######################### # 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 bmse011415 _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 bmse011415 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 bmse011415 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011415 1 2 bmse011415 1 3 bmse011415 1 4 bmse011415 1 5 bmse011415 1 6 bmse011415 1 7 bmse011415 1 9 bmse011415 1 10 bmse011415 1 12 bmse011415 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 2.8712 4_m_Q1 bmse011415 1 2 1 3.6878 3,9_m bmse011415 1 3 1 1.2605 7_d bmse011415 1 4 1 2.0596 6,9_m bmse011415 1 5 1 4.6500 SUP bmse011415 1 6 1 2.6031 DMSO bmse011415 1 7 1 3.0934 10_dd_Q2 bmse011415 1 8 1 1.1989 7_d bmse011415 1 9 1 7.3474 15,16_dd bmse011415 1 10 1 7.2651 13,14,17_m bmse011415 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 6.3548 bmse011415 1 2 2 1 153.1992 bmse011415 1 3 3 1 6.4923 bmse011415 1 4 4 1 190.3869 bmse011415 1 5 5 1 0.0000 bmse011415 1 6 6 1 1.8156 bmse011415 1 7 7 1 11.7192 bmse011415 1 8 7 1 11.7192 bmse011415 1 9 8 1 6.4923 bmse011415 1 10 9 1 7.5927 bmse011415 1 11 9 1 7.5927 bmse011415 1 12 10 1 64.8757 bmse011415 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011415 1 2 bmse011415 1 3 bmse011415 1 4 bmse011415 1 5 bmse011415 1 6 bmse011415 1 7 bmse011415 1 8 bmse011415 1 9 bmse011415 1 10 bmse011415 1 11 bmse011415 1 12 bmse011415 1 13 bmse011415 1 14 bmse011415 1 15 bmse011415 1 16 bmse011415 1 17 bmse011415 1 18 bmse011415 1 19 bmse011415 1 20 bmse011415 1 21 bmse011415 1 22 bmse011415 1 23 bmse011415 1 24 bmse011415 1 25 bmse011415 1 26 bmse011415 1 27 bmse011415 1 28 bmse011415 1 29 bmse011415 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 2.8924 bmse011415 1 2 1 2.8867 bmse011415 1 3 1 2.8720 bmse011415 1 4 1 2.8590 bmse011415 1 5 1 2.8500 bmse011415 1 6 1 3.8154 bmse011415 1 7 1 3.5602 bmse011415 1 8 1 1.2551 bmse011415 1 9 1 1.2659 bmse011415 1 10 1 2.2182 bmse011415 1 11 1 1.9010 bmse011415 1 12 1 4.6500 bmse011415 1 13 1 2.5970 bmse011415 1 14 1 2.6000 bmse011415 1 15 1 2.6031 bmse011415 1 16 1 2.6062 bmse011415 1 17 1 2.6091 bmse011415 1 18 1 3.1130 bmse011415 1 19 1 3.0928 bmse011415 1 20 1 3.0928 bmse011415 1 21 1 3.0739 bmse011415 1 22 1 1.1935 bmse011415 1 23 1 1.2043 bmse011415 1 24 1 7.3600 bmse011415 1 25 1 7.3472 bmse011415 1 26 1 7.3472 bmse011415 1 27 1 7.3347 bmse011415 1 28 1 7.3191 bmse011415 1 29 1 7.2110 bmse011415 1 stop_ save_