######################### # 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 bmse011542 _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 bmse011542 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 bmse011542 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011542 1 2 bmse011542 1 3 bmse011542 1 4 bmse011542 1 5 bmse011542 1 8 bmse011542 1 9 bmse011542 1 11 bmse011542 1 12 bmse011542 1 13 bmse011542 1 14 bmse011542 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 8.5235 10_d bmse011542 1 2 1 2.6022 DMSO bmse011542 1 3 1 8.5687 8_d bmse011542 1 4 1 4.6500 SUP bmse011542 1 5 1 0.6668 4_ddd_Q2 bmse011542 1 6 1 0.5425 4_m_Q1 bmse011542 1 7 1 7.4946 12_dd bmse011542 1 8 1 0.7579 3_m bmse011542 1 9 1 1.6488 11_d bmse011542 1 10 1 7.9366 9_d bmse011542 1 11 1 2.4728 2_m_Q3 bmse011542 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 4.8417 bmse011542 1 2 2 1 0.0000 bmse011542 1 3 3 1 1.6506 bmse011542 1 4 4 1 0.0000 bmse011542 1 5 5 1 13.6999 bmse011542 1 6 5 1 9.9035 bmse011542 1 7 5 1 6.8224 bmse011542 1 8 6 1 2.7840 bmse011542 1 9 7 1 7.9779 bmse011542 1 10 7 1 5.0068 bmse011542 1 11 8 1 66.0292 bmse011542 1 12 9 1 6.8224 bmse011542 1 13 10 1 8.1429 bmse011542 1 14 11 1 3.7230 bmse011542 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011542 1 2 bmse011542 1 3 bmse011542 1 4 bmse011542 1 5 bmse011542 1 6 bmse011542 1 7 bmse011542 1 8 bmse011542 1 9 bmse011542 1 10 bmse011542 1 11 bmse011542 1 12 bmse011542 1 13 bmse011542 1 14 bmse011542 1 15 bmse011542 1 16 bmse011542 1 17 bmse011542 1 18 bmse011542 1 19 bmse011542 1 20 bmse011542 1 21 bmse011542 1 22 bmse011542 1 23 bmse011542 1 24 bmse011542 1 25 bmse011542 1 26 bmse011542 1 27 bmse011542 1 28 bmse011542 1 29 bmse011542 1 30 bmse011542 1 31 bmse011542 1 32 bmse011542 1 33 bmse011542 1 34 bmse011542 1 35 bmse011542 1 36 bmse011542 1 37 bmse011542 1 38 bmse011542 1 39 bmse011542 1 40 bmse011542 1 41 bmse011542 1 42 bmse011542 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 8.5195 bmse011542 1 2 1 8.5276 bmse011542 1 3 1 2.6022 bmse011542 1 4 1 8.5674 bmse011542 1 5 1 8.5701 bmse011542 1 6 1 4.6500 bmse011542 1 7 1 0.6922 bmse011542 1 8 1 0.6812 bmse011542 1 9 1 0.6757 bmse011542 1 10 1 0.6649 bmse011542 1 11 1 0.6699 bmse011542 1 12 1 0.6581 bmse011542 1 13 1 0.6534 bmse011542 1 14 1 0.6414 bmse011542 1 15 1 0.5657 bmse011542 1 16 1 0.5654 bmse011542 1 17 1 0.5591 bmse011542 1 18 1 0.5547 bmse011542 1 19 1 0.5481 bmse011542 1 20 1 0.5428 bmse011542 1 21 1 0.5371 bmse011542 1 22 1 0.5307 bmse011542 1 23 1 0.5259 bmse011542 1 24 1 0.5252 bmse011542 1 25 1 0.5193 bmse011542 1 26 1 7.5054 bmse011542 1 27 1 7.4970 bmse011542 1 28 1 7.4920 bmse011542 1 29 1 7.4838 bmse011542 1 30 1 0.8129 bmse011542 1 31 1 0.7029 bmse011542 1 32 1 1.6431 bmse011542 1 33 1 1.6544 bmse011542 1 34 1 7.9299 bmse011542 1 35 1 7.9434 bmse011542 1 36 1 2.4914 bmse011542 1 37 1 2.4848 bmse011542 1 38 1 2.4791 bmse011542 1 39 1 2.4729 bmse011542 1 40 1 2.4669 bmse011542 1 41 1 2.4608 bmse011542 1 42 1 2.4542 bmse011542 1 stop_ save_