######################### # 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 bmse011046 _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 bmse011046 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 bmse011046 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011046 1 2 bmse011046 1 3 bmse011046 1 4 bmse011046 1 5 bmse011046 1 7 bmse011046 1 8 bmse011046 1 10 bmse011046 1 11 bmse011046 1 12 bmse011046 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 bmse011046 1 2 1 7.6012 5_d_Q3 bmse011046 1 3 1 2.4720 12_s_Q1 bmse011046 1 4 1 2.6028 DMSO bmse011046 1 5 1 7.4355 13_dd bmse011046 1 6 1 7.0945 14_d bmse011046 1 7 1 6.9999 16_dd_Q2 bmse011046 1 8 1 7.2809 17_m bmse011046 1 9 1 6.8684 8_d bmse011046 1 10 1 3.7983 15_s bmse011046 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 bmse011046 1 2 2 1 3.6313 bmse011046 1 3 3 1 0.0000 bmse011046 1 4 4 1 1.9532 bmse011046 1 5 5 1 7.8678 bmse011046 1 6 5 1 1.0454 bmse011046 1 7 6 1 7.9228 bmse011046 1 8 7 1 7.7028 bmse011046 1 9 7 1 7.7028 bmse011046 1 10 8 1 4.2640 bmse011046 1 11 9 1 3.4112 bmse011046 1 12 10 1 0.0000 bmse011046 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011046 1 2 bmse011046 1 3 bmse011046 1 4 bmse011046 1 5 bmse011046 1 6 bmse011046 1 7 bmse011046 1 8 bmse011046 1 9 bmse011046 1 10 bmse011046 1 11 bmse011046 1 12 bmse011046 1 13 bmse011046 1 14 bmse011046 1 15 bmse011046 1 16 bmse011046 1 17 bmse011046 1 18 bmse011046 1 19 bmse011046 1 20 bmse011046 1 21 bmse011046 1 22 bmse011046 1 23 bmse011046 1 24 bmse011046 1 25 bmse011046 1 26 bmse011046 1 27 bmse011046 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 bmse011046 1 2 1 7.5982 bmse011046 1 3 1 7.6042 bmse011046 1 4 1 2.4720 bmse011046 1 5 1 2.5963 bmse011046 1 6 1 2.5998 bmse011046 1 7 1 2.6029 bmse011046 1 8 1 2.6058 bmse011046 1 9 1 2.6093 bmse011046 1 10 1 7.4429 bmse011046 1 11 1 7.4411 bmse011046 1 12 1 7.4297 bmse011046 1 13 1 7.4280 bmse011046 1 14 1 7.0879 bmse011046 1 15 1 7.1011 bmse011046 1 16 1 7.0128 bmse011046 1 17 1 6.9997 bmse011046 1 18 1 6.9997 bmse011046 1 19 1 6.9871 bmse011046 1 20 1 7.2951 bmse011046 1 21 1 7.2927 bmse011046 1 22 1 7.2815 bmse011046 1 23 1 7.2693 bmse011046 1 24 1 7.2667 bmse011046 1 25 1 6.8655 bmse011046 1 26 1 6.8712 bmse011046 1 27 1 3.7983 bmse011046 1 stop_ save_