######################### # 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 bmse011035 _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 bmse011035 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 bmse011035 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011035 1 2 bmse011035 1 3 bmse011035 1 5 bmse011035 1 7 bmse011035 1 9 bmse011035 1 10 bmse011035 1 11 bmse011035 1 12 bmse011035 1 13 bmse011035 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 1.1312 11_d bmse011035 1 2 1 4.6500 SUP bmse011035 1 3 1 7.3285 7_dd_Q3 bmse011035 1 4 1 0.8500 13_dd bmse011035 1 5 1 6.7645 14_dd_Q1 bmse011035 1 6 1 1.4918 10_m bmse011035 1 7 1 7.2461 12_m bmse011035 1 8 1 3.8563 8_m bmse011035 1 9 1 2.6026 DMSO bmse011035 1 10 1 6.8090 9_d_Q2 bmse011035 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 6.6024 bmse011035 1 2 2 1 0.0000 bmse011035 1 3 3 1 7.7578 bmse011035 1 4 3 1 0.8253 bmse011035 1 5 4 1 7.4277 bmse011035 1 6 4 1 7.4277 bmse011035 1 7 5 1 7.5927 bmse011035 1 8 5 1 7.5927 bmse011035 1 9 6 1 112.0213 bmse011035 1 10 7 1 5.5386 bmse011035 1 11 8 1 7.2351 bmse011035 1 12 9 1 1.9532 bmse011035 1 13 10 1 8.2530 bmse011035 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011035 1 2 bmse011035 1 3 bmse011035 1 4 bmse011035 1 5 bmse011035 1 6 bmse011035 1 7 bmse011035 1 8 bmse011035 1 9 bmse011035 1 10 bmse011035 1 11 bmse011035 1 12 bmse011035 1 13 bmse011035 1 14 bmse011035 1 15 bmse011035 1 16 bmse011035 1 17 bmse011035 1 18 bmse011035 1 19 bmse011035 1 20 bmse011035 1 21 bmse011035 1 22 bmse011035 1 23 bmse011035 1 24 bmse011035 1 25 bmse011035 1 26 bmse011035 1 27 bmse011035 1 28 bmse011035 1 29 bmse011035 1 30 bmse011035 1 31 bmse011035 1 32 bmse011035 1 33 bmse011035 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 1.1257 bmse011035 1 2 1 1.1367 bmse011035 1 3 1 4.6500 bmse011035 1 4 1 7.3356 bmse011035 1 5 1 7.3342 bmse011035 1 6 1 7.3226 bmse011035 1 7 1 7.3213 bmse011035 1 8 1 0.8624 bmse011035 1 9 1 0.8499 bmse011035 1 10 1 0.8499 bmse011035 1 11 1 0.8376 bmse011035 1 12 1 6.7772 bmse011035 1 13 1 6.7643 bmse011035 1 14 1 6.7643 bmse011035 1 15 1 6.7519 bmse011035 1 16 1 1.5851 bmse011035 1 17 1 1.3985 bmse011035 1 18 1 7.2599 bmse011035 1 19 1 7.2462 bmse011035 1 20 1 7.2341 bmse011035 1 21 1 7.2322 bmse011035 1 22 1 3.8805 bmse011035 1 23 1 3.8673 bmse011035 1 24 1 3.8564 bmse011035 1 25 1 3.8456 bmse011035 1 26 1 3.8322 bmse011035 1 27 1 2.5961 bmse011035 1 28 1 2.5998 bmse011035 1 29 1 2.6027 bmse011035 1 30 1 2.6055 bmse011035 1 31 1 2.6091 bmse011035 1 32 1 6.8021 bmse011035 1 33 1 6.8158 bmse011035 1 stop_ save_