######################### # 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 bmse011530 _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 bmse011530 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 bmse011530 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011530 1 2 bmse011530 1 3 bmse011530 1 4 bmse011530 1 7 bmse011530 1 9 bmse011530 1 10 bmse011530 1 13 bmse011530 1 14 bmse011530 1 15 bmse011530 1 16 bmse011530 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 2.2423 14_s bmse011530 1 2 1 1.9075 13_m bmse011530 1 3 1 4.6500 SUP bmse011530 1 4 1 2.3188 15_ddd bmse011530 1 5 1 7.6731 11_dd_Q3 bmse011530 1 6 1 4.0253 5_m bmse011530 1 7 1 2.0208 15_ddd bmse011530 1 8 1 8.1162 8_d bmse011530 1 9 1 3.9025 12_m_Q1 bmse011530 1 10 1 7.5436 9_d_Q2 bmse011530 1 11 1 2.6029 DMSO bmse011530 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 bmse011530 1 2 2 1 3.5702 bmse011530 1 3 3 1 0.0000 bmse011530 1 4 4 1 15.7356 bmse011530 1 5 4 1 12.7095 bmse011530 1 6 4 1 7.4827 bmse011530 1 7 5 1 8.1429 bmse011530 1 8 5 1 1.8707 bmse011530 1 9 6 1 5.3369 bmse011530 1 10 7 1 19.0093 bmse011530 1 11 7 1 7.2901 bmse011530 1 12 7 1 5.8046 bmse011530 1 13 8 1 0.9904 bmse011530 1 14 9 1 5.4745 bmse011530 1 15 10 1 8.2530 bmse011530 1 16 11 1 1.8707 bmse011530 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011530 1 2 bmse011530 1 3 bmse011530 1 4 bmse011530 1 5 bmse011530 1 6 bmse011530 1 7 bmse011530 1 8 bmse011530 1 9 bmse011530 1 10 bmse011530 1 11 bmse011530 1 12 bmse011530 1 13 bmse011530 1 14 bmse011530 1 15 bmse011530 1 16 bmse011530 1 17 bmse011530 1 18 bmse011530 1 19 bmse011530 1 20 bmse011530 1 21 bmse011530 1 22 bmse011530 1 23 bmse011530 1 24 bmse011530 1 25 bmse011530 1 26 bmse011530 1 27 bmse011530 1 28 bmse011530 1 29 bmse011530 1 30 bmse011530 1 31 bmse011530 1 32 bmse011530 1 33 bmse011530 1 34 bmse011530 1 35 bmse011530 1 36 bmse011530 1 37 bmse011530 1 38 bmse011530 1 39 bmse011530 1 40 bmse011530 1 41 bmse011530 1 42 bmse011530 1 43 bmse011530 1 44 bmse011530 1 45 bmse011530 1 46 bmse011530 1 47 bmse011530 1 48 bmse011530 1 49 bmse011530 1 50 bmse011530 1 51 bmse011530 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 2.2423 bmse011530 1 2 1 1.9342 bmse011530 1 3 1 1.9280 bmse011530 1 4 1 1.9234 bmse011530 1 5 1 1.9163 bmse011530 1 6 1 1.9120 bmse011530 1 7 1 1.9043 bmse011530 1 8 1 1.9005 bmse011530 1 9 1 1.8924 bmse011530 1 10 1 1.8834 bmse011530 1 11 1 1.8807 bmse011530 1 12 1 4.6500 bmse011530 1 13 1 2.3488 bmse011530 1 14 1 2.3363 bmse011530 1 15 1 2.3275 bmse011530 1 16 1 2.3152 bmse011530 1 17 1 2.3226 bmse011530 1 18 1 2.3101 bmse011530 1 19 1 2.3015 bmse011530 1 20 1 2.2888 bmse011530 1 21 1 7.6814 bmse011530 1 22 1 7.6783 bmse011530 1 23 1 7.6679 bmse011530 1 24 1 7.6647 bmse011530 1 25 1 4.0431 bmse011530 1 26 1 4.0317 bmse011530 1 27 1 4.0295 bmse011530 1 28 1 4.0183 bmse011530 1 29 1 4.0075 bmse011530 1 30 1 2.0477 bmse011530 1 31 1 2.0375 bmse011530 1 32 1 2.0351 bmse011530 1 33 1 2.0252 bmse011530 1 34 1 2.0149 bmse011530 1 35 1 2.0063 bmse011530 1 36 1 2.0037 bmse011530 1 37 1 1.9938 bmse011530 1 38 1 8.1154 bmse011530 1 39 1 8.1171 bmse011530 1 40 1 3.9208 bmse011530 1 41 1 3.9092 bmse011530 1 42 1 3.8977 bmse011530 1 43 1 3.8957 bmse011530 1 44 1 3.8843 bmse011530 1 45 1 7.5368 bmse011530 1 46 1 7.5505 bmse011530 1 47 1 2.5967 bmse011530 1 48 1 2.5998 bmse011530 1 49 1 2.6029 bmse011530 1 50 1 2.6060 bmse011530 1 51 1 2.6091 bmse011530 1 stop_ save_