######################### # 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 bmse011245 _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 bmse011245 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 bmse011245 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011245 1 2 bmse011245 1 3 bmse011245 1 4 bmse011245 1 5 bmse011245 1 6 bmse011245 1 7 bmse011245 1 8 bmse011245 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 4.6500 SUP bmse011245 1 2 1 1.9251 m_1H bmse011245 1 3 1 1.4334 m_1H bmse011245 1 4 1 2.6034 DMSO bmse011245 1 5 1 1.6659 m_2H bmse011245 1 6 1 2.8006 m_1H bmse011245 1 7 1 2.4955 Imp1 bmse011245 1 8 1 2.0492 d_3H bmse011245 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 bmse011245 1 2 2 1 4.1265 bmse011245 1 3 3 1 3.4520 bmse011245 1 4 4 1 1.8707 bmse011245 1 5 5 1 3.1485 bmse011245 1 6 6 1 6.6711 bmse011245 1 7 7 1 0.0000 bmse011245 1 8 8 1 6.8224 bmse011245 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011245 1 2 bmse011245 1 3 bmse011245 1 4 bmse011245 1 5 bmse011245 1 6 bmse011245 1 7 bmse011245 1 8 bmse011245 1 9 bmse011245 1 10 bmse011245 1 11 bmse011245 1 12 bmse011245 1 13 bmse011245 1 14 bmse011245 1 15 bmse011245 1 16 bmse011245 1 17 bmse011245 1 18 bmse011245 1 19 bmse011245 1 20 bmse011245 1 21 bmse011245 1 22 bmse011245 1 23 bmse011245 1 24 bmse011245 1 25 bmse011245 1 26 bmse011245 1 27 bmse011245 1 28 bmse011245 1 29 bmse011245 1 30 bmse011245 1 31 bmse011245 1 32 bmse011245 1 33 bmse011245 1 34 bmse011245 1 35 bmse011245 1 36 bmse011245 1 37 bmse011245 1 38 bmse011245 1 39 bmse011245 1 40 bmse011245 1 41 bmse011245 1 42 bmse011245 1 43 bmse011245 1 44 bmse011245 1 45 bmse011245 1 46 bmse011245 1 47 bmse011245 1 48 bmse011245 1 49 bmse011245 1 50 bmse011245 1 51 bmse011245 1 52 bmse011245 1 53 bmse011245 1 54 bmse011245 1 55 bmse011245 1 56 bmse011245 1 57 bmse011245 1 58 bmse011245 1 59 bmse011245 1 60 bmse011245 1 61 bmse011245 1 62 bmse011245 1 63 bmse011245 1 64 bmse011245 1 65 bmse011245 1 66 bmse011245 1 67 bmse011245 1 68 bmse011245 1 69 bmse011245 1 70 bmse011245 1 71 bmse011245 1 72 bmse011245 1 73 bmse011245 1 74 bmse011245 1 75 bmse011245 1 76 bmse011245 1 77 bmse011245 1 78 bmse011245 1 79 bmse011245 1 80 bmse011245 1 81 bmse011245 1 82 bmse011245 1 83 bmse011245 1 84 bmse011245 1 85 bmse011245 1 86 bmse011245 1 87 bmse011245 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 4.6500 bmse011245 1 2 1 1.9526 bmse011245 1 3 1 1.9458 bmse011245 1 4 1 1.9309 bmse011245 1 5 1 1.9304 bmse011245 1 6 1 1.9245 bmse011245 1 7 1 1.9177 bmse011245 1 8 1 1.9104 bmse011245 1 9 1 1.9040 bmse011245 1 10 1 1.8976 bmse011245 1 11 1 1.5111 bmse011245 1 12 1 1.5041 bmse011245 1 13 1 1.4971 bmse011245 1 14 1 1.4911 bmse011245 1 15 1 1.4881 bmse011245 1 16 1 1.4841 bmse011245 1 17 1 1.4773 bmse011245 1 18 1 1.4711 bmse011245 1 19 1 1.4689 bmse011245 1 20 1 1.4619 bmse011245 1 21 1 1.4550 bmse011245 1 22 1 1.4493 bmse011245 1 23 1 1.4421 bmse011245 1 24 1 1.4350 bmse011245 1 25 1 1.4234 bmse011245 1 26 1 1.4163 bmse011245 1 27 1 1.4089 bmse011245 1 28 1 1.4040 bmse011245 1 29 1 1.3970 bmse011245 1 30 1 1.3937 bmse011245 1 31 1 1.3904 bmse011245 1 32 1 1.3862 bmse011245 1 33 1 1.3816 bmse011245 1 34 1 1.3780 bmse011245 1 35 1 1.3747 bmse011245 1 36 1 1.3677 bmse011245 1 37 1 1.3624 bmse011245 1 38 1 1.3558 bmse011245 1 39 1 2.5972 bmse011245 1 40 1 2.6001 bmse011245 1 41 1 2.6033 bmse011245 1 42 1 2.6062 bmse011245 1 43 1 2.6097 bmse011245 1 44 1 1.7472 bmse011245 1 45 1 1.7410 bmse011245 1 46 1 1.7355 bmse011245 1 47 1 1.7347 bmse011245 1 48 1 1.7305 bmse011245 1 49 1 1.7247 bmse011245 1 50 1 1.7184 bmse011245 1 51 1 1.7120 bmse011245 1 52 1 1.7054 bmse011245 1 53 1 1.6984 bmse011245 1 54 1 1.6920 bmse011245 1 55 1 1.6821 bmse011245 1 56 1 1.6818 bmse011245 1 57 1 1.6759 bmse011245 1 58 1 1.6695 bmse011245 1 59 1 1.6616 bmse011245 1 60 1 1.6515 bmse011245 1 61 1 1.6436 bmse011245 1 62 1 1.6365 bmse011245 1 63 1 1.6323 bmse011245 1 64 1 1.6249 bmse011245 1 65 1 1.6220 bmse011245 1 66 1 1.6183 bmse011245 1 67 1 1.6139 bmse011245 1 68 1 1.6104 bmse011245 1 69 1 1.6101 bmse011245 1 70 1 1.6066 bmse011245 1 71 1 1.6059 bmse011245 1 72 1 1.6033 bmse011245 1 73 1 1.5960 bmse011245 1 74 1 1.5912 bmse011245 1 75 1 1.5846 bmse011245 1 76 1 2.8451 bmse011245 1 77 1 2.8268 bmse011245 1 78 1 2.8233 bmse011245 1 79 1 2.8046 bmse011245 1 80 1 2.7983 bmse011245 1 81 1 2.7837 bmse011245 1 82 1 2.7796 bmse011245 1 83 1 2.7615 bmse011245 1 84 1 2.7562 bmse011245 1 85 1 2.4955 bmse011245 1 86 1 2.0435 bmse011245 1 87 1 2.0549 bmse011245 1 stop_ save_