######################### # Spectral peak lists # ######################### save_spectral_peaks_1D_1H_set01 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peaks_1D_1H_set01 _Spectral_peak_list.Entry_ID bmse001303 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _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.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 1 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $chem_shift_set01 _Spectral_peak_list.Details 'F1: 1H' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 'Full H' . . 16.03 ppm . . . . . . bmse001303 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 3 $software_topspin . . bmse001303 1 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Peak_ID _Spectral_transition.Figure_of_merit _Spectral_transition.Details _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 . . . bmse001303 1 2 . . . bmse001303 1 3 . . . bmse001303 1 4 . . . bmse001303 1 5 . . . bmse001303 1 6 . . . bmse001303 1 7 . . . bmse001303 1 8 . . . bmse001303 1 9 . . . bmse001303 1 10 . . . bmse001303 1 11 . . . bmse001303 1 12 . . . bmse001303 1 13 . . . bmse001303 1 14 . . . bmse001303 1 15 . . . bmse001303 1 16 . . . bmse001303 1 17 . . . bmse001303 1 18 . . . bmse001303 1 19 . . . bmse001303 1 20 . . . bmse001303 1 21 . . . bmse001303 1 22 . . . bmse001303 1 23 . . . bmse001303 1 24 . . . bmse001303 1 25 . . . bmse001303 1 26 . . . bmse001303 1 27 . . . bmse001303 1 28 . . . bmse001303 1 29 . . . bmse001303 1 30 . . . bmse001303 1 31 . . . bmse001303 1 32 . . . bmse001303 1 33 . . . bmse001303 1 34 . . . bmse001303 1 35 . . . bmse001303 1 36 . . . bmse001303 1 37 . . . bmse001303 1 38 . . . bmse001303 1 39 . . . bmse001303 1 40 . . . bmse001303 1 41 . . . bmse001303 1 42 . . . bmse001303 1 43 . . . bmse001303 1 44 . . . bmse001303 1 45 . . . bmse001303 1 46 . . . bmse001303 1 47 . . . bmse001303 1 48 . . . bmse001303 1 49 . . . bmse001303 1 50 . . . bmse001303 1 51 . . . bmse001303 1 52 . . . bmse001303 1 53 . . . bmse001303 1 54 . . . bmse001303 1 55 . . . bmse001303 1 56 . . . bmse001303 1 57 . . . bmse001303 1 58 . . . bmse001303 1 59 . . . bmse001303 1 60 . . . bmse001303 1 61 . . . bmse001303 1 62 . . . bmse001303 1 63 . . . bmse001303 1 64 . . . bmse001303 1 65 . . . bmse001303 1 66 . . . bmse001303 1 67 . . . bmse001303 1 68 . . . bmse001303 1 69 . . . bmse001303 1 70 . . . bmse001303 1 71 . . . bmse001303 1 72 . . . bmse001303 1 73 . . . bmse001303 1 74 . . . bmse001303 1 75 . . . bmse001303 1 76 . . . bmse001303 1 77 . . . bmse001303 1 78 . . . bmse001303 1 79 . . . bmse001303 1 80 . . . bmse001303 1 81 . . . bmse001303 1 82 . . . bmse001303 1 83 . . . bmse001303 1 84 . . . bmse001303 1 85 . . . bmse001303 1 86 . . . bmse001303 1 87 . . . bmse001303 1 88 . . . bmse001303 1 89 . . . bmse001303 1 90 . . . bmse001303 1 91 . . . bmse001303 1 92 . . . bmse001303 1 93 . . . bmse001303 1 94 . . . bmse001303 1 95 . . . bmse001303 1 96 . . . bmse001303 1 97 . . . bmse001303 1 98 . . . bmse001303 1 99 . . . bmse001303 1 100 . . . bmse001303 1 101 . . . bmse001303 1 102 . . . bmse001303 1 103 . . . bmse001303 1 104 . . . bmse001303 1 105 . . . bmse001303 1 106 . . . bmse001303 1 107 . . . bmse001303 1 108 . . . bmse001303 1 109 . . . bmse001303 1 110 . . . bmse001303 1 111 . . . bmse001303 1 112 . . . bmse001303 1 113 . . . bmse001303 1 114 . . . bmse001303 1 115 . . . bmse001303 1 116 . . . bmse001303 1 117 . . . bmse001303 1 118 . . . bmse001303 1 stop_ loop_ _Spectral_transition_general_char.Spectral_transition_ID _Spectral_transition_general_char.Peak_ID _Spectral_transition_general_char.Intensity_val _Spectral_transition_general_char.Intensity_val_err _Spectral_transition_general_char.Measurement_method _Spectral_transition_general_char.Entry_ID _Spectral_transition_general_char.Spectral_peak_list_ID 1 . 0.97 . 'relative height' bmse001303 1 2 . 1.07 . 'relative height' bmse001303 1 3 . 1.12 . 'relative height' bmse001303 1 4 . 1.29 . 'relative height' bmse001303 1 5 . 1.44 . 'relative height' bmse001303 1 6 . 0.28 . 'relative height' bmse001303 1 7 . 0.30 . 'relative height' bmse001303 1 8 . 0.31 . 'relative height' bmse001303 1 9 . 0.33 . 'relative height' bmse001303 1 10 . 0.38 . 'relative height' bmse001303 1 11 . 0.42 . 'relative height' bmse001303 1 12 . 0.49 . 