 1 15 bmse011381 1 16 bmse011381 1 17 bmse011381 1 18 bmse011381 1 19 bmse011381 1 20 bmse011381 1 21 bmse011381 1 22 bmse011381 1 23 bmse011381 1 24 bmse011381 1 25 bmse011381 1 26 bmse011381 1 27 bmse011381 1 28 bmse011381 1 29 bmse011381 1 30 bmse011381 1 31 bmse011381 1 32 bmse011381 1 33 bmse011381 1 34 bmse011381 1 35 bmse011381 1 36 bmse011381 1 37 bmse011381 1 38 bmse011381 1 39 bmse011381 1 40 bmse011381 1 41 bmse011381 1 42 bmse011381 1 43 bmse011381 1 44 bmse011381 1 45 bmse011381 1 46 bmse011381 1 47 bmse011381 1 48 bmse011381 1 49 bmse011381 1 50 bmse011381 1 51 bmse011381 1 52 bmse011381 1 53 bmse011381 1 54 bmse011381 1 55 bmse011381 1 56 bmse011381 1 57 bmse011381 1 58 bmse011381 1 59 bmse011381 1 60 bmse011381 1 61 bmse011381 1 62 bmse011381 1 63 bmse011381 1 64 bmse011381 1 65 bmse011381 1 66 bmse011381 1 67 bmse011381 1 68 bmse011381 1 69 bmse011381 1 70 bmse011381 1 71 bmse011381 1 72 bmse011381 1 73 bmse011381 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 3.7770 bmse011381 1 2 1 1.1693 bmse011381 1 3 1 1.1629 bmse011381 1 4 1 1.1567 bmse011381 1 5 1 1.1469 bmse011381 1 6 1 1.1411 bmse011381 1 7 1 1.1350 bmse011381 1 8 1 1.1260 bmse011381 1 9 1 1.1196 bmse011381 1 10 1 1.1136 bmse011381 1 11 1 1.1132 bmse011381 1 12 1 1.1044 bmse011381 1 13 1 1.0985 bmse011381 1 14 1 1.0923 bmse011381 1 15 1 3.2862 bmse011381 1 16 1 3.2800 bmse011381 1 17 1 3.2736 bmse011381 1 18 1 3.2670 bmse011381 1 19 1 3.2606 bmse011381 1 20 1 3.2543 bmse011381 1 21 1 3.2475 bmse011381 1 22 1 3.2409 bmse011381 1 23 1 3.2347 bmse011381 1 24 1 4.6500 bmse011381 1 25 1 2.1082 bmse011381 1 26 1 2.1293 bmse011381 1 27 1 1.4198 bmse011381 1 28 1 1.4135 bmse011381 1 29 1 1.3989 bmse011381 1 30 1 1.3926 bmse011381 1 31 1 1.3787 bmse011381 1 32 1 1.3726 bmse011381 1 33 1 1.3578 bmse011381 1 34 1 1.3523 bmse011381 1 35 1 1.6288 bmse011381 1 36 1 1.6236 bmse011381 1 37 1 1.6064 bmse011381 1 38 1 1.6013 bmse011381 1 39 1 1.5963 bmse011381 1 40 1 7.6646 bmse011381 1 41 1 7.6779 bmse011381 1 42 1 7.5335 bmse011381 1 43 1 7.5470 bmse011381 1 44 1 7.3826 bmse011381 1 45 1 7.3706 bmse011381 1 46 1 7.3706 bmse011381 1 47 1 7.3585 bmse011381 1 48 1 2.5968 bmse011381 1 49 1 2.5998 bmse011381 1 50 1 2.6029 bmse011381 1 51 1 2.6060 bmse011381 1 52 1 2.6089 bmse011381 1 53 1 1.7887 bmse011381 1 54 1 1.8125 bmse011381 1 55 1 7.3288 bmse011381 1 56 1 7.3276 bmse011381 1 57 1 7.3155 bmse011381 1 58 1 7.3035 bmse011381 1 59 1 1.3094 bmse011381 1 60 1 1.3039 bmse011381 1 61 1 1.2978 bmse011381 1 62 1 1.2877 bmse011381 1 63 1 1.2874 bmse011381 1 64 1 1.2819 bmse011381 1 65 1 1.2769 bmse011381 1 66 1 1.2656 bmse011381 1 67 1 1.2601 bmse011381 1 68 1 1.2553 bmse011381 1 69 1 1.2538 bmse011381 1 70 1 1.2447 bmse011381 1 71 1 1.2439 bmse011381 1 72 1 1.2384 bmse011381 1 73 1 1.2331 bmse011381 1 stop_ save_