######################### # 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 bmse011531 _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 bmse011531 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 bmse011531 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011531 1 2 bmse011531 1 3 bmse011531 1 5 bmse011531 1 6 bmse011531 1 7 bmse011531 1 8 bmse011531 1 10 bmse011531 1 12 bmse011531 1 13 bmse011531 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 2.1581 6,9_m bmse011531 1 2 1 4.6500 SUP bmse011531 1 3 1 1.0079 10_dd bmse011531 1 4 1 2.2595 9_m_Q1 bmse011531 1 5 1 3.3208 8_m bmse011531 1 6 1 1.9439 6_m bmse011531 1 7 1 3.1604 7_dd_Q2 bmse011531 1 8 1 3.4790 7_dd_Q3 bmse011531 1 9 1 2.6025 DMSO bmse011531 1 10 1 3.3936 8_m bmse011531 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 66.5953 bmse011531 1 2 2 1 0.0000 bmse011531 1 3 3 1 7.6477 bmse011531 1 4 3 1 7.6477 bmse011531 1 5 4 1 7.3066 bmse011531 1 6 5 1 5.3479 bmse011531 1 7 6 1 6.7344 bmse011531 1 8 7 1 12.3794 bmse011531 1 9 7 1 4.6767 bmse011531 1 10 8 1 12.2694 bmse011531 1 11 8 1 6.9875 bmse011531 1 12 9 1 0.0000 bmse011531 1 13 10 1 5.3919 bmse011531 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011531 1 2 bmse011531 1 3 bmse011531 1 4 bmse011531 1 5 bmse011531 1 6 bmse011531 1 7 bmse011531 1 8 bmse011531 1 9 bmse011531 1 10 bmse011531 1 11 bmse011531 1 12 bmse011531 1 13 bmse011531 1 14 bmse011531 1 15 bmse011531 1 16 bmse011531 1 17 bmse011531 1 18 bmse011531 1 19 bmse011531 1 20 bmse011531 1 21 bmse011531 1 22 bmse011531 1 23 bmse011531 1 24 bmse011531 1 25 bmse011531 1 26 bmse011531 1 27 bmse011531 1 28 bmse011531 1 29 bmse011531 1 30 bmse011531 1 31 bmse011531 1 32 bmse011531 1 33 bmse011531 1 34 bmse011531 1 35 bmse011531 1 36 bmse011531 1 37 bmse011531 1 38 bmse011531 1 39 bmse011531 1 40 bmse011531 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 2.2136 bmse011531 1 2 1 2.1027 bmse011531 1 3 1 4.6500 bmse011531 1 4 1 1.0206 bmse011531 1 5 1 1.0078 bmse011531 1 6 1 1.0078 bmse011531 1 7 1 0.9951 bmse011531 1 8 1 2.2899 bmse011531 1 9 1 2.2775 bmse011531 1 10 1 2.2655 bmse011531 1 11 1 2.2544 bmse011531 1 12 1 2.2415 bmse011531 1 13 1 2.2290 bmse011531 1 14 1 3.3431 bmse011531 1 15 1 3.3317 bmse011531 1 16 1 3.3233 bmse011531 1 17 1 3.3187 bmse011531 1 18 1 3.3119 bmse011531 1 19 1 3.2985 bmse011531 1 20 1 1.9720 bmse011531 1 21 1 1.9610 bmse011531 1 22 1 1.9496 bmse011531 1 23 1 1.9388 bmse011531 1 24 1 1.9282 bmse011531 1 25 1 1.9159 bmse011531 1 26 1 3.1746 bmse011531 1 27 1 3.1665 bmse011531 1 28 1 3.1537 bmse011531 1 29 1 3.1462 bmse011531 1 30 1 3.4951 bmse011531 1 31 1 3.4833 bmse011531 1 32 1 3.4745 bmse011531 1 33 1 3.4630 bmse011531 1 34 1 2.6025 bmse011531 1 35 1 3.4160 bmse011531 1 36 1 3.4034 bmse011531 1 37 1 3.3962 bmse011531 1 38 1 3.3906 bmse011531 1 39 1 3.3836 bmse011531 1 40 1 3.3711 bmse011531 1 stop_ save_