'relative height' bmse001303 1 13 . 7.66 . 'relative height' bmse001303 1 14 . 0.18 . 'relative height' bmse001303 1 15 . 0.65 . 'relative height' bmse001303 1 16 . 0.66 . 'relative height' bmse001303 1 17 . 1.26 . 'relative height' bmse001303 1 18 . 0.89 . 'relative height' bmse001303 1 19 . 0.79 . 'relative height' bmse001303 1 20 . 1.02 . 'relative height' bmse001303 1 21 . 1.03 . 'relative height' bmse001303 1 22 . 1.37 . 'relative height' bmse001303 1 23 . 0.60 . 'relative height' bmse001303 1 24 . 0.55 . 'relative height' bmse001303 1 25 . 0.59 . 'relative height' bmse001303 1 26 . 0.56 . 'relative height' bmse001303 1 27 . 0.99 . 'relative height' bmse001303 1 28 . 0.94 . 'relative height' bmse001303 1 29 . 0.58 . 'relative height' bmse001303 1 30 . 15.00 . 'relative height' bmse001303 1 31 . 0.35 . 'relative height' bmse001303 1 32 . 1.57 . 'relative height' bmse001303 1 33 . 1.20 . 'relative height' bmse001303 1 34 . 1.04 . 'relative height' bmse001303 1 35 . 1.25 . 'relative height' bmse001303 1 36 . 1.64 . 'relative height' bmse001303 1 37 . 0.78 . 'relative height' bmse001303 1 38 . 0.26 . 'relative height' bmse001303 1 39 . 0.28 . 'relative height' bmse001303 1 40 . 0.27 . 'relative height' bmse001303 1 41 . 0.46 . 'relative height' bmse001303 1 42 . 0.31 . 'relative height' bmse001303 1 43 . 0.35 . 'relative height' bmse001303 1 44 . 0.48 . 'relative height' bmse001303 1 45 . 0.26 . 'relative height' bmse001303 1 46 . 0.43 . 'relative height' bmse001303 1 47 . 0.22 . 'relative height' bmse001303 1 48 . 0.20 . 'relative height' bmse001303 1 49 . 0.80 . 'relative height' bmse001303 1 50 . 1.21 . 'relative height' bmse001303 1 51 . 0.77 . 'relative height' bmse001303 1 52 . 1.31 . 'relative height' bmse001303 1 53 . 1.17 . 'relative height' bmse001303 1 54 . 0.44 . 'relative height' bmse001303 1 55 . 0.57 . 'relative height' bmse001303 1 56 . 0.59 . 'relative height' bmse001303 1 57 . 0.53 . 'relative height' bmse001303 1 58 . 1.04 . 'relative height' bmse001303 1 59 . 1.46 . 'relative height' bmse001303 1 60 . 0.61 . 'relative height' bmse001303 1 61 . 0.97 . 'relative height' bmse001303 1 62 . 0.97 . 'relative height' bmse001303 1 63 . 1.09 . 'relative height' bmse001303 1 64 . 1.04 . 'relative height' bmse001303 1 65 . 0.82 . 'relative height' bmse001303 1 66 . 0.58 . 'relative height' bmse001303 1 67 . 0.61 . 'relative height' bmse001303 1 68 . 0.99 . 'relative height' bmse001303 1 69 . 0.24 . 'relative height' bmse001303 1 70 . 0.28 . 'relative height' bmse001303 1 71 . 0.58 . 'relative height' bmse001303 1 72 . 0.59 . 'relative height' bmse001303 1 73 . 0.31 . 'relative height' bmse001303 1 74 . 0.35 . 'relative height' bmse001303 1 75 . 0.68 . 'relative height' bmse001303 1 76 . 0.65 . 'relative height' bmse001303 1 77 . 0.29 . 'relative height' bmse001303 1 78 . 0.55 . 'relative height' bmse001303 1 79 . 0.59 . 'relative height' bmse001303 1 80 . 1.17 . 'relative height' bmse001303 1 81 . 1.48 . 'relative height' bmse001303 1 82 . 1.31 . 'relative height' bmse001303 1 83 . 1.26 . 'relative height' bmse001303 1 84 . 0.74 . 'relative height' bmse001303 1 85 . 0.73 . 'relative height' bmse001303 1 86 . 0.62 . 'relative height' bmse001303 1 87 . 0.47 . 'relative height' bmse001303 1 88 . 0.49 . 'relative height' bmse001303 1 89 . 0.35 . 'relative height' bmse001303 1 90 . 0.53 . 'relative height' bmse001303 1 91 . 0.58 . 'relative height' bmse001303 1 92 . 0.57 . 'relative height' bmse001303 1 93 . 0.53 . 'relative height' bmse001303 1 94 . 0.36 . 'relative height' bmse001303 1 95 . 0.38 . 'relative height' bmse001303 1 96 . 0.34 . 'relative height' bmse001303 1 97 . 0.31 . 'relative height' bmse001303 1 98 . 0.26 . 'relative height' bmse001303 1 99 . 0.50 . 'relative height' bmse001303 1 100 . 0.37 . 'relative height' bmse001303 1 101 . 0.54 . 'relative height' bmse001303 1 102 . 0.34 . 'relative height' bmse001303 1 103 . 0.28 . 'relative height' bmse001303 1 104 . 0.20 . 'relative height' bmse001303 1 105 . 0.41 . 'relative height' bmse001303 1 106 . 0.43 . 'relative height' bmse001303 1 107 . 0.54 . 'relative height' bmse001303 1 108 . 0.77 . 'relative height' bmse001303 1 109 . 0.74 . 'relative height' bmse001303 1 110 . 0.46 . 'relative height' bmse001303 1 111 . 0.56 . 'relative height' bmse001303 1 112 . 0.56 . 'relative height' bmse001303 1 113 . 