######################### # 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 bmse011452 _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 bmse011452 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 bmse011452 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011452 1 4 bmse011452 1 5 bmse011452 1 6 bmse011452 1 7 bmse011452 1 9 bmse011452 1 10 bmse011452 1 11 bmse011452 1 12 bmse011452 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 1.5245 10,11_ddd bmse011452 1 2 1 3.6024 12_m_Q3 bmse011452 1 3 1 4.6500 SUP bmse011452 1 4 1 2.6033 DMSO bmse011452 1 5 1 1.8630 10,11_dd_Q1 bmse011452 1 6 1 3.0968 6,7_q bmse011452 1 7 1 2.8555 6,7_m_Q2 bmse011452 1 8 1 1.2335 14_t bmse011452 1 9 1 2.2158 8_m bmse011452 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 25.0615 bmse011452 1 2 1 1 12.0768 bmse011452 1 3 1 1 4.0439 bmse011452 1 4 2 1 3.6753 bmse011452 1 5 3 1 0.0000 bmse011452 1 6 4 1 1.9807 bmse011452 1 7 5 1 13.8099 bmse011452 1 8 5 1 2.8060 bmse011452 1 9 6 1 7.4093 bmse011452 1 10 7 1 5.3699 bmse011452 1 11 8 1 7.3726 bmse011452 1 12 9 1 3.8514 bmse011452 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011452 1 2 bmse011452 1 3 bmse011452 1 4 bmse011452 1 5 bmse011452 1 6 bmse011452 1 7 bmse011452 1 8 bmse011452 1 9 bmse011452 1 10 bmse011452 1 11 bmse011452 1 12 bmse011452 1 13 bmse011452 1 14 bmse011452 1 15 bmse011452 1 16 bmse011452 1 17 bmse011452 1 18 bmse011452 1 19 bmse011452 1 20 bmse011452 1 21 bmse011452 1 22 bmse011452 1 23 bmse011452 1 24 bmse011452 1 25 bmse011452 1 26 bmse011452 1 27 bmse011452 1 28 bmse011452 1 29 bmse011452 1 30 bmse011452 1 31 bmse011452 1 32 bmse011452 1 33 bmse011452 1 34 bmse011452 1 35 bmse011452 1 36 bmse011452 1 37 bmse011452 1 38 bmse011452 1 39 bmse011452 1 40 bmse011452 1 41 bmse011452 1 42 bmse011452 1 43 bmse011452 1 44 bmse011452 1 45 bmse011452 1 46 bmse011452 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 1.5589 bmse011452 1 2 1 1.5521 bmse011452 1 3 1 1.5387 bmse011452 1 4 1 1.5321 bmse011452 1 5 1 1.5171 bmse011452 1 6 1 1.5105 bmse011452 1 7 1 1.4971 bmse011452 1 8 1 1.4902 bmse011452 1 9 1 3.6177 bmse011452 1 10 1 3.6128 bmse011452 1 11 1 3.6078 bmse011452 1 12 1 3.5970 bmse011452 1 13 1 3.5921 bmse011452 1 14 1 3.5871 bmse011452 1 15 1 4.6500 bmse011452 1 16 1 2.5967 bmse011452 1 17 1 2.6003 bmse011452 1 18 1 2.6033 bmse011452 1 19 1 2.6060 bmse011452 1 20 1 2.6099 bmse011452 1 21 1 1.8768 bmse011452 1 22 1 1.8721 bmse011452 1 23 1 1.8537 bmse011452 1 24 1 1.8492 bmse011452 1 25 1 3.0783 bmse011452 1 26 1 3.0906 bmse011452 1 27 1 3.1031 bmse011452 1 28 1 3.1153 bmse011452 1 29 1 2.8779 bmse011452 1 30 1 2.8737 bmse011452 1 31 1 2.8576 bmse011452 1 32 1 2.8535 bmse011452 1 33 1 2.8374 bmse011452 1 34 1 2.8332 bmse011452 1 35 1 1.2212 bmse011452 1 36 1 1.2335 bmse011452 1 37 1 1.2458 bmse011452 1 38 1 2.2415 bmse011452 1 39 1 2.2351 bmse011452 1 40 1 2.2287 bmse011452 1 41 1 2.2219 bmse011452 1 42 1 2.2157 bmse011452 1 43 1 2.2094 bmse011452 1 44 1 2.2026 bmse011452 1 45 1 2.1964 bmse011452 1 46 1 2.1902 bmse011452 1 stop_ save_