######################### # 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 bmse011248 _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 bmse011248 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 bmse011248 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011248 1 2 bmse011248 1 3 bmse011248 1 4 bmse011248 1 5 bmse011248 1 6 bmse011248 1 7 bmse011248 1 8 bmse011248 1 9 bmse011248 1 10 bmse011248 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 4.6500 SUP bmse011248 1 2 1 1.7819 14,15_m_Q2 bmse011248 1 3 1 7.8147 5_s_Q3 bmse011248 1 4 1 1.9509 13_m bmse011248 1 5 1 2.4658 12_m bmse011248 1 6 1 3.2516 9_m bmse011248 1 7 1 2.6030 DMSO bmse011248 1 8 1 3.7310 11_s bmse011248 1 9 1 1.6204 14,15_m_Q1 bmse011248 1 10 1 2.2661 10_s bmse011248 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 0.0000 bmse011248 1 2 2 1 4.7617 bmse011248 1 3 3 1 0.0000 bmse011248 1 4 4 1 65.7812 bmse011248 1 5 5 1 7.6752 bmse011248 1 6 6 1 7.3360 bmse011248 1 7 7 1 1.9532 bmse011248 1 8 8 1 0.0000 bmse011248 1 9 9 1 7.4607 bmse011248 1 10 10 1 0.0000 bmse011248 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011248 1 2 bmse011248 1 3 bmse011248 1 4 bmse011248 1 5 bmse011248 1 6 bmse011248 1 7 bmse011248 1 8 bmse011248 1 9 bmse011248 1 10 bmse011248 1 11 bmse011248 1 12 bmse011248 1 13 bmse011248 1 14 bmse011248 1 15 bmse011248 1 16 bmse011248 1 17 bmse011248 1 18 bmse011248 1 19 bmse011248 1 20 bmse011248 1 21 bmse011248 1 22 bmse011248 1 23 bmse011248 1 24 bmse011248 1 25 bmse011248 1 26 bmse011248 1 27 bmse011248 1 28 bmse011248 1 29 bmse011248 1 30 bmse011248 1 31 bmse011248 1 32 bmse011248 1 33 bmse011248 1 34 bmse011248 1 35 bmse011248 1 36 bmse011248 1 37 bmse011248 1 38 bmse011248 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 4.6500 bmse011248 1 2 1 1.8255 bmse011248 1 3 1 1.8114 bmse011248 1 4 1 1.8074 bmse011248 1 5 1 1.7934 bmse011248 1 6 1 1.7791 bmse011248 1 7 1 1.7707 bmse011248 1 8 1 1.7644 bmse011248 1 9 1 1.7566 bmse011248 1 10 1 1.7494 bmse011248 1 11 1 1.7456 bmse011248 1 12 1 1.7424 bmse011248 1 13 1 1.7382 bmse011248 1 14 1 7.8147 bmse011248 1 15 1 2.0057 bmse011248 1 16 1 1.8961 bmse011248 1 17 1 2.4914 bmse011248 1 18 1 2.4786 bmse011248 1 19 1 2.4658 bmse011248 1 20 1 2.4531 bmse011248 1 21 1 2.4403 bmse011248 1 22 1 3.2699 bmse011248 1 23 1 3.2551 bmse011248 1 24 1 3.2444 bmse011248 1 25 1 3.2332 bmse011248 1 26 1 2.5965 bmse011248 1 27 1 2.6000 bmse011248 1 28 1 2.6031 bmse011248 1 29 1 2.6060 bmse011248 1 30 1 2.6095 bmse011248 1 31 1 3.7310 bmse011248 1 32 1 1.6515 bmse011248 1 33 1 1.6368 bmse011248 1 34 1 1.6229 bmse011248 1 35 1 1.6181 bmse011248 1 36 1 1.6037 bmse011248 1 37 1 1.5894 bmse011248 1 38 1 2.2661 bmse011248 1 stop_ save_