0.84 . 'relative height' bmse001303 1 114 . 1.00 . 'relative height' bmse001303 1 115 . 0.55 . 'relative height' bmse001303 1 116 . 0.54 . 'relative height' bmse001303 1 117 . 0.25 . 'relative height' bmse001303 1 118 . 0.22 . 'relative height' bmse001303 1 stop_ loop_ _Spectral_transition_char.Spectral_transition_ID _Spectral_transition_char.Peak_ID _Spectral_transition_char.Spectral_dim_ID _Spectral_transition_char.Chem_shift_val _Spectral_transition_char.Chem_shift_val_err _Spectral_transition_char.Line_width_val _Spectral_transition_char.Line_width_val_err _Spectral_transition_char.Phase_val _Spectral_transition_char.Phase_val_err _Spectral_transition_char.Decay_rate_val _Spectral_transition_char.Decay_rate_val_err _Spectral_transition_char.Bounding_box_upper_val _Spectral_transition_char.Bounding_box_lower_val _Spectral_transition_char.Bounding_box_width_val _Spectral_transition_char.Derivation_method_ID _Spectral_transition_char.Entry_ID _Spectral_transition_char.Spectral_peak_list_ID 1 . 1 7.9875 . . . . . . . . . . . bmse001303 1 2 . 1 7.4980 . . . . . . . . . . . bmse001303 1 3 . 1 7.4826 . . . . . . . . . . . bmse001303 1 4 . 1 7.4259 . . . . . . . . . . . bmse001303 1 5 . 1 7.4099 . . . . . . . . . . . bmse001303 1 6 . 1 7.2718 . . . . . . . . . . . bmse001303 1 7 . 1 7.2708 . . . . . . . . . . . bmse001303 1 8 . 1 7.2699 . . . . . . . . . . . bmse001303 1 9 . 1 7.2689 . . . . . . . . . . . bmse001303 1 10 . 1 7.2679 . . . . . . . . . . . bmse001303 1 11 . 1 7.2669 . . . . . . . . . . . bmse001303 1 12 . 1 7.2659 . . . . . . . . . . . bmse001303 1 13 . 1 7.2614 . . . . . . . . . . . bmse001303 1 14 . 1 7.2577 . . . . . . . . . . . bmse001303 1 15 . 1 7.1882 . . . . . . . . . . . bmse001303 1 16 . 1 7.1859 . . . . . . . . . . . bmse001303 1 17 . 1 7.1720 . . . . . . . . . . . bmse001303 1 18 . 1 7.1581 . . . . . . . . . . . bmse001303 1 19 . 1 7.1556 . . . . . . . . . . . bmse001303 1 20 . 1 7.1293 . . . . . . . . . . . bmse001303 1 21 . 1 7.1274 . . . . . . . . . . . bmse001303 1 22 . 1 7.1135 . . . . . . . . . . . bmse001303 1 23 . 1 7.0996 . . . . . . . . . . . bmse001303 1 24 . 1 7.0978 . . . . . . . . . . . bmse001303 1 25 . 1 4.4809 . . . . . . . . . . . bmse001303 1 26 . 1 4.4766 . . . . . . . . . . . bmse001303 1 27 . 1 4.2245 . . . . . . . . . . . bmse001303 1 28 . 1 4.2194 . . . . . . . . . . . bmse001303 1 29 . 1 3.8101 . . . . . . . . . . . bmse001303 1 30 . 1 3.8009 . . . . . . . . . . . bmse001303 1 31 . 1 3.3118 . . . . . . . . . . . bmse001303 1 32 . 1 3.3044 . . . . . . . . . . . bmse001303 1 33 . 1 3.3002 . . . . . . . . . . . bmse001303 1 34 . 1 3.2960 . . . . . . . . . . . bmse001303 1 35 . 1 3.2879 . . . . . . . . . . . bmse001303 1 36 . 1 3.2846 . . . . . . . . . . . bmse001303 1 37 . 1 3.2749 . . . . . . . . . . . bmse001303 1 38 . 1 3.0557 . . . . . . . . . . . bmse001303 1 39 . 1 3.0508 . . . . . . . . . . . bmse001303 1 40 . 1 3.0405 . . . . . . . . . . . bmse001303 1 41 . 1 3.0350 . . . . . . . . . . . bmse001303 1 42 . 1 3.0298 . . . . . . . . . . . bmse001303 1 43 . 1 3.0238 . . . . . . . . . . . bmse001303 1 44 . 1 3.0191 . . . . . . . . . . . bmse001303 1 45 . 1 3.0145 . . . . . . . . . . . bmse001303 1 46 . 1 3.0039 . . . . . . . . . . . bmse001303 1 47 . 1 2.9875 . . . . . . . . . . . bmse001303 1 48 . 1 2.9825 . . . . . . . . . . . bmse001303 1 49 . 1 2.6046 . . . . . . . . . . . bmse001303 1 50 . 1 2.5975 . . . . . . . . . . . bmse001303 1 51 . 1 2.5890 . . . . . . . . . . . bmse001303 1 52 . 1 2.5825 . . . . . . . . . . . bmse001303 1 53 . 1 2.5749 . . . . . . . . . . . bmse001303 1 54 . 1 2.5702 . . . . . . . . . . . bmse001303 1 55 . 1 2.5658 . . . . . . . . . . . bmse001303 1 56 . 1 2.5619 . . . . . . . . . . . bmse001303 1 57 . 1 2.5582 . . . . . . . . . . . bmse001303 1 58 . 1 2.5388 . . . . . . . . . . . bmse001303 1 59 . 1 2.5171 . . . . . . . . . . . bmse001303 1 60 . 1 2.4951 . . . . . . . . . . . bmse001303 1 61 . 1 2.3006 . . . . . . . . . . . bmse001303 1 62 . 1 2.2955 . . . . . . . . . . . bmse001303 1 63 . 1 2.2781 . . . . . . . . . . . bmse001303 1 64 . 1 2.2730 . . . . . . . . . . . bmse001303 1 65 . 1 2.1909 . . . . . . . . . . . bmse001303 1 66 . 1 2.1863 . . . . . . . . . . . bmse001303 1 67 . 1 2.1695 . . . . . . . . . . . bmse001303 1 68 . 1 2.1647 . . . . . . . . . . . bmse001303 1 69 . 