######################### # 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 bmse011696 _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 bmse011696 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 bmse011696 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011696 1 2 bmse011696 1 3 bmse011696 1 4 bmse011696 1 5 bmse011696 1 6 bmse011696 1 7 bmse011696 1 8 bmse011696 1 9 bmse011696 1 10 bmse011696 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 bmse011696 1 2 1 3.5053 5_s_Q3 bmse011696 1 3 1 3.3888 7_m bmse011696 1 4 1 7.2955 12,13,16_m bmse011696 1 5 1 1.4425 17_m_Q2 bmse011696 1 6 1 1.1589 10,11_m_Q1 bmse011696 1 7 1 7.3865 8,9_d bmse011696 1 8 1 0.9759 10,11,17_m bmse011696 1 9 1 1.5195 14,15_m bmse011696 1 10 1 2.6028 DMSO bmse011696 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 bmse011696 1 2 2 1 0.0000 bmse011696 1 3 3 1 3.7523 bmse011696 1 4 4 1 53.7036 bmse011696 1 5 5 1 4.9518 bmse011696 1 6 6 1 5.2966 bmse011696 1 7 7 1 7.3726 bmse011696 1 8 8 1 110.7899 bmse011696 1 9 9 1 4.1375 bmse011696 1 10 10 1 1.9532 bmse011696 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011696 1 2 bmse011696 1 3 bmse011696 1 4 bmse011696 1 5 bmse011696 1 6 bmse011696 1 7 bmse011696 1 8 bmse011696 1 9 bmse011696 1 10 bmse011696 1 11 bmse011696 1 12 bmse011696 1 13 bmse011696 1 14 bmse011696 1 15 bmse011696 1 16 bmse011696 1 17 bmse011696 1 18 bmse011696 1 19 bmse011696 1 20 bmse011696 1 21 bmse011696 1 22 bmse011696 1 23 bmse011696 1 24 bmse011696 1 25 bmse011696 1 26 bmse011696 1 27 bmse011696 1 28 bmse011696 1 29 bmse011696 1 30 bmse011696 1 31 bmse011696 1 32 bmse011696 1 33 bmse011696 1 34 bmse011696 1 35 bmse011696 1 36 bmse011696 1 37 bmse011696 1 38 bmse011696 1 39 bmse011696 1 40 bmse011696 1 41 bmse011696 1 42 bmse011696 1 43 bmse011696 1 44 bmse011696 1 45 bmse011696 1 46 bmse011696 1 47 bmse011696 1 48 bmse011696 1 49 bmse011696 1 50 bmse011696 1 51 bmse011696 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 bmse011696 1 2 1 3.5053 bmse011696 1 3 1 3.4201 bmse011696 1 4 1 3.4138 bmse011696 1 5 1 3.4069 bmse011696 1 6 1 3.4010 bmse011696 1 7 1 3.3957 bmse011696 1 8 1 3.3891 bmse011696 1 9 1 3.3823 bmse011696 1 10 1 3.3770 bmse011696 1 11 1 3.3708 bmse011696 1 12 1 3.3640 bmse011696 1 13 1 3.3576 bmse011696 1 14 1 7.3402 bmse011696 1 15 1 7.2507 bmse011696 1 16 1 1.4590 bmse011696 1 17 1 1.4535 bmse011696 1 18 1 1.4379 bmse011696 1 19 1 1.4311 bmse011696 1 20 1 1.4260 bmse011696 1 21 1 1.2250 bmse011696 1 22 1 1.2133 bmse011696 1 23 1 1.1818 bmse011696 1 24 1 1.1765 bmse011696 1 25 1 1.1704 bmse011696 1 26 1 1.1563 bmse011696 1 27 1 1.1510 bmse011696 1 28 1 1.1506 bmse011696 1 29 1 1.1396 bmse011696 1 30 1 1.1392 bmse011696 1 31 1 1.1358 bmse011696 1 32 1 1.1345 bmse011696 1 33 1 1.1202 bmse011696 1 34 1 1.1130 bmse011696 1 35 1 1.1062 bmse011696 1 36 1 1.0927 bmse011696 1 37 1 7.3804 bmse011696 1 38 1 7.3927 bmse011696 1 39 1 1.0682 bmse011696 1 40 1 0.8836 bmse011696 1 41 1 1.5367 bmse011696 1 42 1 1.5301 bmse011696 1 43 1 1.5221 bmse011696 1 44 1 1.5151 bmse011696 1 45 1 1.5072 bmse011696 1 46 1 1.5023 bmse011696 1 47 1 2.5963 bmse011696 1 48 1 2.5998 bmse011696 1 49 1 2.6027 bmse011696 1 50 1 2.6058 bmse011696 1 51 1 2.6093 bmse011696 1 stop_ save_