######################### # 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 bmse011536 _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 bmse011536 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 bmse011536 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011536 1 2 bmse011536 1 3 bmse011536 1 4 bmse011536 1 5 bmse011536 1 7 bmse011536 1 9 bmse011536 1 10 bmse011536 1 12 bmse011536 1 13 bmse011536 1 16 bmse011536 1 17 bmse011536 1 18 bmse011536 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 1.6556 10_m bmse011536 1 2 1 2.1039 6_m bmse011536 1 3 1 8.4705 11_d bmse011536 1 4 1 7.3111 9_m_Q3 bmse011536 1 5 1 3.6680 7_dd_Q2 bmse011536 1 6 1 7.4468 14_dd bmse011536 1 7 1 2.7006 13_s_Q1 bmse011536 1 8 1 4.0044 5_dd bmse011536 1 9 1 3.3761 7,8_m bmse011536 1 10 1 3.5836 5_ddd bmse011536 1 11 1 4.6500 SUP bmse011536 1 12 1 1.7940 10,12_m bmse011536 1 13 1 2.6028 DMSO bmse011536 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 4.0027 bmse011536 1 2 2 1 4.2365 bmse011536 1 3 3 1 4.6217 bmse011536 1 4 4 1 4.6217 bmse011536 1 5 5 1 13.6449 bmse011536 1 6 5 1 7.3726 bmse011536 1 7 6 1 9.2433 bmse011536 1 8 6 1 4.5116 bmse011536 1 9 7 1 0.0000 bmse011536 1 10 8 1 13.4248 bmse011536 1 11 8 1 3.0811 bmse011536 1 12 9 1 94.4599 bmse011536 1 13 10 1 13.0122 bmse011536 1 14 10 1 6.3548 bmse011536 1 15 10 1 3.7688 bmse011536 1 16 11 1 0.0000 bmse011536 1 17 12 1 75.3661 bmse011536 1 18 13 1 1.9532 bmse011536 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011536 1 2 bmse011536 1 3 bmse011536 1 4 bmse011536 1 5 bmse011536 1 6 bmse011536 1 7 bmse011536 1 8 bmse011536 1 9 bmse011536 1 10 bmse011536 1 11 bmse011536 1 12 bmse011536 1 13 bmse011536 1 14 bmse011536 1 15 bmse011536 1 16 bmse011536 1 17 bmse011536 1 18 bmse011536 1 19 bmse011536 1 20 bmse011536 1 21 bmse011536 1 22 bmse011536 1 23 bmse011536 1 24 bmse011536 1 25 bmse011536 1 26 bmse011536 1 27 bmse011536 1 28 bmse011536 1 29 bmse011536 1 30 bmse011536 1 31 bmse011536 1 32 bmse011536 1 33 bmse011536 1 34 bmse011536 1 35 bmse011536 1 36 bmse011536 1 37 bmse011536 1 38 bmse011536 1 39 bmse011536 1 40 bmse011536 1 41 bmse011536 1 42 bmse011536 1 43 bmse011536 1 44 bmse011536 1 45 bmse011536 1 46 bmse011536 1 47 bmse011536 1 48 bmse011536 1 49 bmse011536 1 50 bmse011536 1 51 bmse011536 1 52 bmse011536 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 1.6823 bmse011536 1 2 1 1.6733 bmse011536 1 3 1 1.6671 bmse011536 1 4 1 1.6596 bmse011536 1 5 1 1.6513 bmse011536 1 6 1 1.6460 bmse011536 1 7 1 1.6442 bmse011536 1 8 1 1.6372 bmse011536 1 9 1 1.6290 bmse011536 1 10 1 2.1251 bmse011536 1 11 1 2.1207 bmse011536 1 12 1 2.1137 bmse011536 1 13 1 2.1060 bmse011536 1 14 1 2.0980 bmse011536 1 15 1 2.0910 bmse011536 1 16 1 2.0827 bmse011536 1 17 1 8.4667 bmse011536 1 18 1 8.4744 bmse011536 1 19 1 7.3188 bmse011536 1 20 1 7.3178 bmse011536 1 21 1 7.3034 bmse011536 1 22 1 3.6856 bmse011536 1 23 1 3.6733 bmse011536 1 24 1 3.6628 bmse011536 1 25 1 3.6505 bmse011536 1 26 1 7.4583 bmse011536 1 27 1 7.4508 bmse011536 1 28 1 7.4429 bmse011536 1 29 1 7.4354 bmse011536 1 30 1 2.7006 bmse011536 1 31 1 4.0181 bmse011536 1 32 1 4.0128 bmse011536 1 33 1 3.9956 bmse011536 1 34 1 3.9906 bmse011536 1 35 1 3.4548 bmse011536 1 36 1 3.2974 bmse011536 1 37 1 3.6029 bmse011536 1 38 1 3.5968 bmse011536 1 39 1 3.5919 bmse011536 1 40 1 3.5858 bmse011536 1 41 1 3.5811 bmse011536 1 42 1 3.5744 bmse011536 1 43 1 3.5708 bmse011536 1 44 1 3.5644 bmse011536 1 45 1 4.6500 bmse011536 1 46 1 1.8568 bmse011536 1 47 1 1.7312 bmse011536 1 48 1 2.5963 bmse011536 1 49 1 2.5998 bmse011536 1 50 1 2.6029 bmse011536 1 51 1 2.6058 bmse011536 1 52 1 2.6093 bmse011536 1 stop_ save_