######################### # 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 bmse011521 _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 bmse011521 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 bmse011521 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011521 1 2 bmse011521 1 4 bmse011521 1 5 bmse011521 1 6 bmse011521 1 7 bmse011521 1 9 bmse011521 1 10 bmse011521 1 11 bmse011521 1 12 bmse011521 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 4.6500 SUP bmse011521 1 2 1 7.5589 11_dd bmse011521 1 3 1 2.3279 13_s bmse011521 1 4 1 4.1457 4_m_Q2 bmse011521 1 5 1 6.7254 10,12_m_Q3 bmse011521 1 6 1 2.9257 7_dd_Q1 bmse011521 1 7 1 3.1496 9_m bmse011521 1 8 1 2.6024 DMSO bmse011521 1 9 1 1.3055 14_d bmse011521 1 10 1 3.4043 8_m bmse011521 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 0.0000 bmse011521 1 2 2 1 7.9779 bmse011521 1 3 2 1 7.9779 bmse011521 1 4 3 1 0.0000 bmse011521 1 5 4 1 9.0892 bmse011521 1 6 5 1 88.1803 bmse011521 1 7 6 1 14.1951 bmse011521 1 8 6 1 10.7839 bmse011521 1 9 7 1 5.5963 bmse011521 1 10 8 1 1.9532 bmse011521 1 11 9 1 6.6024 bmse011521 1 12 10 1 85.6182 bmse011521 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011521 1 2 bmse011521 1 3 bmse011521 1 4 bmse011521 1 5 bmse011521 1 6 bmse011521 1 7 bmse011521 1 8 bmse011521 1 9 bmse011521 1 10 bmse011521 1 11 bmse011521 1 12 bmse011521 1 13 bmse011521 1 14 bmse011521 1 15 bmse011521 1 16 bmse011521 1 17 bmse011521 1 18 bmse011521 1 19 bmse011521 1 20 bmse011521 1 21 bmse011521 1 22 bmse011521 1 23 bmse011521 1 24 bmse011521 1 25 bmse011521 1 26 bmse011521 1 27 bmse011521 1 28 bmse011521 1 29 bmse011521 1 30 bmse011521 1 31 bmse011521 1 32 bmse011521 1 33 bmse011521 1 34 bmse011521 1 35 bmse011521 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 4.6500 bmse011521 1 2 1 7.5721 bmse011521 1 3 1 7.5589 bmse011521 1 4 1 7.5589 bmse011521 1 5 1 7.5456 bmse011521 1 6 1 2.3279 bmse011521 1 7 1 4.1835 bmse011521 1 8 1 4.1599 bmse011521 1 9 1 4.1390 bmse011521 1 10 1 4.1210 bmse011521 1 11 1 4.1183 bmse011521 1 12 1 4.1078 bmse011521 1 13 1 6.7988 bmse011521 1 14 1 6.6519 bmse011521 1 15 1 2.9465 bmse011521 1 16 1 2.9285 bmse011521 1 17 1 2.9228 bmse011521 1 18 1 2.9049 bmse011521 1 19 1 3.1823 bmse011521 1 20 1 3.1599 bmse011521 1 21 1 3.1572 bmse011521 1 22 1 3.1531 bmse011521 1 23 1 3.1476 bmse011521 1 24 1 3.1434 bmse011521 1 25 1 3.1392 bmse011521 1 26 1 3.1170 bmse011521 1 27 1 2.5959 bmse011521 1 28 1 2.5998 bmse011521 1 29 1 2.6025 bmse011521 1 30 1 2.6053 bmse011521 1 31 1 2.6089 bmse011521 1 32 1 1.3000 bmse011521 1 33 1 1.3110 bmse011521 1 34 1 3.4756 bmse011521 1 35 1 3.3330 bmse011521 1 stop_ save_