1 2.0431 . . . . . . . . . . . bmse001303 1 70 . 1 1.8902 . . . . . . . . . . . bmse001303 1 71 . 1 1.8835 . . . . . . . . . . . bmse001303 1 72 . 1 1.8773 . . . . . . . . . . . bmse001303 1 73 . 1 1.8708 . . . . . . . . . . . bmse001303 1 74 . 1 1.8621 . . . . . . . . . . . bmse001303 1 75 . 1 1.8555 . . . . . . . . . . . bmse001303 1 76 . 1 1.8493 . . . . . . . . . . . bmse001303 1 77 . 1 1.8428 . . . . . . . . . . . bmse001303 1 78 . 1 1.7035 . . . . . . . . . . . bmse001303 1 79 . 1 1.6939 . . . . . . . . . . . bmse001303 1 80 . 1 1.6789 . . . . . . . . . . . bmse001303 1 81 . 1 1.6693 . . . . . . . . . . . bmse001303 1 82 . 1 1.6531 . . . . . . . . . . . bmse001303 1 83 . 1 1.6433 . . . . . . . . . . . bmse001303 1 84 . 1 1.6231 . . . . . . . . . . . bmse001303 1 85 . 1 1.6190 . . . . . . . . . . . bmse001303 1 86 . 1 1.5964 . . . . . . . . . . . bmse001303 1 87 . 1 1.5777 . . . . . . . . . . . bmse001303 1 88 . 1 1.5727 . . . . . . . . . . . bmse001303 1 89 . 1 1.5644 . . . . . . . . . . . bmse001303 1 90 . 1 1.5509 . . . . . . . . . . . bmse001303 1 91 . 1 1.5460 . . . . . . . . . . . bmse001303 1 92 . 1 1.5420 . . . . . . . . . . . bmse001303 1 93 . 1 1.5373 . . . . . . . . . . . bmse001303 1 94 . 1 1.5233 . . . . . . . . . . . bmse001303 1 95 . 1 1.5183 . . . . . . . . . . . bmse001303 1 96 . 1 1.5144 . . . . . . . . . . . bmse001303 1 97 . 1 1.5095 . . . . . . . . . . . bmse001303 1 98 . 1 1.4493 . . . . . . . . . . . bmse001303 1 99 . 1 1.4278 . . . . . . . . . . . bmse001303 1 100 . 1 1.4121 . . . . . . . . . . . bmse001303 1 101 . 1 1.4046 . . . . . . . . . . . bmse001303 1 102 . 1 1.3973 . . . . . . . . . . . bmse001303 1 103 . 1 1.3835 . . . . . . . . . . . bmse001303 1 104 . 1 1.3762 . . . . . . . . . . . bmse001303 1 105 . 1 1.3348 . . . . . . . . . . . bmse001303 1 106 . 1 1.3288 . . . . . . . . . . . bmse001303 1 107 . 1 1.3164 . . . . . . . . . . . bmse001303 1 108 . 1 1.3086 . . . . . . . . . . . bmse001303 1 109 . 1 1.3027 . . . . . . . . . . . bmse001303 1 110 . 1 1.2947 . . . . . . . . . . . bmse001303 1 111 . 1 1.2900 . . . . . . . . . . . bmse001303 1 112 . 1 1.2825 . . . . . . . . . . . bmse001303 1 113 . 1 1.2633 . . . . . . . . . . . bmse001303 1 114 . 1 1.2558 . . . . . . . . . . . bmse001303 1 115 . 1 1.2393 . . . . . . . . . . . bmse001303 1 116 . 1 1.2318 . . . . . . . . . . . bmse001303 1 117 . 1 1.2128 . . . . . . . . . . . bmse001303 1 118 . 1 1.2053 . . . . . . . . . . . bmse001303 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peaks_1D_13C_set01 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peaks_1D_13C_set01 _Spectral_peak_list.Entry_ID bmse001303 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name . _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 3 _Spectral_peak_list.Experiment_name '1D 13C' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 1 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $chem_shift_set01 _Spectral_peak_list.Details 'F1: 13C' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . C 13 'Full C' . . 248.61 ppm . . . . . . bmse001303 2 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 3 $software_topspin . . bmse001303 2 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Peak_ID _Spectral_transition.Figure_of_merit _Spectral_transition.Details _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 . . . bmse001303 2 2 . . . bmse001303 2 3 . . . bmse001303 2 4 . . . bmse001303 2 5 . . . bmse001303 2 6 . . . bmse001303 2 7 . . . bmse001303 2 8 . . . bmse001303 2 9 . . . bmse001303 2 10 . . . bmse001303 2 11 . . . bmse001303 2 12 . . . bmse001303 2 13 . . . bmse001303 2 14 . . . bmse001303 2 15 . . . bmse001303 2 16 . . . bmse001303 2 17 . . . bmse001303 2 18 . . . bmse001303 2 19 . . . bmse001303 2 20 . . . bmse001303 2 21 . . . bmse001303 2 stop_ loop_ _Spectral_transition_general_char.Spectral_transition_ID _Spectral_transition_general_char.Peak_ID _Spectral_transition_general_char.Intensity_val _Spectral_transition_general_char.Intensity_val_err _Spectral_transition_general_char.Measurement_method _Spectral_transition_general_char.Entry_ID _Spectral_transition_general_char.Spectral_peak_list_ID 1 . 0.21 . 'relative height' bmse001303 2 2 . 0.19 . 'relative height' bmse001303 2 3 . 0.21 . 'relative height' bmse001303 2 4 . 0.21 . 