######################### # 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 bmse011522 _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 bmse011522 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 bmse011522 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011522 1 2 bmse011522 1 3 bmse011522 1 4 bmse011522 1 5 bmse011522 1 7 bmse011522 1 9 bmse011522 1 10 bmse011522 1 13 bmse011522 1 16 bmse011522 1 17 bmse011522 1 18 bmse011522 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 7.6588 13_m bmse011522 1 2 1 2.6742 7_m_Q3 bmse011522 1 3 1 4.6500 SUP bmse011522 1 4 1 7.8021 9_d bmse011522 1 5 1 3.4456 5_dd bmse011522 1 6 1 2.9898 6_dd bmse011522 1 7 1 3.2390 6_m bmse011522 1 8 1 2.1759 11_ddd_Q2 bmse011522 1 9 1 1.7285 11_ddd_Q1 bmse011522 1 10 1 3.3405 7,8_m bmse011522 1 11 1 6.7490 10,12_m bmse011522 1 12 1 2.6025 DMSO bmse011522 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 2.9527 bmse011522 1 2 2 1 7.7028 bmse011522 1 3 3 1 0.0000 bmse011522 1 4 4 1 5.9421 bmse011522 1 5 5 1 12.0493 bmse011522 1 6 5 1 7.9779 bmse011522 1 7 6 1 11.9943 bmse011522 1 8 6 1 8.1429 bmse011522 1 9 7 1 5.6120 bmse011522 1 10 8 1 20.8800 bmse011522 1 11 8 1 7.7303 bmse011522 1 12 8 1 5.1443 bmse011522 1 13 9 1 16.7810 bmse011522 1 14 9 1 13.4798 bmse011522 1 15 9 1 8.4180 bmse011522 1 16 10 1 66.2129 bmse011522 1 17 11 1 58.2346 bmse011522 1 18 12 1 1.7606 bmse011522 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011522 1 2 bmse011522 1 3 bmse011522 1 4 bmse011522 1 5 bmse011522 1 6 bmse011522 1 7 bmse011522 1 8 bmse011522 1 9 bmse011522 1 10 bmse011522 1 11 bmse011522 1 12 bmse011522 1 13 bmse011522 1 14 bmse011522 1 15 bmse011522 1 16 bmse011522 1 17 bmse011522 1 18 bmse011522 1 19 bmse011522 1 20 bmse011522 1 21 bmse011522 1 22 bmse011522 1 23 bmse011522 1 24 bmse011522 1 25 bmse011522 1 26 bmse011522 1 27 bmse011522 1 28 bmse011522 1 29 bmse011522 1 30 bmse011522 1 31 bmse011522 1 32 bmse011522 1 33 bmse011522 1 34 bmse011522 1 35 bmse011522 1 36 bmse011522 1 37 bmse011522 1 38 bmse011522 1 39 bmse011522 1 40 bmse011522 1 41 bmse011522 1 42 bmse011522 1 43 bmse011522 1 44 bmse011522 1 45 bmse011522 1 46 bmse011522 1 47 bmse011522 1 48 bmse011522 1 49 bmse011522 1 50 bmse011522 1 51 bmse011522 1 52 bmse011522 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 7.6735 bmse011522 1 2 1 7.6706 bmse011522 1 3 1 7.6614 bmse011522 1 4 1 7.6587 bmse011522 1 5 1 7.6559 bmse011522 1 6 1 7.6468 bmse011522 1 7 1 7.6440 bmse011522 1 8 1 2.6999 bmse011522 1 9 1 2.6871 bmse011522 1 10 1 2.6742 bmse011522 1 11 1 2.6614 bmse011522 1 12 1 2.6485 bmse011522 1 13 1 4.6500 bmse011522 1 14 1 7.7971 bmse011522 1 15 1 7.8070 bmse011522 1 16 1 3.4622 bmse011522 1 17 1 3.4490 bmse011522 1 18 1 3.4423 bmse011522 1 19 1 3.4289 bmse011522 1 20 1 3.0066 bmse011522 1 21 1 2.9931 bmse011522 1 22 1 2.9866 bmse011522 1 23 1 2.9731 bmse011522 1 24 1 3.2624 bmse011522 1 25 1 3.2488 bmse011522 1 26 1 3.2428 bmse011522 1 27 1 3.2353 bmse011522 1 28 1 3.2294 bmse011522 1 29 1 3.2156 bmse011522 1 30 1 2.2039 bmse011522 1 31 1 2.1955 bmse011522 1 32 1 2.1913 bmse011522 1 33 1 2.1825 bmse011522 1 34 1 2.1693 bmse011522 1 35 1 2.1607 bmse011522 1 36 1 2.1563 bmse011522 1 37 1 2.1478 bmse011522 1 38 1 1.7608 bmse011522 1 39 1 1.7467 bmse011522 1 40 1 1.7382 bmse011522 1 41 1 1.7243 bmse011522 1 42 1 1.7327 bmse011522 1 43 1 1.7188 bmse011522 1 44 1 1.7104 bmse011522 1 45 1 1.6962 bmse011522 1 46 1 3.3957 bmse011522 1 47 1 3.2853 bmse011522 1 48 1 6.7975 bmse011522 1 49 1 6.7004 bmse011522 1 50 1 2.5996 bmse011522 1 51 1 2.6025 bmse011522 1 52 1 2.6055 bmse011522 1 stop_ save_