######################### # 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 bmse001286 _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.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 . . . . . . bmse001286 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 . . bmse001286 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 . . . bmse001286 1 2 . . . bmse001286 1 3 . . . bmse001286 1 4 . . . bmse001286 1 5 . . . bmse001286 1 6 . . . bmse001286 1 7 . . . bmse001286 1 8 . . . bmse001286 1 9 . . . bmse001286 1 10 . . . bmse001286 1 11 . . . bmse001286 1 12 . . . bmse001286 1 13 . . . bmse001286 1 14 . . . bmse001286 1 15 . . . bmse001286 1 16 . . . bmse001286 1 17 . . . bmse001286 1 18 . . . bmse001286 1 19 . . . bmse001286 1 20 . . . bmse001286 1 21 . . . bmse001286 1 22 . . . bmse001286 1 23 . . . bmse001286 1 24 . . . bmse001286 1 25 . . . bmse001286 1 26 . . . bmse001286 1 27 . . . bmse001286 1 28 . . . bmse001286 1 29 . . . bmse001286 1 30 . . . bmse001286 1 31 . . . bmse001286 1 32 . . . bmse001286 1 33 . . . bmse001286 1 34 . . . bmse001286 1 35 . . . bmse001286 1 36 . . . bmse001286 1 37 . . . bmse001286 1 38 . . . bmse001286 1 39 . . . bmse001286 1 40 . . . bmse001286 1 41 . . . bmse001286 1 42 . . . bmse001286 1 43 . . . bmse001286 1 44 . . . bmse001286 1 45 . . . bmse001286 1 46 . . . bmse001286 1 47 . . . bmse001286 1 48 . . . bmse001286 1 49 . . . bmse001286 1 50 . . . bmse001286 1 51 . . . bmse001286 1 52 . . . bmse001286 1 53 . . . bmse001286 1 54 . . . bmse001286 1 55 . . . bmse001286 1 56 . . . bmse001286 1 57 . . . bmse001286 1 58 . . . bmse001286 1 59 . . . bmse001286 1 60 . . . bmse001286 1 61 . . . bmse001286 1 62 . . . bmse001286 1 63 . . . bmse001286 1 64 . . . bmse001286 1 65 . . . bmse001286 1 66 . . . bmse001286 1 67 . . . bmse001286 1 68 . . . bmse001286 1 69 . . . bmse001286 1 70 . . . bmse001286 1 71 . . . bmse001286 1 72 . . . bmse001286 1 73 . . . bmse001286 1 74 . . . bmse001286 1 75 . . . bmse001286 1 76 . . . bmse001286 1 77 . . . bmse001286 1 78 . . . bmse001286 1 79 . . . bmse001286 1 80 . . . bmse001286 1 81 . . . bmse001286 1 82 . . . bmse001286 1 83 . . . bmse001286 1 84 . . . bmse001286 1 85 . . . bmse001286 1 86 . . . bmse001286 1 87 . . . bmse001286 1 88 . . . bmse001286 1 89 . . . bmse001286 1 90 . . . bmse001286 1 91 . . . bmse001286 1 92 . . . bmse001286 1 93 . . . bmse001286 1 94 . . . bmse001286 1 95 . . . bmse001286 1 96 . . . bmse001286 1 97 . . . bmse001286 1 98 . . . bmse001286 1 99 . . . bmse001286 1 100 . . . bmse001286 1 101 . . . bmse001286 1 102 . . . bmse001286 1 103 . . . bmse001286 1 104 . . . bmse001286 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 . 1.37 . 'relative height' bmse001286 1 2 . 2.33 . 'relative height' bmse001286 1 3 . 1.26 . 'relative height' bmse001286 1 4 . 5.70 . 'relative height' bmse001286 1 5 . 1.55 . 'relative height' bmse001286 1 6 . 