######################### # 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 bmse011695 _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 bmse011695 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 bmse011695 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011695 1 2 bmse011695 1 3 bmse011695 1 4 bmse011695 1 5 bmse011695 1 6 bmse011695 1 7 bmse011695 1 8 bmse011695 1 9 bmse011695 1 10 bmse011695 1 11 bmse011695 1 12 bmse011695 1 13 bmse011695 1 14 bmse011695 1 15 bmse011695 1 16 bmse011695 1 17 bmse011695 1 18 bmse011695 1 19 bmse011695 1 20 bmse011695 1 21 bmse011695 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 0.9921 t_9H bmse011695 1 2 1 7.1749 m_3H bmse011695 1 3 1 0.7957 t_1H bmse011695 1 4 1 2.2412 d_6H bmse011695 1 5 1 3.2699 s_1H bmse011695 1 6 1 2.7903 s_24H bmse011695 1 7 1 2.2095 m_1H bmse011695 1 8 1 7.2180 m_3H bmse011695 1 9 1 7.4396 s_2H bmse011695 1 10 1 7.4660 m_1H bmse011695 1 11 1 2.3363 s_4H bmse011695 1 12 1 6.9319 d_1H bmse011695 1 13 1 2.4821 Imp1 bmse011695 1 14 1 2.7325 Imp2 bmse011695 1 15 1 7.1459 d_1H bmse011695 1 16 1 7.3219 m_2H bmse011695 1 17 1 7.6523 m_3H bmse011695 1 18 1 3.0372 m_18H bmse011695 1 19 1 2.6028 DMSO bmse011695 1 20 1 3.1250 q_9H_Q1 bmse011695 1 21 1 1.8111 m_9H bmse011695 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 7.2076 bmse011695 1 2 2 1 8.0329 bmse011695 1 3 3 1 7.4277 bmse011695 1 4 4 1 5.1718 bmse011695 1 5 5 1 0.0000 bmse011695 1 6 6 1 0.0000 bmse011695 1 7 7 1 7.8128 bmse011695 1 8 8 1 8.4730 bmse011695 1 9 9 1 0.0000 bmse011695 1 10 10 1 7.4827 bmse011695 1 11 11 1 0.0000 bmse011695 1 12 12 1 5.0618 bmse011695 1 13 13 1 0.0000 bmse011695 1 14 14 1 0.0000 bmse011695 1 15 15 1 5.7220 bmse011695 1 16 16 1 4.2915 bmse011695 1 17 17 1 4.1448 bmse011695 1 18 18 1 4.1485 bmse011695 1 19 19 1 1.8982 bmse011695 1 20 20 1 6.4923 bmse011695 1 21 21 1 7.2901 bmse011695 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011695 1 2 bmse011695 1 3 bmse011695 1 4 bmse011695 1 5 bmse011695 1 6 bmse011695 1 7 bmse011695 1 8 bmse011695 1 9 bmse011695 1 10 bmse011695 1 11 bmse011695 1 12 bmse011695 1 13 bmse011695 1 14 bmse011695 1 15 bmse011695 1 16 bmse011695 1 17 bmse011695 1 18 bmse011695 1 19 bmse011695 1 20 bmse011695 1 21 bmse011695 1 22 bmse011695 1 23 bmse011695 1 24 bmse011695 1 25 bmse011695 1 26 bmse011695 1 27 bmse011695 1 28 bmse011695 1 29 bmse011695 1 30 bmse011695 1 31 bmse011695 1 32 bmse011695 1 33 bmse011695 1 34 bmse011695 1 35 bmse011695 1 36 bmse011695 1 37 bmse011695 1 38 bmse011695 1 39 bmse011695 1 40 bmse011695 1 41 bmse011695 1 42 bmse011695 1 43 bmse011695 1 44 bmse011695 1 45 bmse011695 1 46 bmse011695 1 47 bmse011695 1 48 bmse011695 1 49 bmse011695 1 50 bmse011695 1 51 bmse011695 1 52 bmse011695 1 53 bmse011695 1 54 bmse011695 1 55 bmse011695 1 56 bmse011695 1 57 bmse011695 1 58 bmse011695 1 59 bmse011695 1 60 bmse011695 1 61 bmse011695 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 0.9801 bmse011695 1 2 1 0.9920 bmse011695 1 3 1 1.0041 bmse011695 1 4 1 7.1682 bmse011695 1 5 1 7.1816 bmse011695 1 6 1 0.7834 bmse011695 1 7 1 0.7956 bmse011695 1 8 1 0.8081 bmse011695 1 9 1 2.2369 bmse011695 1 10 1 2.2456 bmse011695 1 11 1 3.2699 bmse011695 1 12 1 2.7903 bmse011695 1 13 1 2.2160 bmse011695 1 14 1 2.2030 bmse011695 1 15 1 7.2110 bmse011695 1 16 1 7.2251 bmse011695 1 17 1 7.4396 bmse011695 1 18 1 7.4722 bmse011695 1 19 1 7.4598 bmse011695 1 20 1 2.3363 bmse011695 1 21 1 6.9277 bmse011695 1 22 1 6.9361 bmse011695 1 23 1 2.4821 bmse011695 1 24 1 2.7325 bmse011695 1 25 1 7.1411 bmse011695 1 26 1 7.1506 bmse011695 1 27 1 7.3290 bmse011695 1 28 1 7.3230 bmse011695 1 29 1 7.3147 bmse011695 1 30 1 7.6730 bmse011695 1 31 1 7.6695 bmse011695 1 32 1 7.6622 bmse011695 1 33 1 7.6587 bmse011695 1 34 1 7.6455 bmse011695 1 35 1 7.6433 bmse011695 1 36 1 7.6316 bmse011695 1 37 1 3.0717 bmse011695 1 38 1 3.0636 bmse011695 1 39 1 3.0585 bmse011695 1 40 1 3.0581 bmse011695 1 41 1 3.0541 bmse011695 1 42 1 3.0451 bmse011695 1 43 1 3.0358 bmse011695 1 44 1 3.0268 bmse011695 1 45 1 3.0235 bmse011695 1 46 1 3.0145 bmse011695 1 47 1 3.0026 bmse011695 1 48 1 2.5965 bmse011695 1 49 1 2.6000 bmse011695 1 50 1 2.6031 bmse011695 1 51 1 2.6062 bmse011695 1 52 1 2.6091 bmse011695 1 53 1 3.1087 bmse011695 1 54 1 3.1196 bmse011695 1 55 1 3.1302 bmse011695 1 56 1 3.1412 bmse011695 1 57 1 1.8354 bmse011695 1 58 1 1.8240 bmse011695 1 59 1 1.8107 bmse011695 1 60 1 1.7975 bmse011695 1 61 1 1.7868 bmse011695 1 stop_ save_