'relative height' bmse001303 2 5 . 0.35 . 'relative height' bmse001303 2 6 . 0.38 . 'relative height' bmse001303 2 7 . 0.38 . 'relative height' bmse001303 2 8 . 0.39 . 'relative height' bmse001303 2 9 . 0.25 . 'relative height' bmse001303 2 10 . 0.40 . 'relative height' bmse001303 2 11 . 0.37 . 'relative height' bmse001303 2 12 . 0.38 . 'relative height' bmse001303 2 13 . 0.41 . 'relative height' bmse001303 2 14 . 0.37 . 'relative height' bmse001303 2 15 . 0.37 . 'relative height' bmse001303 2 16 . 0.39 . 'relative height' bmse001303 2 17 . 0.37 . 'relative height' bmse001303 2 18 . 0.35 . 'relative height' bmse001303 2 19 . 0.43 . 'relative height' bmse001303 2 20 . 0.34 . 'relative height' bmse001303 2 21 . 0.34 . 'relative height' bmse001303 2 stop_ loop_ _Spectral_transition_char.Spectral_transition_ID _Spectral_transition_char.Peak_ID _Spectral_transition_char.Spectral_dim_ID _Spectral_transition_char.Chem_shift_val _Spectral_transition_char.Chem_shift_val_err _Spectral_transition_char.Line_width_val _Spectral_transition_char.Line_width_val_err _Spectral_transition_char.Phase_val _Spectral_transition_char.Phase_val_err _Spectral_transition_char.Decay_rate_val _Spectral_transition_char.Decay_rate_val_err _Spectral_transition_char.Bounding_box_upper_val _Spectral_transition_char.Bounding_box_lower_val _Spectral_transition_char.Bounding_box_width_val _Spectral_transition_char.Derivation_method_ID _Spectral_transition_char.Entry_ID _Spectral_transition_char.Spectral_peak_list_ID 1 . 1 174.9632 . . . . . . . . . . . bmse001303 2 2 . 1 135.8719 . . . . . . . . . . . bmse001303 2 3 . 1 132.9505 . . . . . . . . . . . bmse001303 2 4 . 1 127.7558 . . . . . . . . . . . bmse001303 2 5 . 1 121.3843 . . . . . . . . . . . bmse001303 2 6 . 1 119.3554 . . . . . . . . . . . bmse001303 2 7 . 1 117.9211 . . . . . . . . . . . bmse001303 2 8 . 1 111.3809 . . . . . . . . . . . bmse001303 2 9 . 1 107.8215 . . . . . . . . . . . bmse001303 2 10 . 1 67.3048 . . . . . . . . . . . bmse001303 2 11 . 1 54.1034 . . . . . . . . . . . bmse001303 2 12 . 1 52.0013 . . . . . . . . . . . bmse001303 2 13 . 1 51.9150 . . . . . . . . . . . bmse001303 2 14 . 1 51.2477 . . . . . . . . . . . bmse001303 2 15 . 1 51.0111 . . . . . . . . . . . bmse001303 2 16 . 1 40.2057 . . . . . . . . . . . bmse001303 2 17 . 1 32.4146 . . . . . . . . . . . bmse001303 2 18 . 1 31.5813 . . . . . . . . . . . bmse001303 2 19 . 1 31.4355 . . . . . . . . . . . bmse001303 2 20 . 1 22.9932 . . . . . . . . . . . bmse001303 2 21 . 1 16.9317 . . . . . . . . . . . bmse001303 2 stop_ loop_ _Assigned_spectral_transition.Spectral_transition_ID _Assigned_spectral_transition.Spectral_dim_ID _Assigned_spectral_transition.Contribution_fractional_val _Assigned_spectral_transition.Peak_ID _Assigned_spectral_transition.Set_ID _Assigned_spectral_transition.Magnetization_linkage_ID _Assigned_spectral_transition.Assembly_atom_ID _Assigned_spectral_transition.Val _Assigned_spectral_transition.Assigned_chem_shift_list_ID _Assigned_spectral_transition.Atom_chem_shift_ID _Assigned_spectral_transition.Entity_assembly_ID _Assigned_spectral_transition.Entity_ID _Assigned_spectral_transition.Comp_index_ID _Assigned_spectral_transition.Comp_ID _Assigned_spectral_transition.Atom_ID _Assigned_spectral_transition.Figure_of_merit _Assigned_spectral_transition.Resonance_ID _Assigned_spectral_transition.Details _Assigned_spectral_transition.Entry_ID _Assigned_spectral_transition.Spectral_peak_list_ID 1 1 . . . . 21 174.9632 1 . 1 1 1 BMET001303 C21 . . . bmse001303 2 2 1 . . . . 16 135.8719 1 . 1 1 1 BMET001303 C16 . . . bmse001303 2 3 1 . . . . 20 132.9505 1 . 1 1 1 BMET001303 C20 . . . bmse001303 2 4 1 . . . . 13 127.7558 1 . 1 1 1 BMET001303 C13 . . . bmse001303 2 5 1 . . . . 3 121.3843 1 . 1 1 1 BMET001303 C3 . . . bmse001303 2 6 1 . . . . 2 119.3554 1 . 1 1 1 BMET001303 C2 . . . bmse001303 2 7 1 . . . . 4 117.9211 1 . 1 1 1 BMET001303 C4 . . . bmse001303 2 8 1 . . . . 5 111.3809 1 . 1 1 1 BMET001303 C5 . . . bmse001303 2 9 1 . . . . 14 107.8215 1 . 1 1 1 BMET001303 C14 . . . bmse001303 2 10 1 . . . . 18 67.3048 1 . 1 1 1 BMET001303 C18 . . . bmse001303 2 11 1 . . . . 17 54.1034 1 . 1 1 1 BMET001303 C17 . . . bmse001303 2 12 1 . . . . 19 52.0013 1 . 1 1 1 BMET001303 C19 . . . bmse001303 2 13 1 . . . . 1 51.9150 1 . 