1.84 . 'relative height' bmse001286 1 7 . 1.27 . 'relative height' bmse001286 1 8 . 1.82 . 'relative height' bmse001286 1 9 . 1.90 . 'relative height' bmse001286 1 10 . 1.84 . 'relative height' bmse001286 1 11 . 0.53 . 'relative height' bmse001286 1 12 . 1.57 . 'relative height' bmse001286 1 13 . 1.57 . 'relative height' bmse001286 1 14 . 0.52 . 'relative height' bmse001286 1 15 . 0.34 . 'relative height' bmse001286 1 16 . 0.39 . 'relative height' bmse001286 1 17 . 0.42 . 'relative height' bmse001286 1 18 . 0.67 . 'relative height' bmse001286 1 19 . 0.50 . 'relative height' bmse001286 1 20 . 0.66 . 'relative height' bmse001286 1 21 . 0.67 . 'relative height' bmse001286 1 22 . 0.65 . 'relative height' bmse001286 1 23 . 0.63 . 'relative height' bmse001286 1 24 . 0.72 . 'relative height' bmse001286 1 25 . 0.76 . 'relative height' bmse001286 1 26 . 0.92 . 'relative height' bmse001286 1 27 . 1.31 . 'relative height' bmse001286 1 28 . 1.25 . 'relative height' bmse001286 1 29 . 0.52 . 'relative height' bmse001286 1 30 . 1.89 . 'relative height' bmse001286 1 31 . 1.69 . 'relative height' bmse001286 1 32 . 1.24 . 'relative height' bmse001286 1 33 . 1.23 . 'relative height' bmse001286 1 34 . 2.10 . 'relative height' bmse001286 1 35 . 0.99 . 'relative height' bmse001286 1 36 . 1.61 . 'relative height' bmse001286 1 37 . 1.59 . 'relative height' bmse001286 1 38 . 1.46 . 'relative height' bmse001286 1 39 . 1.76 . 'relative height' bmse001286 1 40 . 0.68 . 'relative height' bmse001286 1 41 . 0.60 . 'relative height' bmse001286 1 42 . 1.03 . 'relative height' bmse001286 1 43 . 0.64 . 'relative height' bmse001286 1 44 . 1.02 . 'relative height' bmse001286 1 45 . 0.97 . 'relative height' bmse001286 1 46 . 0.87 . 'relative height' bmse001286 1 47 . 1.05 . 'relative height' bmse001286 1 48 . 1.08 . 'relative height' bmse001286 1 49 . 1.07 . 'relative height' bmse001286 1 50 . 0.75 . 'relative height' bmse001286 1 51 . 1.00 . 'relative height' bmse001286 1 52 . 0.64 . 'relative height' bmse001286 1 53 . 0.67 . 'relative height' bmse001286 1 54 . 0.56 . 'relative height' bmse001286 1 55 . 0.35 . 'relative height' bmse001286 1 56 . 0.66 . 'relative height' bmse001286 1 57 . 0.43 . 'relative height' bmse001286 1 58 . 0.63 . 'relative height' bmse001286 1 59 . 0.97 . 'relative height' bmse001286 1 60 . 0.56 . 'relative height' bmse001286 1 61 . 0.35 . 'relative height' bmse001286 1 62 . 0.63 . 'relative height' bmse001286 1 63 . 0.56 . 'relative height' bmse001286 1 64 . 0.54 . 'relative height' bmse001286 1 65 . 0.58 . 'relative height' bmse001286 1 66 . 0.66 . 'relative height' bmse001286 1 67 . 0.65 . 'relative height' bmse001286 1 68 . 0.58 . 'relative height' bmse001286 1 69 . 0.59 . 'relative height' bmse001286 1 70 . 1.02 . 'relative height' bmse001286 1 71 . 1.72 . 'relative height' bmse001286 1 72 . 2.05 . 'relative height' bmse001286 1 73 . 0.89 . 