######################### # 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 bmse011612 _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 bmse011612 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 bmse011612 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011612 1 2 bmse011612 1 3 bmse011612 1 4 bmse011612 1 5 bmse011612 1 6 bmse011612 1 7 bmse011612 1 9 bmse011612 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 3.6150 m_1H bmse011612 1 2 1 2.6026 DMSO bmse011612 1 3 1 4.6500 SUP bmse011612 1 4 1 2.9172 m_6H bmse011612 1 5 1 3.4332 m_1H bmse011612 1 6 1 1.8566 m_2H_Q1 bmse011612 1 7 1 0.9972 dd_3H bmse011612 1 8 1 2.7197 Imp2 bmse011612 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 2.6209 bmse011612 1 2 2 1 1.9532 bmse011612 1 3 3 1 0.0000 bmse011612 1 4 4 1 6.8224 bmse011612 1 5 5 1 3.5128 bmse011612 1 6 6 1 4.8889 bmse011612 1 7 7 1 12.4344 bmse011612 1 8 7 1 6.8224 bmse011612 1 9 8 1 0.0000 bmse011612 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011612 1 2 bmse011612 1 3 bmse011612 1 4 bmse011612 1 5 bmse011612 1 6 bmse011612 1 7 bmse011612 1 8 bmse011612 1 9 bmse011612 1 10 bmse011612 1 11 bmse011612 1 12 bmse011612 1 13 bmse011612 1 14 bmse011612 1 15 bmse011612 1 16 bmse011612 1 17 bmse011612 1 18 bmse011612 1 19 bmse011612 1 20 bmse011612 1 21 bmse011612 1 22 bmse011612 1 23 bmse011612 1 24 bmse011612 1 25 bmse011612 1 26 bmse011612 1 27 bmse011612 1 28 bmse011612 1 29 bmse011612 1 30 bmse011612 1 31 bmse011612 1 32 bmse011612 1 33 bmse011612 1 34 bmse011612 1 35 bmse011612 1 36 bmse011612 1 37 bmse011612 1 38 bmse011612 1 39 bmse011612 1 40 bmse011612 1 41 bmse011612 1 42 bmse011612 1 43 bmse011612 1 44 bmse011612 1 45 bmse011612 1 46 bmse011612 1 47 bmse011612 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 3.6390 bmse011612 1 2 1 3.6351 bmse011612 1 3 1 3.6313 bmse011612 1 4 1 3.6282 bmse011612 1 5 1 3.6219 bmse011612 1 6 1 3.6185 bmse011612 1 7 1 3.6146 bmse011612 1 8 1 3.6111 bmse011612 1 9 1 3.6075 bmse011612 1 10 1 3.6018 bmse011612 1 11 1 3.5981 bmse011612 1 12 1 3.5910 bmse011612 1 13 1 2.5961 bmse011612 1 14 1 2.5996 bmse011612 1 15 1 2.6027 bmse011612 1 16 1 2.6056 bmse011612 1 17 1 2.6091 bmse011612 1 18 1 4.6500 bmse011612 1 19 1 2.9228 bmse011612 1 20 1 2.9115 bmse011612 1 21 1 3.4712 bmse011612 1 22 1 3.4633 bmse011612 1 23 1 3.4589 bmse011612 1 24 1 3.4542 bmse011612 1 25 1 3.4452 bmse011612 1 26 1 3.4375 bmse011612 1 27 1 3.4256 bmse011612 1 28 1 3.4215 bmse011612 1 29 1 3.4197 bmse011612 1 30 1 3.4159 bmse011612 1 31 1 3.4047 bmse011612 1 32 1 3.4006 bmse011612 1 33 1 3.3990 bmse011612 1 34 1 3.3951 bmse011612 1 35 1 1.8851 bmse011612 1 36 1 1.8776 bmse011612 1 37 1 1.8739 bmse011612 1 38 1 1.8680 bmse011612 1 39 1 1.8609 bmse011612 1 40 1 1.8543 bmse011612 1 41 1 1.8473 bmse011612 1 42 1 1.8281 bmse011612 1 43 1 1.0133 bmse011612 1 44 1 1.0015 bmse011612 1 45 1 0.9922 bmse011612 1 46 1 0.9812 bmse011612 1 47 1 2.7197 bmse011612 1 stop_ save_