######################### # 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 bmse011720 _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 bmse011720 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 bmse011720 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011720 1 2 bmse011720 1 3 bmse011720 1 4 bmse011720 1 5 bmse011720 1 7 bmse011720 1 8 bmse011720 1 9 bmse011720 1 10 bmse011720 1 11 bmse011720 1 13 bmse011720 1 14 bmse011720 1 15 bmse011720 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 1.8074 10,11_d bmse011720 1 2 1 2.6027 DMSO bmse011720 1 3 1 7.6656 13_d bmse011720 1 4 1 1.2511 10,11_m_Q1 bmse011720 1 5 1 7.1816 16_dd bmse011720 1 6 1 7.5009 3,14_m bmse011720 1 7 1 3.4402 8,9_d_Q2 bmse011720 1 8 1 4.6500 SUP bmse011720 1 9 1 0.8461 15_d bmse011720 1 10 1 7.2395 17_dd_Q3 bmse011720 1 11 1 1.5381 12_m bmse011720 1 12 1 2.9190 8,9_m bmse011720 1 13 1 4.4045 6_m bmse011720 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 14.6352 bmse011720 1 2 2 1 1.8156 bmse011720 1 3 3 1 8.0329 bmse011720 1 4 4 1 7.4093 bmse011720 1 5 5 1 7.3726 bmse011720 1 6 5 1 7.3726 bmse011720 1 7 6 1 60.4496 bmse011720 1 8 7 1 12.5445 bmse011720 1 9 8 1 0.0000 bmse011720 1 10 9 1 6.6024 bmse011720 1 11 10 1 7.3176 bmse011720 1 12 10 1 7.3176 bmse011720 1 13 11 1 3.3837 bmse011720 1 14 12 1 5.7661 bmse011720 1 15 13 1 0.0000 bmse011720 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011720 1 2 bmse011720 1 3 bmse011720 1 4 bmse011720 1 5 bmse011720 1 6 bmse011720 1 7 bmse011720 1 8 bmse011720 1 9 bmse011720 1 10 bmse011720 1 11 bmse011720 1 12 bmse011720 1 13 bmse011720 1 14 bmse011720 1 15 bmse011720 1 16 bmse011720 1 17 bmse011720 1 18 bmse011720 1 19 bmse011720 1 20 bmse011720 1 21 bmse011720 1 22 bmse011720 1 23 bmse011720 1 24 bmse011720 1 25 bmse011720 1 26 bmse011720 1 27 bmse011720 1 28 bmse011720 1 29 bmse011720 1 30 bmse011720 1 31 bmse011720 1 32 bmse011720 1 33 bmse011720 1 34 bmse011720 1 35 bmse011720 1 36 bmse011720 1 37 bmse011720 1 38 bmse011720 1 39 bmse011720 1 40 bmse011720 1 41 bmse011720 1 42 bmse011720 1 43 bmse011720 1 44 bmse011720 1 45 bmse011720 1 46 bmse011720 1 47 bmse011720 1 48 bmse011720 1 49 bmse011720 1 50 bmse011720 1 51 bmse011720 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 1.7953 bmse011720 1 2 1 1.8196 bmse011720 1 3 1 2.5967 bmse011720 1 4 1 2.5996 bmse011720 1 5 1 2.6027 bmse011720 1 6 1 2.6056 bmse011720 1 7 1 2.6088 bmse011720 1 8 1 7.6589 bmse011720 1 9 1 7.6723 bmse011720 1 10 1 1.2881 bmse011720 1 11 1 1.2815 bmse011720 1 12 1 1.2630 bmse011720 1 13 1 1.2590 bmse011720 1 14 1 1.2393 bmse011720 1 15 1 1.2205 bmse011720 1 16 1 1.2140 bmse011720 1 17 1 7.1939 bmse011720 1 18 1 7.1814 bmse011720 1 19 1 7.1814 bmse011720 1 20 1 7.1693 bmse011720 1 21 1 7.5512 bmse011720 1 22 1 7.4505 bmse011720 1 23 1 3.4298 bmse011720 1 24 1 3.4507 bmse011720 1 25 1 4.6500 bmse011720 1 26 1 0.8406 bmse011720 1 27 1 0.8516 bmse011720 1 28 1 7.2517 bmse011720 1 29 1 7.2396 bmse011720 1 30 1 7.2396 bmse011720 1 31 1 7.2273 bmse011720 1 32 1 1.5719 bmse011720 1 33 1 1.5652 bmse011720 1 34 1 1.5608 bmse011720 1 35 1 1.5519 bmse011720 1 36 1 1.5457 bmse011720 1 37 1 1.5408 bmse011720 1 38 1 1.5351 bmse011720 1 39 1 1.5294 bmse011720 1 40 1 1.5261 bmse011720 1 41 1 1.5210 bmse011720 1 42 1 1.5151 bmse011720 1 43 1 1.5090 bmse011720 1 44 1 1.5043 bmse011720 1 45 1 2.9430 bmse011720 1 46 1 2.9386 bmse011720 1 47 1 2.9210 bmse011720 1 48 1 2.9172 bmse011720 1 49 1 2.8992 bmse011720 1 50 1 2.8950 bmse011720 1 51 1 4.4045 bmse011720 1 stop_ save_