'relative height' bmse001286 1 74 . 0.55 . 'relative height' bmse001286 1 75 . 0.56 . 'relative height' bmse001286 1 76 . 0.70 . 'relative height' bmse001286 1 77 . 0.46 . 'relative height' bmse001286 1 78 . 0.75 . 'relative height' bmse001286 1 79 . 0.70 . 'relative height' bmse001286 1 80 . 0.95 . 'relative height' bmse001286 1 81 . 1.17 . 'relative height' bmse001286 1 82 . 0.87 . 'relative height' bmse001286 1 83 . 0.89 . 'relative height' bmse001286 1 84 . 1.16 . 'relative height' bmse001286 1 85 . 1.23 . 'relative height' bmse001286 1 86 . 0.40 . 'relative height' bmse001286 1 87 . 0.66 . 'relative height' bmse001286 1 88 . 0.71 . 'relative height' bmse001286 1 89 . 1.04 . 'relative height' bmse001286 1 90 . 0.95 . 'relative height' bmse001286 1 91 . 0.46 . 'relative height' bmse001286 1 92 . 0.30 . 'relative height' bmse001286 1 93 . 0.64 . 'relative height' bmse001286 1 94 . 0.68 . 'relative height' bmse001286 1 95 . 1.15 . 'relative height' bmse001286 1 96 . 1.48 . 'relative height' bmse001286 1 97 . 14.23 . 'relative height' bmse001286 1 98 . 0.60 . 'relative height' bmse001286 1 99 . 0.69 . 'relative height' bmse001286 1 100 . 11.14 . 'relative height' bmse001286 1 101 . 10.86 . 'relative height' bmse001286 1 102 . 0.37 . 'relative height' bmse001286 1 103 . 13.73 . 'relative height' bmse001286 1 104 . 15.00 . 'relative height' bmse001286 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 7.3686 . . . . . . . . . . . bmse001286 1 2 . 1 7.3654 . . . . . . . . . . . bmse001286 1 3 . 1 7.3621 . . . . . . . . . . . bmse001286 1 4 . 1 7.2637 . . . . . . . . . . . bmse001286 1 5 . 1 7.2386 . . . . . . . . . . . bmse001286 1 6 . 1 7.2367 . . . . . . . . . . . bmse001286 1 7 . 1 7.2340 . . . . . . . . . . . bmse001286 1 8 . 1 6.2793 . . . . . . . . . . . bmse001286 1 9 . 1 6.2778 . . . . . . . . . . . bmse001286 1 10 . 1 6.2761 . . . . . . . . . . . bmse001286 1 11 . 1 2.7663 . . . . . . . . . . . bmse001286 1 12 . 1 2.7534 . . . . . . . . . . . bmse001286 1 13 . 1 2.7399 . . . . . . . . . . . bmse001286 1 14 . 1 2.7265 . . . . . . . . . . . bmse001286 1 15 . 1 2.5751 . . . . . . . . . . . bmse001286 1 16 . 1 2.5645 . . . . . . . . . . . bmse001286 1 17 . 1 2.5519 . . . . . . . . . . . bmse001286 1 18 . 1 2.5460 . . . . . . . . . . . bmse001286 1 19 . 1 2.5418 . . . . . . . . . . . bmse001286 1 20 . 1 2.5353 . . . . . . . . . . . bmse001286 1 21 . 1 2.5238 . . . . . . . . . . . bmse001286 1 22 . 1 2.5124 . . . . . . . . . . . bmse001286 1 23 . 1 2.4810 . . . . . . . . . . . bmse001286 1 24 . 1 2.4695 . . . . . . . . . . . bmse001286 1 25 . 1 2.4588 . . . . . . . . . . . bmse001286 1 26 . 1 2.4463 . . . . . . . . . . . bmse001286 1 27 . 1 2.4434 . . . . . . . . . . . bmse001286 1 28 . 1 2.4363 . . . . . . . . . . . bmse001286 1 29 . 1 2.4299 . . . . . . . . . . . bmse001286 1 30 . 1 2.4159 . . . . . . . . . . . bmse001286 1 31 . 