######################### # 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 bmse011634 _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 bmse011634 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 bmse011634 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011634 1 2 bmse011634 1 5 bmse011634 1 6 bmse011634 1 8 bmse011634 1 9 bmse011634 1 10 bmse011634 1 12 bmse011634 1 13 bmse011634 1 14 bmse011634 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 2.6029 DMSO bmse011634 1 2 1 0.3971 6,7_ddd_Q2 bmse011634 1 3 1 7.0940 10_s bmse011634 1 4 1 3.1453 14_dd bmse011634 1 5 1 2.9538 17_t bmse011634 1 6 1 6.7146 13_d_Q3 bmse011634 1 7 1 6.9113 15_dd bmse011634 1 8 1 0.8998 5_m bmse011634 1 9 1 0.1054 6,7_m_Q1 bmse011634 1 10 1 4.6500 SUP bmse011634 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 1.8156 bmse011634 1 2 2 1 8.0604 bmse011634 1 3 2 1 5.8596 bmse011634 1 4 2 1 4.3190 bmse011634 1 5 3 1 0.0000 bmse011634 1 6 4 1 8.4180 bmse011634 1 7 4 1 8.4180 bmse011634 1 8 5 1 6.2722 bmse011634 1 9 6 1 8.3630 bmse011634 1 10 7 1 8.3080 bmse011634 1 11 7 1 1.9257 bmse011634 1 12 8 1 3.4552 bmse011634 1 13 9 1 4.9518 bmse011634 1 14 10 1 0.0000 bmse011634 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011634 1 2 bmse011634 1 3 bmse011634 1 4 bmse011634 1 5 bmse011634 1 6 bmse011634 1 7 bmse011634 1 8 bmse011634 1 9 bmse011634 1 10 bmse011634 1 11 bmse011634 1 12 bmse011634 1 13 bmse011634 1 14 bmse011634 1 15 bmse011634 1 16 bmse011634 1 17 bmse011634 1 18 bmse011634 1 19 bmse011634 1 20 bmse011634 1 21 bmse011634 1 22 bmse011634 1 23 bmse011634 1 24 bmse011634 1 25 bmse011634 1 26 bmse011634 1 27 bmse011634 1 28 bmse011634 1 29 bmse011634 1 30 bmse011634 1 31 bmse011634 1 32 bmse011634 1 33 bmse011634 1 34 bmse011634 1 35 bmse011634 1 36 bmse011634 1 37 bmse011634 1 38 bmse011634 1 39 bmse011634 1 40 bmse011634 1 41 bmse011634 1 42 bmse011634 1 43 bmse011634 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 2.5968 bmse011634 1 2 1 2.5998 bmse011634 1 3 1 2.6029 bmse011634 1 4 1 2.6060 bmse011634 1 5 1 2.6089 bmse011634 1 6 1 0.4123 bmse011634 1 7 1 0.4051 bmse011634 1 8 1 0.4025 bmse011634 1 9 1 0.3954 bmse011634 1 10 1 0.3991 bmse011634 1 11 1 0.3915 bmse011634 1 12 1 0.3890 bmse011634 1 13 1 0.3820 bmse011634 1 14 1 7.0940 bmse011634 1 15 1 3.1594 bmse011634 1 16 1 3.1454 bmse011634 1 17 1 3.1454 bmse011634 1 18 1 3.1313 bmse011634 1 19 1 2.9434 bmse011634 1 20 1 2.9540 bmse011634 1 21 1 2.9643 bmse011634 1 22 1 6.7077 bmse011634 1 23 1 6.7216 bmse011634 1 24 1 6.9198 bmse011634 1 25 1 6.9167 bmse011634 1 26 1 6.9060 bmse011634 1 27 1 6.9027 bmse011634 1 28 1 0.9286 bmse011634 1 29 1 0.9168 bmse011634 1 30 1 0.9156 bmse011634 1 31 1 0.9123 bmse011634 1 32 1 0.9095 bmse011634 1 33 1 0.9040 bmse011634 1 34 1 0.8958 bmse011634 1 35 1 0.8923 bmse011634 1 36 1 0.8824 bmse011634 1 37 1 0.8792 bmse011634 1 38 1 0.8710 bmse011634 1 39 1 0.1178 bmse011634 1 40 1 0.1101 bmse011634 1 41 1 0.1006 bmse011634 1 42 1 0.0931 bmse011634 1 43 1 4.6500 bmse011634 1 stop_ save_