######################### # 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 bmse011271 _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 bmse011271 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 bmse011271 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011271 1 2 bmse011271 1 3 bmse011271 1 4 bmse011271 1 5 bmse011271 1 6 bmse011271 1 7 bmse011271 1 8 bmse011271 1 9 bmse011271 1 10 bmse011271 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 3.1867 m_2H bmse011271 1 2 1 1.3027 m_6H bmse011271 1 3 1 4.6500 SUP bmse011271 1 4 1 0.8592 d_2H bmse011271 1 5 1 1.9638 m_2H bmse011271 1 6 1 1.7289 m_2H bmse011271 1 7 1 2.6030 DMSO bmse011271 1 8 1 3.5750 m_1H_Q1 bmse011271 1 9 1 1.5395 m_3H bmse011271 1 10 1 2.0382 d_2H bmse011271 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 4.3282 bmse011271 1 2 2 1 5.0953 bmse011271 1 3 3 1 0.0000 bmse011271 1 4 4 1 7.1526 bmse011271 1 5 5 1 5.8321 bmse011271 1 6 6 1 4.7592 bmse011271 1 7 7 1 1.9532 bmse011271 1 8 8 1 3.3012 bmse011271 1 9 9 1 4.3576 bmse011271 1 10 10 1 12.5445 bmse011271 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011271 1 2 bmse011271 1 3 bmse011271 1 4 bmse011271 1 5 bmse011271 1 6 bmse011271 1 7 bmse011271 1 8 bmse011271 1 9 bmse011271 1 10 bmse011271 1 11 bmse011271 1 12 bmse011271 1 13 bmse011271 1 14 bmse011271 1 15 bmse011271 1 16 bmse011271 1 17 bmse011271 1 18 bmse011271 1 19 bmse011271 1 20 bmse011271 1 21 bmse011271 1 22 bmse011271 1 23 bmse011271 1 24 bmse011271 1 25 bmse011271 1 26 bmse011271 1 27 bmse011271 1 28 bmse011271 1 29 bmse011271 1 30 bmse011271 1 31 bmse011271 1 32 bmse011271 1 33 bmse011271 1 34 bmse011271 1 35 bmse011271 1 36 bmse011271 1 37 bmse011271 1 38 bmse011271 1 39 bmse011271 1 40 bmse011271 1 41 bmse011271 1 42 bmse011271 1 43 bmse011271 1 44 bmse011271 1 45 bmse011271 1 46 bmse011271 1 47 bmse011271 1 48 bmse011271 1 49 bmse011271 1 50 bmse011271 1 51 bmse011271 1 52 bmse011271 1 53 bmse011271 1 54 bmse011271 1 55 bmse011271 1 56 bmse011271 1 57 bmse011271 1 58 bmse011271 1 59 bmse011271 1 60 bmse011271 1 61 bmse011271 1 62 bmse011271 1 63 bmse011271 1 64 bmse011271 1 65 bmse011271 1 66 bmse011271 1 67 bmse011271 1 68 bmse011271 1 69 bmse011271 1 70 bmse011271 1 71 bmse011271 1 72 bmse011271 1 73 bmse011271 1 74 bmse011271 1 75 bmse011271 1 76 bmse011271 1 77 bmse011271 1 78 bmse011271 1 79 bmse011271 1 80 bmse011271 1 81 bmse011271 1 82 bmse011271 1 83 bmse011271 1 84 bmse011271 1 85 bmse011271 1 86 bmse011271 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 3.2299 bmse011271 1 2 1 3.2215 bmse011271 1 3 1 3.2142 bmse011271 1 4 1 3.2079 bmse011271 1 5 1 3.1975 bmse011271 1 6 1 3.1905 bmse011271 1 7 1 3.1837 bmse011271 1 8 1 3.1760 bmse011271 1 9 1 3.1700 bmse011271 1 10 1 3.1641 bmse011271 1 11 1 3.1588 bmse011271 1 12 1 3.1498 bmse011271 1 13 1 3.1434 bmse011271 1 14 1 1.4003 bmse011271 1 15 1 1.3948 bmse011271 1 16 1 1.3857 bmse011271 1 17 1 1.3781 bmse011271 1 18 1 1.3728 bmse011271 1 19 1 1.3725 bmse011271 1 20 1 1.3585 bmse011271 1 21 1 1.3569 bmse011271 1 22 1 1.3528 bmse011271 1 23 1 1.3363 bmse011271 1 24 1 1.3317 bmse011271 1 25 1 1.3004 bmse011271 1 26 1 1.2958 bmse011271 1 27 1 1.2949 bmse011271 1 28 1 1.2782 bmse011271 1 29 1 1.2767 bmse011271 1 30 1 1.2738 bmse011271 1 31 1 1.2601 bmse011271 1 32 1 1.2558 bmse011271 1 33 1 1.2379 bmse011271 1 34 1 1.2326 bmse011271 1 35 1 1.2304 bmse011271 1 36 1 1.2159 bmse011271 1 37 1 1.2051 bmse011271 1 38 1 4.6500 bmse011271 1 39 1 0.8532 bmse011271 1 40 1 0.8651 bmse011271 1 41 1 1.9784 bmse011271 1 42 1 1.9742 bmse011271 1 43 1 1.9535 bmse011271 1 44 1 1.9493 bmse011271 1 45 1 1.7606 bmse011271 1 46 1 1.7531 bmse011271 1 47 1 1.7461 bmse011271 1 48 1 1.7417 bmse011271 1 49 1 1.7340 bmse011271 1 50 1 1.7269 bmse011271 1 51 1 1.7228 bmse011271 1 52 1 1.7094 bmse011271 1 53 1 1.6972 bmse011271 1 54 1 2.5965 bmse011271 1 55 1 2.6001 bmse011271 1 56 1 2.6031 bmse011271 1 57 1 2.6060 bmse011271 1 58 1 2.6095 bmse011271 1 59 1 3.5998 bmse011271 1 60 1 3.5924 bmse011271 1 61 1 3.5858 bmse011271 1 62 1 3.5812 bmse011271 1 63 1 3.5741 bmse011271 1 64 1 3.5669 bmse011271 1 65 1 3.5666 bmse011271 1 66 1 3.5625 bmse011271 1 67 1 3.5554 bmse011271 1 68 1 3.5502 bmse011271 1 69 1 1.5939 bmse011271 1 70 1 1.5884 bmse011271 1 71 1 1.5763 bmse011271 1 72 1 1.5718 bmse011271 1 73 1 1.5598 bmse011271 1 74 1 1.5552 bmse011271 1 75 1 1.5497 bmse011271 1 76 1 1.5358 bmse011271 1 77 1 1.5323 bmse011271 1 78 1 1.5257 bmse011271 1 79 1 1.5155 bmse011271 1 80 1 1.5092 bmse011271 1 81 1 1.5026 bmse011271 1 82 1 1.4982 bmse011271 1 83 1 1.4916 bmse011271 1 84 1 1.4850 bmse011271 1 85 1 2.0277 bmse011271 1 86 1 2.0486 bmse011271 1 stop_ save_