######################### # 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 bmse011721 _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 bmse011721 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 bmse011721 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011721 1 2 bmse011721 1 3 bmse011721 1 4 bmse011721 1 6 bmse011721 1 8 bmse011721 1 9 bmse011721 1 10 bmse011721 1 11 bmse011721 1 12 bmse011721 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 2.4972 13_m_Q3 bmse011721 1 2 1 4.6500 SUP bmse011721 1 3 1 0.8914 8,9_m bmse011721 1 4 1 3.5657 11_dd bmse011721 1 5 1 3.7254 7_dd bmse011721 1 6 1 2.0342 12_m_Q1 bmse011721 1 7 1 2.2651 13_m_Q2 bmse011721 1 8 1 2.6030 DMSO bmse011721 1 9 1 1.0436 8,12_m bmse011721 1 10 1 3.4255 6,11_m bmse011721 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 7.1085 bmse011721 1 2 2 1 0.0000 bmse011721 1 3 3 1 70.5395 bmse011721 1 4 4 1 12.2144 bmse011721 1 5 4 1 7.0425 bmse011721 1 6 5 1 12.1593 bmse011721 1 7 5 1 8.4180 bmse011721 1 8 6 1 4.4016 bmse011721 1 9 7 1 7.2406 bmse011721 1 10 8 1 1.8432 bmse011721 1 11 9 1 79.5008 bmse011721 1 12 10 1 71.4317 bmse011721 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011721 1 2 bmse011721 1 3 bmse011721 1 4 bmse011721 1 5 bmse011721 1 6 bmse011721 1 7 bmse011721 1 8 bmse011721 1 9 bmse011721 1 10 bmse011721 1 11 bmse011721 1 12 bmse011721 1 13 bmse011721 1 14 bmse011721 1 15 bmse011721 1 16 bmse011721 1 17 bmse011721 1 18 bmse011721 1 19 bmse011721 1 20 bmse011721 1 21 bmse011721 1 22 bmse011721 1 23 bmse011721 1 24 bmse011721 1 25 bmse011721 1 26 bmse011721 1 27 bmse011721 1 28 bmse011721 1 29 bmse011721 1 30 bmse011721 1 31 bmse011721 1 32 bmse011721 1 33 bmse011721 1 34 bmse011721 1 35 bmse011721 1 36 bmse011721 1 37 bmse011721 1 38 bmse011721 1 39 bmse011721 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 2.5268 bmse011721 1 2 1 2.5138 bmse011721 1 3 1 2.5037 bmse011721 1 4 1 2.4912 bmse011721 1 5 1 2.4808 bmse011721 1 6 1 2.4676 bmse011721 1 7 1 4.6500 bmse011721 1 8 1 0.9501 bmse011721 1 9 1 0.8326 bmse011721 1 10 1 3.5818 bmse011721 1 11 1 3.5700 bmse011721 1 12 1 3.5614 bmse011721 1 13 1 3.5497 bmse011721 1 14 1 3.7426 bmse011721 1 15 1 3.7285 bmse011721 1 16 1 3.7222 bmse011721 1 17 1 3.7083 bmse011721 1 18 1 2.0562 bmse011721 1 19 1 2.0481 bmse011721 1 20 1 2.0420 bmse011721 1 21 1 2.0342 bmse011721 1 22 1 2.0263 bmse011721 1 23 1 2.0202 bmse011721 1 24 1 2.0122 bmse011721 1 25 1 2.2952 bmse011721 1 26 1 2.2826 bmse011721 1 27 1 2.2699 bmse011721 1 28 1 2.2602 bmse011721 1 29 1 2.2478 bmse011721 1 30 1 2.2349 bmse011721 1 31 1 2.5968 bmse011721 1 32 1 2.6000 bmse011721 1 33 1 2.6031 bmse011721 1 34 1 2.6060 bmse011721 1 35 1 2.6091 bmse011721 1 36 1 1.1099 bmse011721 1 37 1 0.9774 bmse011721 1 38 1 3.4850 bmse011721 1 39 1 3.3660 bmse011721 1 stop_ save_