######################### # 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 bmse011278 _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 bmse011278 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 bmse011278 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011278 1 2 bmse011278 1 3 bmse011278 1 4 bmse011278 1 5 bmse011278 1 6 bmse011278 1 7 bmse011278 1 8 bmse011278 1 9 bmse011278 1 10 bmse011278 1 11 bmse011278 1 12 bmse011278 1 14 bmse011278 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 2.7135 Imp2 bmse011278 1 2 1 6.8825 d_2H bmse011278 1 3 1 8.2676 m_1H bmse011278 1 4 1 7.0647 m_4H bmse011278 1 5 1 6.8187 m_2H bmse011278 1 6 1 7.2576 m_4H bmse011278 1 7 1 3.2701 s_2H bmse011278 1 8 1 7.1810 t_2H_Q1 bmse011278 1 9 1 1.0928 m_3H bmse011278 1 10 1 8.3499 s_1H bmse011278 1 11 1 3.5684 q_2H bmse011278 1 12 1 6.5926 dd_2H bmse011278 1 13 1 2.6032 DMSO bmse011278 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 bmse011278 1 2 2 1 2.0907 bmse011278 1 3 3 1 4.6217 bmse011278 1 4 4 1 8.7481 bmse011278 1 5 5 1 4.5666 bmse011278 1 6 6 1 3.4387 bmse011278 1 7 7 1 0.0000 bmse011278 1 8 8 1 8.0879 bmse011278 1 9 9 1 7.1526 bmse011278 1 10 10 1 0.0000 bmse011278 1 11 11 1 7.1159 bmse011278 1 12 12 1 8.0329 bmse011278 1 13 12 1 1.9807 bmse011278 1 14 13 1 1.9532 bmse011278 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011278 1 2 bmse011278 1 3 bmse011278 1 4 bmse011278 1 5 bmse011278 1 6 bmse011278 1 7 bmse011278 1 8 bmse011278 1 9 bmse011278 1 10 bmse011278 1 11 bmse011278 1 12 bmse011278 1 13 bmse011278 1 14 bmse011278 1 15 bmse011278 1 16 bmse011278 1 17 bmse011278 1 18 bmse011278 1 19 bmse011278 1 20 bmse011278 1 21 bmse011278 1 22 bmse011278 1 23 bmse011278 1 24 bmse011278 1 25 bmse011278 1 26 bmse011278 1 27 bmse011278 1 28 bmse011278 1 29 bmse011278 1 30 bmse011278 1 31 bmse011278 1 32 bmse011278 1 33 bmse011278 1 34 bmse011278 1 35 bmse011278 1 36 bmse011278 1 37 bmse011278 1 38 bmse011278 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 2.7135 bmse011278 1 2 1 6.8807 bmse011278 1 3 1 6.8842 bmse011278 1 4 1 8.2753 bmse011278 1 5 1 8.2687 bmse011278 1 6 1 8.2599 bmse011278 1 7 1 7.0793 bmse011278 1 8 1 7.0648 bmse011278 1 9 1 7.0502 bmse011278 1 10 1 6.8263 bmse011278 1 11 1 6.8129 bmse011278 1 12 1 6.8111 bmse011278 1 13 1 7.2691 bmse011278 1 14 1 7.2608 bmse011278 1 15 1 7.2573 bmse011278 1 16 1 7.2542 bmse011278 1 17 1 7.2462 bmse011278 1 18 1 3.2701 bmse011278 1 19 1 7.1675 bmse011278 1 20 1 7.1809 bmse011278 1 21 1 7.1945 bmse011278 1 22 1 1.1048 bmse011278 1 23 1 1.0928 bmse011278 1 24 1 1.0809 bmse011278 1 25 1 8.3499 bmse011278 1 26 1 3.5506 bmse011278 1 27 1 3.5625 bmse011278 1 28 1 3.5743 bmse011278 1 29 1 3.5862 bmse011278 1 30 1 6.6010 bmse011278 1 31 1 6.5975 bmse011278 1 32 1 6.5874 bmse011278 1 33 1 6.5843 bmse011278 1 34 1 2.5967 bmse011278 1 35 1 2.6001 bmse011278 1 36 1 2.6031 bmse011278 1 37 1 2.6060 bmse011278 1 38 1 2.6097 bmse011278 1 stop_ save_