######################### # 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 bmse001306 _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 . . . . . . bmse001306 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 . . bmse001306 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 . . . bmse001306 1 2 . . . bmse001306 1 3 . . . bmse001306 1 4 . . . bmse001306 1 5 . . . bmse001306 1 6 . . . bmse001306 1 7 . . . bmse001306 1 8 . . . bmse001306 1 9 . . . bmse001306 1 10 . . . bmse001306 1 11 . . . bmse001306 1 12 . . . bmse001306 1 13 . . . bmse001306 1 14 . . . bmse001306 1 15 . . . bmse001306 1 16 . . . bmse001306 1 17 . . . bmse001306 1 18 . . . bmse001306 1 19 . . . bmse001306 1 20 . . . bmse001306 1 21 . . . bmse001306 1 22 . . . bmse001306 1 23 . . . bmse001306 1 24 . . . bmse001306 1 25 . . . bmse001306 1 26 . . . bmse001306 1 27 . . . bmse001306 1 28 . . . bmse001306 1 29 . . . bmse001306 1 30 . . . bmse001306 1 31 . . . bmse001306 1 32 . . . bmse001306 1 33 . . . bmse001306 1 34 . . . bmse001306 1 35 . . . bmse001306 1 36 . . . bmse001306 1 37 . . . bmse001306 1 38 . . . bmse001306 1 39 . . . bmse001306 1 40 . . . bmse001306 1 41 . . . bmse001306 1 42 . . . bmse001306 1 43 . . . bmse001306 1 44 . . . bmse001306 1 45 . . . bmse001306 1 46 . . . bmse001306 1 47 . . . bmse001306 1 48 . . . bmse001306 1 49 . . . bmse001306 1 50 . . . bmse001306 1 51 . . . bmse001306 1 52 . . . bmse001306 1 53 . . . bmse001306 1 54 . . . bmse001306 1 55 . . . bmse001306 1 56 . . . bmse001306 1 57 . . . bmse001306 1 58 . . . bmse001306 1 59 . . . bmse001306 1 60 . . . bmse001306 1 61 . . . bmse001306 1 62 . . . bmse001306 1 63 . . . bmse001306 1 64 . . . bmse001306 1 65 . . . bmse001306 1 66 . . . bmse001306 1 67 . . . bmse001306 1 68 . . . bmse001306 1 69 . . . bmse001306 1 70 . . . bmse001306 1 71 . . . bmse001306 1 72 . . . bmse001306 1 73 . . . bmse001306 1 74 . . . bmse001306 1 75 . . . bmse001306 1 76 . . . bmse001306 1 77 . . . bmse001306 1 78 . . . bmse001306 1 79 . . . bmse001306 1 80 . . . bmse001306 1 81 . . . bmse001306 1 82 . . . bmse001306 1 83 . . . bmse001306 1 84 . . . bmse001306 1 85 . . . bmse001306 1 86 . . . bmse001306 1 87 . . . bmse001306 1 88 . . . bmse001306 1 89 . . . bmse001306 1 90 . . . bmse001306 1 91 . . . bmse001306 1 92 . . . bmse001306 1 93 . . . bmse001306 1 94 . . . bmse001306 1 95 . . . bmse001306 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 . 2.64 . 'relative height' bmse001306 1 2 . 3.71 . 'relative height' bmse001306 1 3 . 2.25 . 'relative height' bmse001306 1 4 . 3.12 . 'relative height' bmse001306 1 5 . 5.14 . 'relative height' bmse001306 1 6 . 3.64 . 'relative height' bmse001306 1 7 . 3.97 . 'relative height' bmse001306 1 8 . 1.83 . 'relative height' bmse001306 1 9 . 2.29 . 'relative height' bmse001306 1 10 . 4.47 . 'relative height' bmse001306 1 11 . 2.40 . 'relative height' bmse001306 1 12 . 4.10 . 'relative height' bmse001306 1 13 . 3.26 . 'relative height' bmse001306 1 14 . 2.64 . 'relative height' bmse001306 1 15 . 4.78 . 'relative height' bmse001306 1 16 . 2.67 . 'relative height' bmse001306 1 17 . 3.24 . 'relative height' bmse001306 1 18 . 2.15 . 'relative height' bmse001306 1 19 . 2.02 . 'relative height' bmse001306 1 20 . 0.77 . 'relative height' bmse001306 1 21 . 15.00 . 'relative height' bmse001306 1 22 . 0.42 . 'relative height' bmse001306 1 23 . 0.52 . 'relative height' bmse001306 1 24 . 0.54 . 