######################### # 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 bmse011489 _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 bmse011489 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 bmse011489 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011489 1 2 bmse011489 1 3 bmse011489 1 4 bmse011489 1 5 bmse011489 1 6 bmse011489 1 8 bmse011489 1 9 bmse011489 1 10 bmse011489 1 11 bmse011489 1 14 bmse011489 1 15 bmse011489 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 8.7598 t_1H bmse011489 1 2 1 3.0585 m_2H bmse011489 1 3 1 8.6930 t_1H bmse011489 1 4 1 3.6284 m_6H bmse011489 1 5 1 1.1940 m_3H bmse011489 1 6 1 2.8060 dd_1H bmse011489 1 7 1 2.7193 Imp2 bmse011489 1 8 1 8.6370 m_1H bmse011489 1 9 1 0.9998 d_3H_Q1 bmse011489 1 10 1 3.3120 ddd_1H bmse011489 1 11 1 2.6029 DMSO bmse011489 1 12 1 3.7978 m_1H bmse011489 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 1.5956 bmse011489 1 2 2 1 6.8024 bmse011489 1 3 3 1 2.2558 bmse011489 1 4 4 1 5.0745 bmse011489 1 5 5 1 6.2722 bmse011489 1 6 6 1 13.4248 bmse011489 1 7 6 1 10.5638 bmse011489 1 8 7 1 0.0000 bmse011489 1 9 8 1 1.2104 bmse011489 1 10 9 1 6.2722 bmse011489 1 11 10 1 13.6724 bmse011489 1 12 10 1 11.5816 bmse011489 1 13 10 1 3.3837 bmse011489 1 14 11 1 1.8156 bmse011489 1 15 12 1 3.5213 bmse011489 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011489 1 2 bmse011489 1 3 bmse011489 1 4 bmse011489 1 5 bmse011489 1 6 bmse011489 1 7 bmse011489 1 8 bmse011489 1 9 bmse011489 1 10 bmse011489 1 11 bmse011489 1 12 bmse011489 1 13 bmse011489 1 14 bmse011489 1 15 bmse011489 1 16 bmse011489 1 17 bmse011489 1 18 bmse011489 1 19 bmse011489 1 20 bmse011489 1 21 bmse011489 1 22 bmse011489 1 23 bmse011489 1 24 bmse011489 1 25 bmse011489 1 26 bmse011489 1 27 bmse011489 1 28 bmse011489 1 29 bmse011489 1 30 bmse011489 1 31 bmse011489 1 32 bmse011489 1 33 bmse011489 1 34 bmse011489 1 35 bmse011489 1 36 bmse011489 1 37 bmse011489 1 38 bmse011489 1 39 bmse011489 1 40 bmse011489 1 41 bmse011489 1 42 bmse011489 1 43 bmse011489 1 44 bmse011489 1 45 bmse011489 1 46 bmse011489 1 47 bmse011489 1 48 bmse011489 1 49 bmse011489 1 50 bmse011489 1 51 bmse011489 1 52 bmse011489 1 53 bmse011489 1 54 bmse011489 1 55 bmse011489 1 56 bmse011489 1 57 bmse011489 1 58 bmse011489 1 59 bmse011489 1 60 bmse011489 1 61 bmse011489 1 62 bmse011489 1 63 bmse011489 1 64 bmse011489 1 65 bmse011489 1 66 bmse011489 1 67 bmse011489 1 68 bmse011489 1 69 bmse011489 1 70 bmse011489 1 71 bmse011489 1 72 bmse011489 1 73 bmse011489 1 74 bmse011489 1 75 bmse011489 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 8.7571 bmse011489 1 2 1 8.7599 bmse011489 1 3 1 8.7624 bmse011489 1 4 1 3.1208 bmse011489 1 5 1 3.1144 bmse011489 1 6 1 3.1007 bmse011489 1 7 1 3.0979 bmse011489 1 8 1 3.0946 bmse011489 1 9 1 3.0919 bmse011489 1 10 1 3.0781 bmse011489 1 11 1 3.0719 bmse011489 1 12 1 3.0365 bmse011489 1 13 1 3.0189 bmse011489 1 14 1 3.0138 bmse011489 1 15 1 2.9962 bmse011489 1 16 1 8.6893 bmse011489 1 17 1 8.6929 bmse011489 1 18 1 8.6968 bmse011489 1 19 1 3.7384 bmse011489 1 20 1 3.7340 bmse011489 1 21 1 3.7275 bmse011489 1 22 1 3.7233 bmse011489 1 23 1 3.7209 bmse011489 1 24 1 3.7165 bmse011489 1 25 1 3.7103 bmse011489 1 26 1 3.7061 bmse011489 1 27 1 3.6817 bmse011489 1 28 1 3.6773 bmse011489 1 29 1 3.6615 bmse011489 1 30 1 3.6571 bmse011489 1 31 1 3.6491 bmse011489 1 32 1 3.6421 bmse011489 1 33 1 3.6377 bmse011489 1 34 1 3.6320 bmse011489 1 35 1 3.6276 bmse011489 1 36 1 3.5992 bmse011489 1 37 1 3.5948 bmse011489 1 38 1 3.5796 bmse011489 1 39 1 3.5752 bmse011489 1 40 1 3.5601 bmse011489 1 41 1 3.5556 bmse011489 1 42 1 3.5440 bmse011489 1 43 1 3.5409 bmse011489 1 44 1 3.5211 bmse011489 1 45 1 3.5185 bmse011489 1 46 1 1.1992 bmse011489 1 47 1 1.1887 bmse011489 1 48 1 2.8260 bmse011489 1 49 1 2.8084 bmse011489 1 50 1 2.8037 bmse011489 1 51 1 2.7861 bmse011489 1 52 1 2.7193 bmse011489 1 53 1 8.6390 bmse011489 1 54 1 8.6368 bmse011489 1 55 1 8.6350 bmse011489 1 56 1 0.9946 bmse011489 1 57 1 1.0050 bmse011489 1 58 1 3.3359 bmse011489 1 59 1 3.3302 bmse011489 1 60 1 3.3163 bmse011489 1 61 1 3.3108 bmse011489 1 62 1 3.3128 bmse011489 1 63 1 3.3073 bmse011489 1 64 1 3.2939 bmse011489 1 65 1 3.2881 bmse011489 1 66 1 2.5968 bmse011489 1 67 1 2.6000 bmse011489 1 68 1 2.6031 bmse011489 1 69 1 2.6060 bmse011489 1 70 1 2.6089 bmse011489 1 71 1 3.8095 bmse011489 1 72 1 3.8055 bmse011489 1 73 1 3.7915 bmse011489 1 74 1 3.7897 bmse011489 1 75 1 3.7860 bmse011489 1 stop_ save_