######################### # 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 bmse011535 _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 bmse011535 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 bmse011535 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011535 1 3 bmse011535 1 4 bmse011535 1 5 bmse011535 1 6 bmse011535 1 7 bmse011535 1 8 bmse011535 1 9 bmse011535 1 10 bmse011535 1 11 bmse011535 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 3.0935 3_dd_Q2 bmse011535 1 2 1 3.5117 4_quint bmse011535 1 3 1 4.6500 SUP bmse011535 1 4 1 1.4518 7,8,9,11_m bmse011535 1 5 1 1.8642 7,12_m bmse011535 1 6 1 3.7702 6_m_Q3 bmse011535 1 7 1 1.6686 11,12_m bmse011535 1 8 1 2.6023 DMSO bmse011535 1 9 1 2.0297 5,10_m bmse011535 1 10 1 2.9527 3_dd_Q1 bmse011535 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 12.8196 bmse011535 1 2 1 1 3.0261 bmse011535 1 3 2 1 7.4827 bmse011535 1 4 3 1 0.0000 bmse011535 1 5 4 1 183.6239 bmse011535 1 6 5 1 95.9748 bmse011535 1 7 6 1 7.4643 bmse011535 1 8 7 1 71.4970 bmse011535 1 9 8 1 1.8982 bmse011535 1 10 9 1 98.6723 bmse011535 1 11 10 1 12.7095 bmse011535 1 12 10 1 9.7385 bmse011535 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011535 1 2 bmse011535 1 3 bmse011535 1 4 bmse011535 1 5 bmse011535 1 6 bmse011535 1 7 bmse011535 1 8 bmse011535 1 9 bmse011535 1 10 bmse011535 1 11 bmse011535 1 12 bmse011535 1 13 bmse011535 1 14 bmse011535 1 15 bmse011535 1 16 bmse011535 1 17 bmse011535 1 18 bmse011535 1 19 bmse011535 1 20 bmse011535 1 21 bmse011535 1 22 bmse011535 1 23 bmse011535 1 24 bmse011535 1 25 bmse011535 1 26 bmse011535 1 27 bmse011535 1 28 bmse011535 1 29 bmse011535 1 30 bmse011535 1 31 bmse011535 1 32 bmse011535 1 33 bmse011535 1 34 bmse011535 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 3.1067 bmse011535 1 2 1 3.1018 bmse011535 1 3 1 3.0855 bmse011535 1 4 1 3.0803 bmse011535 1 5 1 3.4868 bmse011535 1 6 1 3.4995 bmse011535 1 7 1 3.5116 bmse011535 1 8 1 3.5240 bmse011535 1 9 1 3.5367 bmse011535 1 10 1 4.6500 bmse011535 1 11 1 1.6047 bmse011535 1 12 1 1.2988 bmse011535 1 13 1 1.9441 bmse011535 1 14 1 1.7842 bmse011535 1 15 1 3.8075 bmse011535 1 16 1 3.7952 bmse011535 1 17 1 3.7820 bmse011535 1 18 1 3.7697 bmse011535 1 19 1 3.7583 bmse011535 1 20 1 3.7464 bmse011535 1 21 1 3.7329 bmse011535 1 22 1 1.7282 bmse011535 1 23 1 1.6091 bmse011535 1 24 1 2.5959 bmse011535 1 25 1 2.5990 bmse011535 1 26 1 2.6023 bmse011535 1 27 1 2.6055 bmse011535 1 28 1 2.6086 bmse011535 1 29 1 2.1119 bmse011535 1 30 1 1.9475 bmse011535 1 31 1 2.9714 bmse011535 1 32 1 2.9553 bmse011535 1 33 1 2.9503 bmse011535 1 34 1 2.9340 bmse011535 1 stop_ save_