######################### # 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 bmse011553 _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 bmse011553 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 bmse011553 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011553 1 4 bmse011553 1 6 bmse011553 1 7 bmse011553 1 8 bmse011553 1 10 bmse011553 1 11 bmse011553 1 12 bmse011553 1 13 bmse011553 1 14 bmse011553 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 1.2065 12,13_ddd_Q1 bmse011553 1 2 1 1.6002 12,13_dd bmse011553 1 3 1 2.3612 4_d bmse011553 1 4 1 2.7238 Imp2 bmse011553 1 5 1 3.8865 10,11_dd bmse011553 1 6 1 1.8646 5_m_Q2 bmse011553 1 7 1 3.3920 10,11_m bmse011553 1 8 1 2.6030 DMSO bmse011553 1 9 1 4.6500 SUP bmse011553 1 10 1 3.1830 8,9_t_Q3 bmse011553 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 25.5016 bmse011553 1 2 1 1 12.2419 bmse011553 1 3 1 1 4.5391 bmse011553 1 4 2 1 13.2047 bmse011553 1 5 2 1 1.7606 bmse011553 1 6 3 1 7.2626 bmse011553 1 7 4 1 0.0000 bmse011553 1 8 5 1 11.2240 bmse011553 1 9 5 1 3.9614 bmse011553 1 10 6 1 3.4571 bmse011553 1 11 7 1 5.1939 bmse011553 1 12 8 1 1.8432 bmse011553 1 13 9 1 0.0000 bmse011553 1 14 10 1 5.2819 bmse011553 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011553 1 2 bmse011553 1 3 bmse011553 1 4 bmse011553 1 5 bmse011553 1 6 bmse011553 1 7 bmse011553 1 8 bmse011553 1 9 bmse011553 1 10 bmse011553 1 11 bmse011553 1 12 bmse011553 1 13 bmse011553 1 14 bmse011553 1 15 bmse011553 1 16 bmse011553 1 17 bmse011553 1 18 bmse011553 1 19 bmse011553 1 20 bmse011553 1 21 bmse011553 1 22 bmse011553 1 23 bmse011553 1 24 bmse011553 1 25 bmse011553 1 26 bmse011553 1 27 bmse011553 1 28 bmse011553 1 29 bmse011553 1 30 bmse011553 1 31 bmse011553 1 32 bmse011553 1 33 bmse011553 1 34 bmse011553 1 35 bmse011553 1 36 bmse011553 1 37 bmse011553 1 38 bmse011553 1 39 bmse011553 1 40 bmse011553 1 41 bmse011553 1 42 bmse011553 1 43 bmse011553 1 44 bmse011553 1 45 bmse011553 1 46 bmse011553 1 47 bmse011553 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 1.2417 bmse011553 1 2 1 1.2342 bmse011553 1 3 1 1.2214 bmse011553 1 4 1 1.2137 bmse011553 1 5 1 1.1992 bmse011553 1 6 1 1.1917 bmse011553 1 7 1 1.1788 bmse011553 1 8 1 1.1713 bmse011553 1 9 1 1.6126 bmse011553 1 10 1 1.6093 bmse011553 1 11 1 1.5903 bmse011553 1 12 1 1.5877 bmse011553 1 13 1 2.3552 bmse011553 1 14 1 2.3673 bmse011553 1 15 1 2.7238 bmse011553 1 16 1 3.8992 bmse011553 1 17 1 3.8927 bmse011553 1 18 1 3.8806 bmse011553 1 19 1 3.8739 bmse011553 1 20 1 1.8992 bmse011553 1 21 1 1.8932 bmse011553 1 22 1 1.8867 bmse011553 1 23 1 1.8864 bmse011553 1 24 1 1.8803 bmse011553 1 25 1 1.8741 bmse011553 1 26 1 1.8679 bmse011553 1 27 1 1.8614 bmse011553 1 28 1 1.8556 bmse011553 1 29 1 1.8492 bmse011553 1 30 1 1.8426 bmse011553 1 31 1 1.8365 bmse011553 1 32 1 1.8301 bmse011553 1 33 1 3.4137 bmse011553 1 34 1 3.4104 bmse011553 1 35 1 3.3933 bmse011553 1 36 1 3.3906 bmse011553 1 37 1 3.3735 bmse011553 1 38 1 3.3704 bmse011553 1 39 1 2.5968 bmse011553 1 40 1 2.5998 bmse011553 1 41 1 2.6029 bmse011553 1 42 1 2.6060 bmse011553 1 43 1 2.6091 bmse011553 1 44 1 4.6500 bmse011553 1 45 1 3.1742 bmse011553 1 46 1 3.1830 bmse011553 1 47 1 3.1918 bmse011553 1 stop_ save_