######################### # 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 bmse011661 _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 bmse011661 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 bmse011661 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011661 1 2 bmse011661 1 3 bmse011661 1 4 bmse011661 1 5 bmse011661 1 6 bmse011661 1 7 bmse011661 1 8 bmse011661 1 9 bmse011661 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 3.0295 8_m_Q2 bmse011661 1 2 1 4.6500 SUP bmse011661 1 3 1 3.4007 5_m bmse011661 1 4 1 3.6383 6_m bmse011661 1 5 1 1.8316 9,10_m bmse011661 1 6 1 2.0419 11_s_Q1 bmse011661 1 7 1 3.3221 5_m bmse011661 1 8 1 3.7033 6_m bmse011661 1 9 1 2.6029 DMSO bmse011661 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 4.1265 bmse011661 1 2 2 1 0.0000 bmse011661 1 3 3 1 3.7256 bmse011661 1 4 4 1 3.5213 bmse011661 1 5 5 1 185.1194 bmse011661 1 6 6 1 0.0000 bmse011661 1 7 7 1 3.7256 bmse011661 1 8 8 1 3.5370 bmse011661 1 9 9 1 1.8707 bmse011661 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011661 1 2 bmse011661 1 3 bmse011661 1 4 bmse011661 1 5 bmse011661 1 6 bmse011661 1 7 bmse011661 1 8 bmse011661 1 9 bmse011661 1 10 bmse011661 1 11 bmse011661 1 12 bmse011661 1 13 bmse011661 1 14 bmse011661 1 15 bmse011661 1 16 bmse011661 1 17 bmse011661 1 18 bmse011661 1 19 bmse011661 1 20 bmse011661 1 21 bmse011661 1 22 bmse011661 1 23 bmse011661 1 24 bmse011661 1 25 bmse011661 1 26 bmse011661 1 27 bmse011661 1 28 bmse011661 1 29 bmse011661 1 30 bmse011661 1 31 bmse011661 1 32 bmse011661 1 33 bmse011661 1 34 bmse011661 1 35 bmse011661 1 36 bmse011661 1 37 bmse011661 1 38 bmse011661 1 39 bmse011661 1 40 bmse011661 1 41 bmse011661 1 42 bmse011661 1 43 bmse011661 1 44 bmse011661 1 45 bmse011661 1 46 bmse011661 1 47 bmse011661 1 48 bmse011661 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 3.0501 bmse011661 1 2 1 3.0429 bmse011661 1 3 1 3.0361 bmse011661 1 4 1 3.0294 bmse011661 1 5 1 3.0226 bmse011661 1 6 1 3.0158 bmse011661 1 7 1 3.0088 bmse011661 1 8 1 4.6500 bmse011661 1 9 1 3.4225 bmse011661 1 10 1 3.4168 bmse011661 1 11 1 3.4083 bmse011661 1 12 1 3.4025 bmse011661 1 13 1 3.3992 bmse011661 1 14 1 3.3933 bmse011661 1 15 1 3.3849 bmse011661 1 16 1 3.3790 bmse011661 1 17 1 3.6588 bmse011661 1 18 1 3.6527 bmse011661 1 19 1 3.6469 bmse011661 1 20 1 3.6405 bmse011661 1 21 1 3.6357 bmse011661 1 22 1 3.6295 bmse011661 1 23 1 3.6238 bmse011661 1 24 1 3.6177 bmse011661 1 25 1 1.9858 bmse011661 1 26 1 1.6774 bmse011661 1 27 1 2.0419 bmse011661 1 28 1 3.3438 bmse011661 1 29 1 3.3379 bmse011661 1 30 1 3.3295 bmse011661 1 31 1 3.3233 bmse011661 1 32 1 3.3211 bmse011661 1 33 1 3.3146 bmse011661 1 34 1 3.3064 bmse011661 1 35 1 3.3003 bmse011661 1 36 1 3.7239 bmse011661 1 37 1 3.7176 bmse011661 1 38 1 3.7121 bmse011661 1 39 1 3.7057 bmse011661 1 40 1 3.7008 bmse011661 1 41 1 3.6945 bmse011661 1 42 1 3.6889 bmse011661 1 43 1 3.6826 bmse011661 1 44 1 2.5967 bmse011661 1 45 1 2.5998 bmse011661 1 46 1 2.6029 bmse011661 1 47 1 2.6060 bmse011661 1 48 1 2.6091 bmse011661 1 stop_ save_