######################### # 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 bmse011604 _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 bmse011604 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 bmse011604 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011604 1 2 bmse011604 1 3 bmse011604 1 4 bmse011604 1 5 bmse011604 1 6 bmse011604 1 7 bmse011604 1 8 bmse011604 1 9 bmse011604 1 10 bmse011604 1 11 bmse011604 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 3.2774 5_m_Q3 bmse011604 1 2 1 4.6500 SUP bmse011604 1 3 1 1.0279 10,11,12_m bmse011604 1 4 1 1.6037 13_m bmse011604 1 5 1 1.9040 7,8_m bmse011604 1 6 1 2.8205 9_m bmse011604 1 7 1 3.0587 6,9_m_Q2 bmse011604 1 8 1 1.7954 13_m bmse011604 1 9 1 2.4205 8_sept bmse011604 1 10 1 2.6031 DMSO bmse011604 1 11 1 1.1599 10_m_Q1 bmse011604 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 11.0039 bmse011604 1 2 2 1 0.0000 bmse011604 1 3 3 1 48.6070 bmse011604 1 4 4 1 3.7244 bmse011604 1 5 5 1 84.5547 bmse011604 1 6 6 1 5.8541 bmse011604 1 7 7 1 59.0993 bmse011604 1 8 8 1 2.7877 bmse011604 1 9 9 1 6.9692 bmse011604 1 10 10 1 1.6506 bmse011604 1 11 11 1 4.7775 bmse011604 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011604 1 2 bmse011604 1 3 bmse011604 1 4 bmse011604 1 5 bmse011604 1 6 bmse011604 1 7 bmse011604 1 8 bmse011604 1 9 bmse011604 1 10 bmse011604 1 11 bmse011604 1 12 bmse011604 1 13 bmse011604 1 14 bmse011604 1 15 bmse011604 1 16 bmse011604 1 17 bmse011604 1 18 bmse011604 1 19 bmse011604 1 20 bmse011604 1 21 bmse011604 1 22 bmse011604 1 23 bmse011604 1 24 bmse011604 1 25 bmse011604 1 26 bmse011604 1 27 bmse011604 1 28 bmse011604 1 29 bmse011604 1 30 bmse011604 1 31 bmse011604 1 32 bmse011604 1 33 bmse011604 1 34 bmse011604 1 35 bmse011604 1 36 bmse011604 1 37 bmse011604 1 38 bmse011604 1 39 bmse011604 1 40 bmse011604 1 41 bmse011604 1 42 bmse011604 1 43 bmse011604 1 44 bmse011604 1 45 bmse011604 1 46 bmse011604 1 47 bmse011604 1 48 bmse011604 1 49 bmse011604 1 50 bmse011604 1 51 bmse011604 1 52 bmse011604 1 53 bmse011604 1 54 bmse011604 1 55 bmse011604 1 56 bmse011604 1 57 bmse011604 1 58 bmse011604 1 59 bmse011604 1 60 bmse011604 1 61 bmse011604 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 3.3049 bmse011604 1 2 1 3.2776 bmse011604 1 3 1 3.2556 bmse011604 1 4 1 3.2499 bmse011604 1 5 1 4.6500 bmse011604 1 6 1 1.0684 bmse011604 1 7 1 0.9874 bmse011604 1 8 1 1.6440 bmse011604 1 9 1 1.6376 bmse011604 1 10 1 1.6310 bmse011604 1 11 1 1.6225 bmse011604 1 12 1 1.6222 bmse011604 1 13 1 1.6158 bmse011604 1 14 1 1.6093 bmse011604 1 15 1 1.6088 bmse011604 1 16 1 1.5980 bmse011604 1 17 1 1.5921 bmse011604 1 18 1 1.5855 bmse011604 1 19 1 1.5767 bmse011604 1 20 1 1.5701 bmse011604 1 21 1 1.5633 bmse011604 1 22 1 1.9744 bmse011604 1 23 1 1.8335 bmse011604 1 24 1 2.8449 bmse011604 1 25 1 2.8392 bmse011604 1 26 1 2.8233 bmse011604 1 27 1 2.8180 bmse011604 1 28 1 2.8016 bmse011604 1 29 1 2.7961 bmse011604 1 30 1 3.1079 bmse011604 1 31 1 3.0095 bmse011604 1 32 1 1.8094 bmse011604 1 33 1 1.8066 bmse011604 1 34 1 1.7964 bmse011604 1 35 1 1.7940 bmse011604 1 36 1 1.7866 bmse011604 1 37 1 1.7843 bmse011604 1 38 1 1.7815 bmse011604 1 39 1 2.3856 bmse011604 1 40 1 2.3974 bmse011604 1 41 1 2.4089 bmse011604 1 42 1 2.4205 bmse011604 1 43 1 2.4320 bmse011604 1 44 1 2.4436 bmse011604 1 45 1 2.4553 bmse011604 1 46 1 2.6058 bmse011604 1 47 1 2.6027 bmse011604 1 48 1 2.6003 bmse011604 1 49 1 1.2076 bmse011604 1 50 1 1.2010 bmse011604 1 51 1 1.1860 bmse011604 1 52 1 1.1854 bmse011604 1 53 1 1.1799 bmse011604 1 54 1 1.1787 bmse011604 1 55 1 1.1649 bmse011604 1 56 1 1.1592 bmse011604 1 57 1 1.1442 bmse011604 1 58 1 1.1378 bmse011604 1 59 1 1.1323 bmse011604 1 60 1 1.1248 bmse011604 1 61 1 1.1121 bmse011604 1 stop_ save_