1 2.4087 . . . . . . . . . . . bmse001286 1 32 . 1 2.3298 . . . . . . . . . . . bmse001286 1 33 . 1 2.3292 . . . . . . . . . . . bmse001286 1 34 . 1 2.3021 . . . . . . . . . . . bmse001286 1 35 . 1 2.2745 . . . . . . . . . . . bmse001286 1 36 . 1 2.0410 . . . . . . . . . . . bmse001286 1 37 . 1 2.0339 . . . . . . . . . . . bmse001286 1 38 . 1 2.0131 . . . . . . . . . . . bmse001286 1 39 . 1 2.0058 . . . . . . . . . . . bmse001286 1 40 . 1 1.9939 . . . . . . . . . . . bmse001286 1 41 . 1 1.9826 . . . . . . . . . . . bmse001286 1 42 . 1 1.9763 . . . . . . . . . . . bmse001286 1 43 . 1 1.9710 . . . . . . . . . . . bmse001286 1 44 . 1 1.9647 . . . . . . . . . . . bmse001286 1 45 . 1 1.9535 . . . . . . . . . . . bmse001286 1 46 . 1 1.9419 . . . . . . . . . . . bmse001286 1 47 . 1 1.8988 . . . . . . . . . . . bmse001286 1 48 . 1 1.8873 . . . . . . . . . . . bmse001286 1 49 . 1 1.8766 . . . . . . . . . . . bmse001286 1 50 . 1 1.8697 . . . . . . . . . . . bmse001286 1 51 . 1 1.8651 . . . . . . . . . . . bmse001286 1 52 . 1 1.8582 . . . . . . . . . . . bmse001286 1 53 . 1 1.8474 . . . . . . . . . . . bmse001286 1 54 . 1 1.8360 . . . . . . . . . . . bmse001286 1 55 . 1 1.6843 . . . . . . . . . . . bmse001286 1 56 . 1 1.6778 . . . . . . . . . . . bmse001286 1 57 . 1 1.6712 . . . . . . . . . . . bmse001286 1 58 . 1 1.6573 . . . . . . . . . . . bmse001286 1 59 . 1 1.6507 . . . . . . . . . . . bmse001286 1 60 . 1 1.6441 . . . . . . . . . . . bmse001286 1 61 . 1 1.6306 . . . . . . . . . . . bmse001286 1 62 . 1 1.6239 . . . . . . . . . . . bmse001286 1 63 . 1 1.6169 . . . . . . . . . . . bmse001286 1 64 . 1 1.6142 . . . . . . . . . . . bmse001286 1 65 . 1 1.6108 . . . . . . . . . . . bmse001286 1 66 . 1 1.6077 . . . . . . . . . . . bmse001286 1 67 . 1 1.6053 . . . . . . . . . . . bmse001286 1 68 . 1 1.6010 . . . . . . . . . . . bmse001286 1 69 . 1 1.5986 . . . . . . . . . . . bmse001286 1 70 . 1 1.5892 . . . . . . . . . . . bmse001286 1 71 . 1 1.5828 . . . . . . . . . . . bmse001286 1 72 . 1 1.5799 . . . . . . . . . . . bmse001286 1 73 . 1 1.5721 . . . . . . . . . . . bmse001286 1 74 . 1 1.5661 . . . . . . . . . . . bmse001286 1 75 . 1 1.5590 . . . . . . . . . . . bmse001286 1 76 . 1 1.5525 . . . . . . . . . . . bmse001286 1 77 . 1 1.5457 . . . . . . . . . . . bmse001286 1 78 . 1 1.5032 . . . . . . . . . . . bmse001286 1 79 . 1 1.4961 . . . . . . . . . . . bmse001286 1 80 . 1 1.4788 . . . . . . . . . . . bmse001286 1 81 . 1 1.4698 . . . . . . . . . . . bmse001286 1 82 . 1 1.4631 . . . . . . . . . . . bmse001286 1 83 . 1 1.4599 . . . . . . . . . . . bmse001286 1 84 . 1 1.4566 . . . . . . . . . . . bmse001286 1 85 . 1 1.4534 . . . . . . . . . . . bmse001286 1 86 . 1 1.4409 . . . . . . . . . . . bmse001286 1 87 . 1 1.4364 . . . . . . . . . . . bmse001286 1 88 . 1 1.4333 . . . . . . . . . . . bmse001286 1 89 . 1 1.4300 . . . . . . . . . . . bmse001286 1 90 . 