1 1 1 BMET001303 C1 . . . bmse001303 2 14 1 . . . . 11 51.2477 1 . 1 1 1 BMET001303 C11 . . . bmse001303 2 15 1 . . . . 9 51.0111 1 . 1 1 1 BMET001303 C9 . . . bmse001303 2 16 1 . . . . 12 40.2057 1 . 1 1 1 BMET001303 C12 . . . bmse001303 2 17 1 . . . . 10 32.4146 1 . 1 1 1 BMET001303 C10 . . . bmse001303 2 18 1 . . . . 7 31.5813 1 . 1 1 1 BMET001303 C7 . . . bmse001303 2 19 1 . . . . 15 31.4355 1 . 1 1 1 BMET001303 C15 . . . bmse001303 2 20 1 . . . . 6 22.9932 1 . 1 1 1 BMET001303 C6 . . . bmse001303 2 21 1 . . . . 8 16.9317 1 . 1 1 1 BMET001303 C8 . . . bmse001303 2 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peaks_1D_DEPT90_set01 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peaks_1D_DEPT90_set01 _Spectral_peak_list.Entry_ID bmse001303 _Spectral_peak_list.ID 3 _Spectral_peak_list.Name . _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 4 _Spectral_peak_list.Experiment_name '1D DEPT90' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 1 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $chem_shift_set01 _Spectral_peak_list.Details 'F1: 13C' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . C 13 'Full C' . . 236.77 ppm . . . . . . bmse001303 3 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 3 $software_topspin . . bmse001303 3 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Peak_ID _Spectral_transition.Figure_of_merit _Spectral_transition.Details _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 . . . bmse001303 3 2 . . . bmse001303 3 3 . . . bmse001303 3 4 . . . bmse001303 3 5 . . . bmse001303 3 6 . . . bmse001303 3 7 . . . bmse001303 3 8 . . . bmse001303 3 9 . . . bmse001303 3 stop_ loop_ _Spectral_transition_general_char.Spectral_transition_ID _Spectral_transition_general_char.Peak_ID _Spectral_transition_general_char.Intensity_val _Spectral_transition_general_char.Intensity_val_err _Spectral_transition_general_char.Measurement_method _Spectral_transition_general_char.Entry_ID _Spectral_transition_general_char.Spectral_peak_list_ID 1 . 13.74 . 'relative height' bmse001303 3 2 . 13.57 . 'relative height' bmse001303 3 3 . 13.30 . 'relative height' bmse001303 3 4 . 13.48 . 'relative height' bmse001303 3 5 . 14.97 . 'relative height' bmse001303 3 6 . 15.00 . 'relative height' bmse001303 3 7 . 14.94 . 'relative height' bmse001303 3 8 . 11.52 . 'relative height' bmse001303 3 9 . 12.35 . 'relative height' bmse001303 3 stop_ loop_ _Spectral_transition_char.Spectral_transition_ID _Spectral_transition_char.Peak_ID _Spectral_transition_char.Spectral_dim_ID _Spectral_transition_char.Chem_shift_val _Spectral_transition_char.Chem_shift_val_err _Spectral_transition_char.Line_width_val _Spectral_transition_char.Line_width_val_err _Spectral_transition_char.Phase_val _Spectral_transition_char.Phase_val_err _Spectral_transition_char.Decay_rate_val _Spectral_transition_char.Decay_rate_val_err _Spectral_transition_char.Bounding_box_upper_val _Spectral_transition_char.Bounding_box_lower_val _Spectral_transition_char.Bounding_box_width_val _Spectral_transition_char.Derivation_method_ID _Spectral_transition_char.Entry_ID _Spectral_transition_char.Spectral_peak_list_ID 1 . 1 121.3814 . . . . . . . . . . . bmse001303 3 2 . 1 119.3511 . . . . . . . . . . . bmse001303 3 3 . 1 117.9182 . . . . . . . . . . . bmse001303 3 4 . 1 111.3784 . . . . . . . . . . . bmse001303 3 5 . 1 67.3040 . . . . . . . . . . . bmse001303 3 6 . 1 54.1021 . . . . . . . . . . . bmse001303 3 7 . 1 51.9997 . . . . . . . . . . . bmse001303 3 8 . 1 40.2039 . . . . . . . . . . . bmse001303 3 9 . 1 31.4333 . . . . . . . . . . . bmse001303 3 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peaks_1D_DEPT135_set01 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peaks_1D_DEPT135_set01 _Spectral_peak_list.Entry_ID bmse001303 _Spectral_peak_list.ID 4 _Spectral_peak_list.Name . _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 5 _Spectral_peak_list.Experiment_name '1D DEPT135' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 1 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $chem_shift_set01 _Spectral_peak_list.Details 'F1: 13C' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . C 13 'Full C' . . 