######################### # 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 bmse011364 _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 bmse011364 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 bmse011364 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011364 1 2 bmse011364 1 3 bmse011364 1 4 bmse011364 1 5 bmse011364 1 6 bmse011364 1 7 bmse011364 1 8 bmse011364 1 9 bmse011364 1 10 bmse011364 1 11 bmse011364 1 12 bmse011364 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 1.8038 13,14_m_Q2 bmse011364 1 2 1 2.9036 5,6_m bmse011364 1 3 1 4.6500 SUP bmse011364 1 4 1 0.9057 17_d bmse011364 1 5 1 3.4868 5,6_d bmse011364 1 6 1 2.6032 DMSO bmse011364 1 7 1 1.1034 18_t bmse011364 1 8 1 1.5597 15_m_Q1 bmse011364 1 9 1 7.2029 8,9_d_Q3 bmse011364 1 10 1 7.3629 11,12_m bmse011364 1 11 1 1.3441 13,14_m bmse011364 1 12 1 2.3427 16_q bmse011364 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 7.5377 bmse011364 1 2 2 1 5.3259 bmse011364 1 3 3 1 0.0000 bmse011364 1 4 4 1 6.6024 bmse011364 1 5 5 1 12.3244 bmse011364 1 6 6 1 1.8432 bmse011364 1 7 7 1 7.6477 bmse011364 1 8 8 1 3.9736 bmse011364 1 9 9 1 8.8031 bmse011364 1 10 10 1 8.8031 bmse011364 1 11 11 1 7.0242 bmse011364 1 12 12 1 7.7028 bmse011364 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011364 1 2 bmse011364 1 3 bmse011364 1 4 bmse011364 1 5 bmse011364 1 6 bmse011364 1 7 bmse011364 1 8 bmse011364 1 9 bmse011364 1 10 bmse011364 1 11 bmse011364 1 12 bmse011364 1 13 bmse011364 1 14 bmse011364 1 15 bmse011364 1 16 bmse011364 1 17 bmse011364 1 18 bmse011364 1 19 bmse011364 1 20 bmse011364 1 21 bmse011364 1 22 bmse011364 1 23 bmse011364 1 24 bmse011364 1 25 bmse011364 1 26 bmse011364 1 27 bmse011364 1 28 bmse011364 1 29 bmse011364 1 30 bmse011364 1 31 bmse011364 1 32 bmse011364 1 33 bmse011364 1 34 bmse011364 1 35 bmse011364 1 36 bmse011364 1 37 bmse011364 1 38 bmse011364 1 39 bmse011364 1 40 bmse011364 1 41 bmse011364 1 42 bmse011364 1 43 bmse011364 1 44 bmse011364 1 45 bmse011364 1 46 bmse011364 1 47 bmse011364 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 1.8163 bmse011364 1 2 1 1.8151 bmse011364 1 3 1 1.7912 bmse011364 1 4 1 2.9258 bmse011364 1 5 1 2.9225 bmse011364 1 6 1 2.9051 bmse011364 1 7 1 2.9017 bmse011364 1 8 1 2.8847 bmse011364 1 9 1 2.8814 bmse011364 1 10 1 4.6500 bmse011364 1 11 1 0.9002 bmse011364 1 12 1 0.9112 bmse011364 1 13 1 3.4765 bmse011364 1 14 1 3.4971 bmse011364 1 15 1 2.5970 bmse011364 1 16 1 2.6000 bmse011364 1 17 1 2.6031 bmse011364 1 18 1 2.6062 bmse011364 1 19 1 2.6093 bmse011364 1 20 1 1.0906 bmse011364 1 21 1 1.1035 bmse011364 1 22 1 1.1161 bmse011364 1 23 1 1.5895 bmse011364 1 24 1 1.5826 bmse011364 1 25 1 1.5773 bmse011364 1 26 1 1.5708 bmse011364 1 27 1 1.5659 bmse011364 1 28 1 1.5600 bmse011364 1 29 1 1.5474 bmse011364 1 30 1 1.5413 bmse011364 1 31 1 1.5347 bmse011364 1 32 1 1.5299 bmse011364 1 33 1 7.1956 bmse011364 1 34 1 7.2102 bmse011364 1 35 1 7.3703 bmse011364 1 36 1 7.3556 bmse011364 1 37 1 1.3792 bmse011364 1 38 1 1.3726 bmse011364 1 39 1 1.3525 bmse011364 1 40 1 1.3336 bmse011364 1 41 1 1.3299 bmse011364 1 42 1 1.3158 bmse011364 1 43 1 1.3090 bmse011364 1 44 1 2.3235 bmse011364 1 45 1 2.3363 bmse011364 1 46 1 2.3491 bmse011364 1 47 1 2.3620 bmse011364 1 stop_ save_