######################### # 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 bmse011559 _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 bmse011559 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 bmse011559 1 stop_ loop_ _Peak.ID _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 bmse011559 1 2 bmse011559 1 3 bmse011559 1 4 bmse011559 1 5 bmse011559 1 6 bmse011559 1 7 bmse011559 1 8 bmse011559 1 9 bmse011559 1 10 bmse011559 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 0.9102 d_2H bmse011559 1 2 1 4.6500 SUP bmse011559 1 3 1 2.4852 Imp1 bmse011559 1 4 1 1.8036 m_2H bmse011559 1 5 1 1.0208 d_2H bmse011559 1 6 1 1.5979 m_3H bmse011559 1 7 1 2.6026 DMSO bmse011559 1 8 1 3.1309 m_3H_Q1 bmse011559 1 9 1 2.0416 m_2H bmse011559 1 10 1 3.7849 m_2H bmse011559 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 7.2626 bmse011559 1 2 2 1 0.0000 bmse011559 1 3 3 1 0.0000 bmse011559 1 4 4 1 5.7858 bmse011559 1 5 5 1 6.8224 bmse011559 1 6 6 1 5.9482 bmse011559 1 7 7 1 1.9532 bmse011559 1 8 8 1 4.3339 bmse011559 1 9 9 1 5.2226 bmse011559 1 10 10 1 5.2504 bmse011559 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 bmse011559 1 2 bmse011559 1 3 bmse011559 1 4 bmse011559 1 5 bmse011559 1 6 bmse011559 1 7 bmse011559 1 8 bmse011559 1 9 bmse011559 1 10 bmse011559 1 11 bmse011559 1 12 bmse011559 1 13 bmse011559 1 14 bmse011559 1 15 bmse011559 1 16 bmse011559 1 17 bmse011559 1 18 bmse011559 1 19 bmse011559 1 20 bmse011559 1 21 bmse011559 1 22 bmse011559 1 23 bmse011559 1 24 bmse011559 1 25 bmse011559 1 26 bmse011559 1 27 bmse011559 1 28 bmse011559 1 29 bmse011559 1 30 bmse011559 1 31 bmse011559 1 32 bmse011559 1 33 bmse011559 1 34 bmse011559 1 35 bmse011559 1 36 bmse011559 1 37 bmse011559 1 38 bmse011559 1 39 bmse011559 1 40 bmse011559 1 41 bmse011559 1 42 bmse011559 1 43 bmse011559 1 44 bmse011559 1 45 bmse011559 1 46 bmse011559 1 47 bmse011559 1 48 bmse011559 1 49 bmse011559 1 50 bmse011559 1 51 bmse011559 1 52 bmse011559 1 53 bmse011559 1 54 bmse011559 1 55 bmse011559 1 56 bmse011559 1 57 bmse011559 1 58 bmse011559 1 59 bmse011559 1 60 bmse011559 1 61 bmse011559 1 62 bmse011559 1 63 bmse011559 1 64 bmse011559 1 65 bmse011559 1 66 bmse011559 1 67 bmse011559 1 68 bmse011559 1 69 bmse011559 1 70 bmse011559 1 71 bmse011559 1 72 bmse011559 1 73 bmse011559 1 74 bmse011559 1 75 bmse011559 1 76 bmse011559 1 77 bmse011559 1 78 bmse011559 1 79 bmse011559 1 80 bmse011559 1 81 bmse011559 1 82 bmse011559 1 83 bmse011559 1 84 bmse011559 1 85 bmse011559 1 86 bmse011559 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 0.9042 bmse011559 1 2 1 0.9163 bmse011559 1 3 1 4.6500 bmse011559 1 4 1 2.4852 bmse011559 1 5 1 1.8952 bmse011559 1 6 1 1.8911 bmse011559 1 7 1 1.8842 bmse011559 1 8 1 1.8728 bmse011559 1 9 1 1.8625 bmse011559 1 10 1 1.8510 bmse011559 1 11 1 1.8400 bmse011559 1 12 1 1.8061 bmse011559 1 13 1 1.7940 bmse011559 1 14 1 1.7824 bmse011559 1 15 1 1.7797 bmse011559 1 16 1 1.7727 bmse011559 1 17 1 1.7676 bmse011559 1 18 1 1.7615 bmse011559 1 19 1 1.7534 bmse011559 1 20 1 1.7456 bmse011559 1 21 1 1.7399 bmse011559 1 22 1 1.7327 bmse011559 1 23 1 1.7248 bmse011559 1 24 1 1.7120 bmse011559 1 25 1 1.0151 bmse011559 1 26 1 1.0265 bmse011559 1 27 1 1.6871 bmse011559 1 28 1 1.6757 bmse011559 1 29 1 1.6561 bmse011559 1 30 1 1.6478 bmse011559 1 31 1 1.6431 bmse011559 1 32 1 1.6321 bmse011559 1 33 1 1.6222 bmse011559 1 34 1 1.6152 bmse011559 1 35 1 1.6117 bmse011559 1 36 1 1.5978 bmse011559 1 37 1 1.5835 bmse011559 1 38 1 1.5705 bmse011559 1 39 1 1.5563 bmse011559 1 40 1 1.5503 bmse011559 1 41 1 1.5441 bmse011559 1 42 1 1.5375 bmse011559 1 43 1 1.5299 bmse011559 1 44 1 1.5233 bmse011559 1 45 1 1.5087 bmse011559 1 46 1 2.5961 bmse011559 1 47 1 2.5998 bmse011559 1 48 1 2.6027 bmse011559 1 49 1 2.6053 bmse011559 1 50 1 2.6091 bmse011559 1 51 1 3.1779 bmse011559 1 52 1 3.1709 bmse011559 1 53 1 3.1557 bmse011559 1 54 1 3.1484 bmse011559 1 55 1 3.1460 bmse011559 1 56 1 3.1381 bmse011559 1 57 1 3.1256 bmse011559 1 58 1 3.1161 bmse011559 1 59 1 3.1084 bmse011559 1 60 1 3.1021 bmse011559 1 61 1 3.1014 bmse011559 1 62 1 3.0944 bmse011559 1 63 1 3.0906 bmse011559 1 64 1 3.0840 bmse011559 1 65 1 2.0981 bmse011559 1 66 1 2.0864 bmse011559 1 67 1 2.0741 bmse011559 1 68 1 2.0650 bmse011559 1 69 1 2.0574 bmse011559 1 70 1 2.0510 bmse011559 1 71 1 2.0431 bmse011559 1 72 1 2.0354 bmse011559 1 73 1 2.0318 bmse011559 1 74 1 2.0294 bmse011559 1 75 1 2.0210 bmse011559 1 76 1 2.0085 bmse011559 1 77 1 1.9967 bmse011559 1 78 1 1.9850 bmse011559 1 79 1 3.8156 bmse011559 1 80 1 3.8086 bmse011559 1 81 1 3.7946 bmse011559 1 82 1 3.7851 bmse011559 1 83 1 3.7778 bmse011559 1 84 1 3.7717 bmse011559 1 85 1 3.7629 bmse011559 1 86 1 3.7543 bmse011559 1 stop_ save_