1 1.4273 . . . . . . . . . . . bmse001286 1 91 . 1 1.4209 . . . . . . . . . . . bmse001286 1 92 . 1 1.2528 . . . . . . . . . . . bmse001286 1 93 . 1 1.2309 . . . . . . . . . . . bmse001286 1 94 . 1 1.2231 . . . . . . . . . . . bmse001286 1 95 . 1 1.2037 . . . . . . . . . . . bmse001286 1 96 . 1 1.1962 . . . . . . . . . . . bmse001286 1 97 . 1 1.1888 . . . . . . . . . . . bmse001286 1 98 . 1 1.1774 . . . . . . . . . . . bmse001286 1 99 . 1 1.1702 . . . . . . . . . . . bmse001286 1 100 . 1 1.1275 . . . . . . . . . . . bmse001286 1 101 . 1 1.1141 . . . . . . . . . . . bmse001286 1 102 . 1 1.1019 . . . . . . . . . . . bmse001286 1 103 . 1 0.9043 . . . . . . . . . . . bmse001286 1 104 . 1 0.8803 . . . . . . . . . . . bmse001286 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 bmse001286 _Spectral_peak_list.ID 2 _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 . . . . . . bmse001286 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 . . bmse001286 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 . . . bmse001286 2 2 . . . bmse001286 2 3 . . . bmse001286 2 4 . . . bmse001286 2 5 . . . bmse001286 2 6 . . . bmse001286 2 7 . . . bmse001286 2 8 . . . bmse001286 2 9 . . . bmse001286 2 10 . . . bmse001286 2 11 . . . bmse001286 2 12 . . . bmse001286 2 13 . . . bmse001286 2 14 . . . bmse001286 2 15 . . . bmse001286 2 16 . . . bmse001286 2 17 . . . bmse001286 2 18 . . . bmse001286 2 19 . . . bmse001286 2 20 . . . bmse001286 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 . 0.48 . 'relative height' bmse001286 2 2 . 1.02 . 'relative height' bmse001286 2 3 . 0.98 . 'relative height' bmse001286 2 4 . 0.56 . 'relative height' bmse001286 2 5 . 0.94 . 'relative height' bmse001286 2 6 . 0.75 . 'relative height' bmse001286 2 7 . 0.99 . 'relative height' bmse001286 2 8 . 1.00 . 'relative height' bmse001286 2 9 . 0.79 . 'relative height' bmse001286 2 10 . 1.06 . 'relative height' bmse001286 2 11 . 1.03 . 'relative height' bmse001286 2 12 . 1.05 . 'relative height' bmse001286 2 13 . 0.84 . 'relative height' bmse001286 2 14 . 1.00 . 'relative height' bmse001286 2 15 . 1.02 . 'relative height' bmse001286 2 16 . 1.03 . 'relative height' bmse001286 2 17 . 1.11 . 'relative height' bmse001286 2 18 . 1.03 . 'relative height' bmse001286 2 19 . 0.98 . 'relative height' bmse001286 2 20 . 1.05 . 'relative height' bmse001286 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 . 1 212.0106 . . . . . . . . . . . bmse001286 2 2 . 1 143.0881 . . . . . . . . . . . bmse001286 2 3 . 1 138.5880 . . . . . . . . . . . bmse001286 2 4 . 1 124.8236 . . . . . . . . . . . bmse001286 2 5 . 1 110.6926 . . . . . . . . . . . bmse001286 2 6 . 1 81.8099 . . . . . . . . . . . bmse001286 2 7 . 1 50.9307 . . . . . . . . . . . bmse001286 2 8 . 1 46.4833 . . . . . . . . . . . bmse001286 2 9 . 1 43.2776 . . . . . . . . . . . bmse001286 2 10 . 1 41.3045 . . . . . . . . . . . bmse001286 2 11 . 