236.77 ppm . . . . . . bmse001303 4 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 3 $software_topspin . . bmse001303 4 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Peak_ID _Spectral_transition.Figure_of_merit _Spectral_transition.Details _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 . . . bmse001303 4 2 . . . bmse001303 4 3 . . . bmse001303 4 4 . . . bmse001303 4 5 . . . bmse001303 4 6 . . . bmse001303 4 7 . . . bmse001303 4 8 . . . bmse001303 4 9 . . . bmse001303 4 10 . . . bmse001303 4 11 . . . bmse001303 4 12 . . . bmse001303 4 13 . . . bmse001303 4 14 . . . bmse001303 4 15 . . . bmse001303 4 16 . . . bmse001303 4 stop_ loop_ _Spectral_transition_general_char.Spectral_transition_ID _Spectral_transition_general_char.Peak_ID _Spectral_transition_general_char.Intensity_val _Spectral_transition_general_char.Intensity_val_err _Spectral_transition_general_char.Measurement_method _Spectral_transition_general_char.Entry_ID _Spectral_transition_general_char.Spectral_peak_list_ID 1 . 9.44 . 'relative height' bmse001303 4 2 . 9.01 . 'relative height' bmse001303 4 3 . 7.54 . 'relative height' bmse001303 4 4 . 7.77 . 'relative height' bmse001303 4 5 . 8.84 . 'relative height' bmse001303 4 6 . 10.43 . 'relative height' bmse001303 4 7 . 11.00 . 'relative height' bmse001303 4 8 . 15.00 . 'relative height' bmse001303 4 9 . -9.74 . 'relative height' bmse001303 4 10 . -12.22 . 'relative height' bmse001303 4 11 . 5.90 . 'relative height' bmse001303 4 12 . -7.11 . 'relative height' bmse001303 4 13 . -7.68 . 'relative height' bmse001303 4 14 . 8.45 . 'relative height' bmse001303 4 15 . -9.67 . 'relative height' bmse001303 4 16 . -10.54 . 'relative height' bmse001303 4 stop_ loop_ _Spectral_transition_char.Spectral_transition_ID _Spectral_transition_char.Peak_ID _Spectral_transition_char.Spectral_dim_ID _Spectral_transition_char.Chem_shift_val _Spectral_transition_char.Chem_shift_val_err _Spectral_transition_char.Line_width_val _Spectral_transition_char.Line_width_val_err _Spectral_transition_char.Phase_val _Spectral_transition_char.Phase_val_err _Spectral_transition_char.Decay_rate_val _Spectral_transition_char.Decay_rate_val_err _Spectral_transition_char.Bounding_box_upper_val _Spectral_transition_char.Bounding_box_lower_val _Spectral_transition_char.Bounding_box_width_val _Spectral_transition_char.Derivation_method_ID _Spectral_transition_char.Entry_ID _Spectral_transition_char.Spectral_peak_list_ID 1 . 1 121.3801 . . . . . . . . . . . bmse001303 4 2 . 1 119.3496 . . . . . . . . . . . bmse001303 4 3 . 1 117.9178 . . . . . . . . . . . bmse001303 4 4 . 1 111.3780 . . . . . . . . . . . bmse001303 4 5 . 1 67.3037 . . . . . . . . . . . bmse001303 4 6 . 1 54.1013 . . . . . . . . . . . bmse001303 4 7 . 1 51.9985 . . . . . . . . . . . bmse001303 4 8 . 1 51.9116 . . . . . . . . . . . bmse001303 4 9 . 1 51.2459 . . . . . . . . . . . bmse001303 4 10 . 1 51.0082 . . . . . . . . . . . bmse001303 4 11 . 1 40.2036 . . . . . . . . . . . bmse001303 4 12 . 1 32.4129 . . . . . . . . . . . bmse001303 4 13 . 1 31.5780 . . . . . . . . . . . bmse001303 4 14 . 1 31.4320 . . . . . . . . . . . bmse001303 4 15 . 1 22.9912 . . . . . . . . . . . bmse001303 4 16 . 1 16.9285 . . . . . . . . . . . bmse001303 4 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peaks_2D_1H-13C_HSQC_set01 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peaks_2D_1H-13C_HSQC_set01 _Spectral_peak_list.Entry_ID bmse001303 _Spectral_peak_list.ID 5 _Spectral_peak_list.Name . _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 6 _Spectral_peak_list.Experiment_name '2D 1H-13C HSQC' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $chem_shift_set01 _Spectral_peak_list.Details 'F1: 13C, F2: 1H' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . C 13 'Full C' . . 165.00 ppm . . . . . . bmse001303 5 2 . . H 1 'Full H' . . 12.99 ppm . . . . . . bmse001303 5 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 3 $software_topspin . . bmse001303 5 stop_ loop_ _Spectral_transition.ID _Spectral_transition.Peak_ID _Spectral_transition.Figure_of_merit _Spectral_transition.Details _Spectral_transition.Entry_ID _Spectral_transition.Spectral_peak_list_ID 1 . . . bmse001303 5 2 . . . bmse001303 5 3 . . . bmse001303 5 4 . . . bmse001303 5 5 . . . bmse001303 5 6 . . . bmse001303 5 7 . . . bmse001303 5 8 . . . bmse001303 5 9 . . . bmse001303 5 10 . . . bmse001303 5 11 . . . bmse001303 5 12 . . . bmse001303 5 13 . . . bmse001303 5 14 . . . bmse001303 5 15 . . . bmse001303 5 16 . . . bmse001303 5 17 . . . bmse001303 5 18 . . . bmse001303 5 19 . . . bmse001303 5 20 . . . bmse001303 5 21 . . . bmse001303 5 stop_ loop_ _Spectral_transition_general_char.Spectral_transition_ID _Spectral_transition_general_char.Peak_ID _Spectral_transition_general_char.Intensity_val _Spectral_transition_general_char.Intensity_val_err _Spectral_transition_general_char.Measurement_method _Spectral_transition_general_char.Entry_ID _Spectral_transition_general_char.Spectral_peak_list_ID 1 . 