######################### # 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 bmse011068 _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 bmse011068 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 bmse011068 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011068 1 2 bmse011068 1 3 bmse011068 1 4 bmse011068 1 5 bmse011068 1 6 bmse011068 1 7 bmse011068 1 8 bmse011068 1 10 bmse011068 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 2.6029 DMSO bmse011068 1 2 1 1.4979 m_1H bmse011068 1 3 1 1.7108 m_3H bmse011068 1 4 1 4.6500 SUP bmse011068 1 5 1 7.0317 m_2H bmse011068 1 6 1 1.1536 m_6H bmse011068 1 7 1 1.6156 m_3H bmse011068 1 8 1 7.2075 dd_2H bmse011068 1 9 1 3.4489 m_4H_Q1 bmse011068 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 1.9807 bmse011068 1 2 2 1 3.9174 bmse011068 1 3 3 1 4.3180 bmse011068 1 4 4 1 0.0000 bmse011068 1 5 5 1 8.7481 bmse011068 1 6 6 1 5.7496 bmse011068 1 7 7 1 4.1815 bmse011068 1 8 8 1 8.2530 bmse011068 1 9 8 1 5.6120 bmse011068 1 10 9 1 0.0000 bmse011068 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011068 1 2 bmse011068 1 3 bmse011068 1 4 bmse011068 1 5 bmse011068 1 6 bmse011068 1 7 bmse011068 1 8 bmse011068 1 9 bmse011068 1 10 bmse011068 1 11 bmse011068 1 12 bmse011068 1 13 bmse011068 1 14 bmse011068 1 15 bmse011068 1 16 bmse011068 1 17 bmse011068 1 18 bmse011068 1 19 bmse011068 1 20 bmse011068 1 21 bmse011068 1 22 bmse011068 1 23 bmse011068 1 24 bmse011068 1 25 bmse011068 1 26 bmse011068 1 27 bmse011068 1 28 bmse011068 1 29 bmse011068 1 30 bmse011068 1 31 bmse011068 1 32 bmse011068 1 33 bmse011068 1 34 bmse011068 1 35 bmse011068 1 36 bmse011068 1 37 bmse011068 1 38 bmse011068 1 39 bmse011068 1 40 bmse011068 1 41 bmse011068 1 42 bmse011068 1 43 bmse011068 1 44 bmse011068 1 45 bmse011068 1 46 bmse011068 1 47 bmse011068 1 48 bmse011068 1 49 bmse011068 1 50 bmse011068 1 51 bmse011068 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 2.5963 bmse011068 1 2 1 2.6001 bmse011068 1 3 1 2.6029 bmse011068 1 4 1 2.6062 bmse011068 1 5 1 2.6095 bmse011068 1 6 1 1.5142 bmse011068 1 7 1 1.5089 bmse011068 1 8 1 1.5034 bmse011068 1 9 1 1.4933 bmse011068 1 10 1 1.4865 bmse011068 1 11 1 1.4815 bmse011068 1 12 1 1.7215 bmse011068 1 13 1 1.7159 bmse011068 1 14 1 1.7085 bmse011068 1 15 1 1.7000 bmse011068 1 16 1 4.6500 bmse011068 1 17 1 7.0463 bmse011068 1 18 1 7.0316 bmse011068 1 19 1 7.0172 bmse011068 1 20 1 1.2494 bmse011068 1 21 1 1.2348 bmse011068 1 22 1 1.2293 bmse011068 1 23 1 1.2243 bmse011068 1 24 1 1.2084 bmse011068 1 25 1 1.1873 bmse011068 1 26 1 1.1820 bmse011068 1 27 1 1.1754 bmse011068 1 28 1 1.1677 bmse011068 1 29 1 1.1627 bmse011068 1 30 1 1.1480 bmse011068 1 31 1 1.1429 bmse011068 1 32 1 1.1292 bmse011068 1 33 1 1.1235 bmse011068 1 34 1 1.1097 bmse011068 1 35 1 1.1040 bmse011068 1 36 1 1.0921 bmse011068 1 37 1 1.0839 bmse011068 1 38 1 1.0804 bmse011068 1 39 1 1.0633 bmse011068 1 40 1 1.0578 bmse011068 1 41 1 1.6330 bmse011068 1 42 1 1.6269 bmse011068 1 43 1 1.6200 bmse011068 1 44 1 1.6103 bmse011068 1 45 1 1.6040 bmse011068 1 46 1 1.5982 bmse011068 1 47 1 7.2190 bmse011068 1 48 1 7.2095 bmse011068 1 49 1 7.2051 bmse011068 1 50 1 7.1959 bmse011068 1 51 1 3.4489 bmse011068 1 stop_ save_