1 39.2724 . . . . . . . . . . . bmse001286 2 12 . 1 34.7197 . . . . . . . . . . . bmse001286 2 13 . 1 33.6182 . . . . . . . . . . . bmse001286 2 14 . 1 33.0905 . . . . . . . . . . . bmse001286 2 15 . 1 31.8938 . . . . . . . . . . . bmse001286 2 16 . 1 21.5717 . . . . . . . . . . . bmse001286 2 17 . 1 21.4112 . . . . . . . . . . . bmse001286 2 18 . 1 18.5108 . . . . . . . . . . . bmse001286 2 19 . 1 16.2470 . . . . . . . . . . . bmse001286 2 20 . 1 8.2750 . . . . . . . . . . . bmse001286 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 . . . . 16 212.0106 1 . 1 1 1 BMET001286 C16 . . . bmse001286 2 2 1 . . . . 11 143.0881 1 . 1 1 1 BMET001286 C11 . . . bmse001286 2 3 1 . . . . 13 138.5880 1 . 1 1 1 BMET001286 C13 . . . bmse001286 2 4 1 . . . . 15 124.8236 1 . 1 1 1 BMET001286 C15 . . . bmse001286 2 5 1 . . . . 7 110.6926 1 . 1 1 1 BMET001286 C7 . . . bmse001286 2 6 1 . . . . 20 81.8099 1 . 1 1 1 BMET001286 C20 . . . bmse001286 2 7 1 . . . . 14 50.9307 1 . 1 1 1 BMET001286 C14 . . . bmse001286 2 8 1 . . . . 17 46.4833 1 . 1 1 1 BMET001286 C17 . . . bmse001286 2 9 1 . . . . 19 43.2776 1 . 1 1 1 BMET001286 C19 . . . bmse001286 2 11 1 . . . . 12 39.2724 1 . 1 1 1 BMET001286 C12 . . . bmse001286 2 12 1 . . . . 10 34.7197 1 . 1 1 1 BMET001286 C10 . . . bmse001286 2 13 1 . . . . 18 33.6182 1 . 1 1 1 BMET001286 C18 . . . bmse001286 2 14 1 . . . . 2 33.0905 1 . 1 1 1 BMET001286 C2 . . . bmse001286 2 16 1 . . . . 6 21.5717 1 . 1 1 1 BMET001286 C6 . . . bmse001286 2 17 1 . . . . 3 21.4112 1 . 1 1 1 BMET001286 C3 . . . bmse001286 2 19 1 . . . . 4 16.2470 1 . 1 1 1 BMET001286 C4 . . . bmse001286 2 20 1 . . . . 1 8.2750 1 . 1 1 1 BMET001286 C1 . . . bmse001286 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 bmse001286 _Spectral_peak_list.ID 3 _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 . . . . . . bmse001286 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 . . bmse001286 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 . . . bmse001286 3 2 . . . bmse001286 3 3 . . . bmse001286 3 4 . . . bmse001286 3 5 . . . bmse001286 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 . 7.43 . 'relative height' bmse001286 3 2 . 6.58 . 'relative height' bmse001286 3 3 . 9.48 . 'relative height' bmse001286 3 4 . 15.00 . 'relative height' bmse001286 3 5 . 14.43 . 'relative height' bmse001286 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 . 1 143.0931 . . . . . . . . . . . bmse001286 3 2 . 1 138.5928 . . . . . . . . . . . bmse001286 3 3 . 1 110.6978 . . . . . . . . . . . bmse001286 3 4 . 1 50.9351 . . . . . . . . . . . bmse001286 3 5 . 