70174.60 . 'relative height' bmse001303 5 2 . 69537.32 . 'relative height' bmse001303 5 3 . 93881.39 . 'relative height' bmse001303 5 4 . 73755.05 . 'relative height' bmse001303 5 5 . 114052.15 . 'relative height' bmse001303 5 6 . 115591.06 . 'relative height' bmse001303 5 7 . 292209.81 . 'relative height' bmse001303 5 8 . 64414.76 . 'relative height' bmse001303 5 9 . 154208.02 . 'relative height' bmse001303 5 10 . 67580.17 . 'relative height' bmse001303 5 11 . 85974.16 . 'relative height' bmse001303 5 12 . 38977.75 . 'relative height' bmse001303 5 13 . 50588.09 . 'relative height' bmse001303 5 14 . 31430.77 . 'relative height' bmse001303 5 15 . 54975.64 . 'relative height' bmse001303 5 16 . 46164.96 . 'relative height' bmse001303 5 17 . 25280.21 . 'relative height' bmse001303 5 18 . 36888.17 . 'relative height' bmse001303 5 19 . 65275.79 . 'relative height' bmse001303 5 20 . 32326.49 . 'relative height' bmse001303 5 21 . 33480.56 . 'relative height' bmse001303 5 stop_ loop_ _Spectral_transition_char.Spectral_transition_ID _Spectral_transition_char.Peak_ID _Spectral_transition_char.Spectral_dim_ID _Spectral_transition_char.Chem_shift_val _Spectral_transition_char.Chem_shift_val_err _Spectral_transition_char.Line_width_val _Spectral_transition_char.Line_width_val_err _Spectral_transition_char.Phase_val _Spectral_transition_char.Phase_val_err _Spectral_transition_char.Decay_rate_val _Spectral_transition_char.Decay_rate_val_err _Spectral_transition_char.Bounding_box_upper_val _Spectral_transition_char.Bounding_box_lower_val _Spectral_transition_char.Bounding_box_width_val _Spectral_transition_char.Derivation_method_ID _Spectral_transition_char.Entry_ID _Spectral_transition_char.Spectral_peak_list_ID 1 . 1 121.4096 . . . . . . . . . . . bmse001303 5 1 . 2 7.1651 . . . . . . . . . . . bmse001303 5 2 . 1 119.4245 . . . . . . . . . . . bmse001303 5 2 . 2 7.1074 . . . . . . . . . . . bmse001303 5 3 . 1 117.9712 . . . . . . . . . . . bmse001303 5 3 . 2 7.4835 . . . . . . . . . . . bmse001303 5 4 . 1 111.5196 . . . . . . . . . . . bmse001303 5 4 . 2 7.4119 . . . . . . . . . . . bmse001303 5 5 . 1 67.2814 . . . . . . . . . . . bmse001303 5 5 . 2 4.2139 . . . . . . . . . . . bmse001303 5 6 . 1 54.1607 . . . . . . . . . . . bmse001303 5 6 . 2 4.4736 . . . . . . . . . . . bmse001303 5 7 . 1 51.8789 . . . . . . . . . . . bmse001303 5 7 . 2 3.7908 . . . . . . . . . . . bmse001303 5 8 . 1 52.0002 . . . . . . . . . . . bmse001303 5 8 . 2 2.2835 . . . . . . . . . . . bmse001303 5 9 . 1 50.9895 . . . . . . . . . . . bmse001303 5 9 . 2 3.2884 . . . . . . . . . . . bmse001303 5 10 . 1 51.1916 . . . . . . . . . . . bmse001303 5 10 . 2 2.5154 . . . . . . . . . . . bmse001303 5 11 . 1 51.2017 . . . . . . . . . . . bmse001303 5 11 . 2 2.5863 . . . . . . . . . . . bmse001303 5 12 . 1 40.2203 . . . . . . . . . . . bmse001303 5 12 . 2 1.4112 . . . . . . . . . . . bmse001303 5 13 . 1 32.4525 . . . . . . . . . . . bmse001303 5 13 . 2 2.1762 . . . . . . . . . . . bmse001303 5 14 . 1 32.5024 . . . . . . . . . . . bmse001303 5 14 . 2 1.6554 . . . . . . . . . . . bmse001303 5 15 . 1 31.5538 . . . . . . . . . . . bmse001303 5 15 . 2 1.8637 . . . . . . . . . . . bmse001303 5 16 . 1 31.5538 . . . . . . . . . . . bmse001303 5 16 . 2 1.5458 . . . . . . . . . . . bmse001303 5 17 . 1 31.5038 . . . . . . . . . . . bmse001303 5 17 . 2 1.6280 . . . . . . . . . . . bmse001303 5 18 . 1 23.0163 . . . . . . . . . . . bmse001303 5 18 . 2 1.2498 . . . . . . . . . . . bmse001303 5 19 . 1 23.0163 . . . . . . . . . . . bmse001303 5 19 . 2 1.3046 . . . . . . . . . . . bmse001303 5 20 . 1 17.1249 . . . . . . . . . . . bmse001303 5 20 . 2 2.5708 . . . . . . . . . . . bmse001303 5 21 . 1 17.0750 . . . . . . . . . . . bmse001303 5 21 . 2 3.0148 . . . . . . . . . . . bmse001303 5 stop_ save_