######################### # 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 bmse011631 _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 bmse011631 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 bmse011631 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011631 1 2 bmse011631 1 3 bmse011631 1 4 bmse011631 1 5 bmse011631 1 6 bmse011631 1 7 bmse011631 1 8 bmse011631 1 9 bmse011631 1 10 bmse011631 1 11 bmse011631 1 13 bmse011631 1 14 bmse011631 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 2.8363 10_m_Q1 bmse011631 1 2 1 3.1263 8_m bmse011631 1 3 1 1.5694 13_m bmse011631 1 4 1 3.9537 10_m bmse011631 1 5 1 3.2776 9_m bmse011631 1 6 1 4.6500 SUP bmse011631 1 7 1 2.0708 12,15_m bmse011631 1 8 1 7.6720 2_d_Q3 bmse011631 1 9 1 2.6024 DMSO bmse011631 1 10 1 1.6614 13_m bmse011631 1 11 1 7.0782 17_dd_Q2 bmse011631 1 12 1 7.4307 14_d bmse011631 1 13 1 7.1553 16,18_m bmse011631 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 5.6780 bmse011631 1 2 2 1 3.4601 bmse011631 1 3 3 1 6.0364 bmse011631 1 4 4 1 2.8427 bmse011631 1 5 5 1 4.8417 bmse011631 1 6 6 1 0.0000 bmse011631 1 7 7 1 96.8639 bmse011631 1 8 8 1 8.0329 bmse011631 1 9 9 1 1.9532 bmse011631 1 10 10 1 6.0364 bmse011631 1 11 11 1 7.3726 bmse011631 1 12 11 1 7.3726 bmse011631 1 13 12 1 8.0329 bmse011631 1 14 13 1 57.6923 bmse011631 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011631 1 2 bmse011631 1 3 bmse011631 1 4 bmse011631 1 5 bmse011631 1 6 bmse011631 1 7 bmse011631 1 8 bmse011631 1 9 bmse011631 1 10 bmse011631 1 11 bmse011631 1 12 bmse011631 1 13 bmse011631 1 14 bmse011631 1 15 bmse011631 1 16 bmse011631 1 17 bmse011631 1 18 bmse011631 1 19 bmse011631 1 20 bmse011631 1 21 bmse011631 1 22 bmse011631 1 23 bmse011631 1 24 bmse011631 1 25 bmse011631 1 26 bmse011631 1 27 bmse011631 1 28 bmse011631 1 29 bmse011631 1 30 bmse011631 1 31 bmse011631 1 32 bmse011631 1 33 bmse011631 1 34 bmse011631 1 35 bmse011631 1 36 bmse011631 1 37 bmse011631 1 38 bmse011631 1 39 bmse011631 1 40 bmse011631 1 41 bmse011631 1 42 bmse011631 1 43 bmse011631 1 44 bmse011631 1 45 bmse011631 1 46 bmse011631 1 47 bmse011631 1 48 bmse011631 1 49 bmse011631 1 50 bmse011631 1 51 bmse011631 1 52 bmse011631 1 53 bmse011631 1 54 bmse011631 1 55 bmse011631 1 56 bmse011631 1 57 bmse011631 1 58 bmse011631 1 59 bmse011631 1 60 bmse011631 1 61 bmse011631 1 62 bmse011631 1 63 bmse011631 1 64 bmse011631 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 2.8599 bmse011631 1 2 1 2.8557 bmse011631 1 3 1 2.8385 bmse011631 1 4 1 2.8341 bmse011631 1 5 1 2.8170 bmse011631 1 6 1 2.8126 bmse011631 1 7 1 3.1522 bmse011631 1 8 1 3.1460 bmse011631 1 9 1 3.1399 bmse011631 1 10 1 3.1322 bmse011631 1 11 1 3.1262 bmse011631 1 12 1 3.1201 bmse011631 1 13 1 3.1197 bmse011631 1 14 1 3.1126 bmse011631 1 15 1 3.1064 bmse011631 1 16 1 3.1003 bmse011631 1 17 1 1.6046 bmse011631 1 18 1 1.5976 bmse011631 1 19 1 1.5831 bmse011631 1 20 1 1.5765 bmse011631 1 21 1 1.5622 bmse011631 1 22 1 1.5554 bmse011631 1 23 1 1.5413 bmse011631 1 24 1 1.5342 bmse011631 1 25 1 3.9679 bmse011631 1 26 1 3.9652 bmse011631 1 27 1 3.9620 bmse011631 1 28 1 3.9580 bmse011631 1 29 1 3.9454 bmse011631 1 30 1 3.9421 bmse011631 1 31 1 3.9395 bmse011631 1 32 1 3.3018 bmse011631 1 33 1 3.2974 bmse011631 1 34 1 3.2793 bmse011631 1 35 1 3.2756 bmse011631 1 36 1 3.2699 bmse011631 1 37 1 3.2578 bmse011631 1 38 1 3.2534 bmse011631 1 39 1 4.6500 bmse011631 1 40 1 2.1515 bmse011631 1 41 1 1.9901 bmse011631 1 42 1 7.6653 bmse011631 1 43 1 7.6787 bmse011631 1 44 1 2.5959 bmse011631 1 45 1 2.5996 bmse011631 1 46 1 2.6025 bmse011631 1 47 1 2.6055 bmse011631 1 48 1 2.6089 bmse011631 1 49 1 1.6966 bmse011631 1 50 1 1.6896 bmse011631 1 51 1 1.6752 bmse011631 1 52 1 1.6686 bmse011631 1 53 1 1.6543 bmse011631 1 54 1 1.6477 bmse011631 1 55 1 1.6332 bmse011631 1 56 1 1.6262 bmse011631 1 57 1 7.0905 bmse011631 1 58 1 7.0780 bmse011631 1 59 1 7.0780 bmse011631 1 60 1 7.0659 bmse011631 1 61 1 7.4240 bmse011631 1 62 1 7.4374 bmse011631 1 63 1 7.2034 bmse011631 1 64 1 7.1072 bmse011631 1 stop_ save_