1 46.4872 . . . . . . . . . . . bmse001286 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 bmse001286 _Spectral_peak_list.ID 4 _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 . . . . . . bmse001286 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 . . bmse001286 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 . . . bmse001286 4 2 . . . bmse001286 4 3 . . . bmse001286 4 4 . . . bmse001286 4 5 . . . bmse001286 4 6 . . . bmse001286 4 7 . . . bmse001286 4 8 . . . bmse001286 4 9 . . . bmse001286 4 10 . . . bmse001286 4 11 . . . bmse001286 4 12 . . . bmse001286 4 13 . . . bmse001286 4 14 . . . bmse001286 4 15 . . . bmse001286 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 . 4.02 . 'relative height' bmse001286 4 2 . 3.98 . 'relative height' bmse001286 4 3 . 5.36 . 'relative height' bmse001286 4 4 . 9.64 . 'relative height' bmse001286 4 5 . 8.45 . 'relative height' bmse001286 4 6 . -11.37 . 'relative height' bmse001286 4 7 . -11.32 . 'relative height' bmse001286 4 8 . -11.80 . 'relative height' bmse001286 4 9 . 14.50 . 'relative height' bmse001286 4 10 . -10.73 . 'relative height' bmse001286 4 11 . -14.27 . 'relative height' bmse001286 4 12 . 15.00 . 'relative height' bmse001286 4 13 . -9.90 . 'relative height' bmse001286 4 14 . 13.89 . 'relative height' bmse001286 4 15 . 14.89 . 'relative height' bmse001286 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 . 1 143.0866 . . . . . . . . . . . bmse001286 4 2 . 1 138.5868 . . . . . . . . . . . bmse001286 4 3 . 1 110.6919 . . . . . . . . . . . bmse001286 4 4 . 1 50.9292 . . . . . . . . . . . bmse001286 4 5 . 1 46.4799 . . . . . . . . . . . bmse001286 4 6 . 1 41.3028 . . . . . . . . . . . bmse001286 4 7 . 1 39.2708 . . . . . . . . . . . bmse001286 4 8 . 1 34.7186 . . . . . . . . . . . bmse001286 4 9 . 1 33.0879 . . . . . . . . . . . bmse001286 4 10 . 1 31.8903 . . . . . . . . . . . bmse001286 4 11 . 1 21.5690 . . . . . . . . . . . bmse001286 4 12 . 1 21.4095 . . . . . . . . . . . bmse001286 4 13 . 1 18.5086 . . . . . . . . . . . bmse001286 4 14 . 1 16.2430 . . . . . . . . . . . bmse001286 4 15 . 1 8.2720 . . . . . . . . . . . bmse001286 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 bmse001286 _Spectral_peak_list.ID 5 _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 . . . . . . bmse001286 5 2 . . H 1 'Full H' . . 12.99 ppm . . . . . . bmse001286 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 . . bmse001286 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 . . . bmse001286 5 2 . . . bmse001286 5 3 . . . bmse001286 5 4 . . . bmse001286 5 5 . . . bmse001286 5 6 . . . bmse001286 5 7 . . . bmse001286 5 8 . . . bmse001286 5 9 . . . bmse001286 5 10 . . . bmse001286 5 11 . . . bmse001286 5 12 . . . bmse001286 5 13 . . . bmse001286 5 14 . . . bmse001286 5 15 . . . bmse001286 5 16 . . . bmse001286 5 17 . . . bmse001286 5 18 . . . bmse001286 5 19 . . . bmse001286 5 20 . . . bmse001286 5 21 . . . bmse001286 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 . 51930.29 . 'relative height' bmse001286 5 2 . 60797.41 . 'relative height' bmse001286 5 3 . 113312.01 . 'relative height' bmse001286 5 4 . 146633.88 . 'relative height' bmse001286 5 5 . 115167.60 . 'relative height' bmse001286 5 6 . 69260.20 . 'relative height' bmse001286 5 7 . 104833.38 . 'relative height' bmse001286 5 8 . 127490.29 . 'relative height' bmse001286 5 9 . 103183.67 . 'relative height' bmse001286 5 10 . 100383.76 . 'relative height' bmse001286 5 11 . 90301.45 . 'relative height' bmse001286 5 12 . 416241.77 . 'relative height' bmse001286 5 13 . 88535.92 . 'relative height' bmse001286 5 14 . 82310.08 . 'relative height' bmse001286 5 15 . 483019.30 . 'relative height' bmse001286 5 16 . 84040.47 . 'relative height' bmse001286 5 17 . 84648.20 . 'relative height' bmse001286 5 18 . 100022.06 . 'relative height' bmse001286 5 19 . 57149.33 . 'relative height' bmse001286 5 20 . 361649.57 . 'relative height' bmse001286 5 21 . 286915.30 . 'relative height' bmse001286 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 . 1 143.0674 . . . . . . . . . . . bmse001286 5 1 . 2 7.3640 . . . . . . . . . . . bmse001286 5 2 . 1 138.5915 . . . . . . . . . . . bmse001286 5 2 . 2 7.2290 . . . . . . . . . . . bmse001286 5 3 . 1 110.6835 . . . . . . . . . . . bmse001286 5 3 . 2 6.2696 . . . . . . . . . . . bmse001286 5 4 . 1 50.8702 . . . . . . . . . . . bmse001286 5 4 . 2 2.7382 . . . . . . . . . . . bmse001286 5 5 . 1 46.5043 . . . . . . . . . . . bmse001286 5 5 . 2 2.0278 . . . . . . . . . . . bmse001286 5 6 . 1 39.3896 . . . . . . . . . . . bmse001286 5 6 . 2 2.3023 . . . . . . . . . . . bmse001286 5 7 . 1 39.4219 . . . . . . . . . . . bmse001286 5 7 . 2 2.4182 . . . . . . . . . . . bmse001286 5 8 . 1 41.2604 . . . . . . . . . . . bmse001286 5 8 . 2 1.4434 . . . . . . . . . . . bmse001286 5 9 . 1 41.2604 . . . . . . . . . . . bmse001286 5 9 . 2 1.2028 . . . . . . . . . . . bmse001286 5 10 . 1 34.6600 . . . . . . . . . . . bmse001286 5 10 . 2 1.8720 . . . . . . . . . . . bmse001286 5 11 . 1 34.6926 . . . . . . . . . . . bmse001286 5 11 . 2 1.9686 . . . . . . . . . . . bmse001286 5 12 . 1 33.0994 . . . . . . . . . . . bmse001286 5 12 . 2 0.8809 . . . . . . . . . . . bmse001286 5 13 . 1 31.8963 . . . . . . . . . . . bmse001286 5 13 . 2 1.4722 . . . . . . . . . . . bmse001286 5 14 . 1 31.9614 . . . . . . . . . . . bmse001286 5 14 . 2 1.5891 . . . . . . . . . . . bmse001286 5 15 . 1 21.3827 . . . . . . . . . . . bmse001286 5 15 . 2 0.8995 . . . . . . . . . . . bmse001286 5 16 . 1 21.5115 . . . . . . . . . . . bmse001286 5 16 . 2 2.4448 . . . . . . . . . . . bmse001286 5 17 . 1 21.5974 . . . . . . . . . . . bmse001286 5 17 . 2 2.5354 . . . . . . . . . . . bmse001286 5 18 . 1 18.5059 . . . . . . . . . . . bmse001286 5 18 . 2 1.5635 . . . . . . . . . . . bmse001286 5 19 . 1 18.5488 . . . . . . . . . . . bmse001286 5 19 . 2 1.6601 . . . . . . . . . . . bmse001286 5 20 . 1 16.2732 . . . . . . . . . . . bmse001286 5 20 . 2 1.1862 . . . . . . . . . . . bmse001286 5 21 . 1 8.3298 . . . . . . . . . . . bmse001286 5 21 . 2 1.1168 . . . . . . . . . . . bmse001286 5 stop_ save_