'relative height' bmse001306 1 25 . 0.85 . 'relative height' bmse001306 1 26 . 0.67 . 'relative height' bmse001306 1 27 . 0.62 . 'relative height' bmse001306 1 28 . 0.58 . 'relative height' bmse001306 1 29 . 0.46 . 'relative height' bmse001306 1 30 . 0.68 . 'relative height' bmse001306 1 31 . 1.04 . 'relative height' bmse001306 1 32 . 1.16 . 'relative height' bmse001306 1 33 . 0.98 . 'relative height' bmse001306 1 34 . 0.60 . 'relative height' bmse001306 1 35 . 0.33 . 'relative height' bmse001306 1 36 . 0.55 . 'relative height' bmse001306 1 37 . 0.60 . 'relative height' bmse001306 1 38 . 0.70 . 'relative height' bmse001306 1 39 . 0.81 . 'relative height' bmse001306 1 40 . 0.48 . 'relative height' bmse001306 1 41 . 0.50 . 'relative height' bmse001306 1 42 . 0.39 . 'relative height' bmse001306 1 43 . 0.37 . 'relative height' bmse001306 1 44 . 0.66 . 'relative height' bmse001306 1 45 . 0.90 . 'relative height' bmse001306 1 46 . 1.06 . 'relative height' bmse001306 1 47 . 0.89 . 'relative height' bmse001306 1 48 . 0.62 . 'relative height' bmse001306 1 49 . 0.30 . 'relative height' bmse001306 1 50 . 0.48 . 'relative height' bmse001306 1 51 . 1.19 . 'relative height' bmse001306 1 52 . 1.60 . 'relative height' bmse001306 1 53 . 1.22 . 'relative height' bmse001306 1 54 . 0.62 . 'relative height' bmse001306 1 55 . 2.40 . 'relative height' bmse001306 1 56 . 4.13 . 'relative height' bmse001306 1 57 . 5.61 . 'relative height' bmse001306 1 58 . 3.87 . 'relative height' bmse001306 1 59 . 1.87 . 'relative height' bmse001306 1 60 . 1.01 . 'relative height' bmse001306 1 61 . 1.11 . 'relative height' bmse001306 1 62 . 1.84 . 'relative height' bmse001306 1 63 . 1.58 . 'relative height' bmse001306 1 64 . 1.58 . 'relative height' bmse001306 1 65 . 1.62 . 'relative height' bmse001306 1 66 . 1.03 . 'relative height' bmse001306 1 67 . 0.97 . 'relative height' bmse001306 1 68 . 0.18 . 'relative height' bmse001306 1 69 . 0.32 . 'relative height' bmse001306 1 70 . 0.41 . 'relative height' bmse001306 1 71 . 0.64 . 'relative height' bmse001306 1 72 . 0.84 . 'relative height' bmse001306 1 73 . 1.14 . 'relative height' bmse001306 1 74 . 1.21 . 'relative height' bmse001306 1 75 . 0.97 . 'relative height' bmse001306 1 76 . 0.87 . 'relative height' bmse001306 1 77 . 0.60 . 'relative height' bmse001306 1 78 . 0.25 . 'relative height' bmse001306 1 79 . 0.25 . 'relative height' bmse001306 1 80 . 0.20 . 'relative height' bmse001306 1 81 . 0.55 . 'relative height' bmse001306 1 82 . 1.03 . 'relative height' bmse001306 1 83 . 0.92 . 'relative height' bmse001306 1 84 . 0.82 . 'relative height' bmse001306 1 85 . 1.46 . 'relative height' bmse001306 1 86 . 10.01 . 'relative height' bmse001306 1 87 . 10.02 . 'relative height' bmse001306 1 88 . 9.92 . 'relative height' bmse001306 1 89 . 9.04 . 'relative height' bmse001306 1 90 . 0.73 . 'relative height' bmse001306 1 91 . 1.28 . 'relative height' bmse001306 1 92 . 0.83 . 'relative height' bmse001306 1 93 . 0.67 . 'relative height' bmse001306 1 94 . 0.96 . 'relative height' bmse001306 1 95 . 0.53 . 'relative height' bmse001306 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 7.2973 . . . . . . . . . . . bmse001306 1 2 . 1 7.2820 . . . . . . . . . . . bmse001306 1 3 . 1 7.2400 . . . . . . . . . . . bmse001306 1 4 . 1 7.2287 . . . . . . . . . . . bmse001306 1 5 . 1 7.2229 . . . . . . . . . . . bmse001306 1 6 . 1 7.2115 . . . . . . . . . . . bmse001306 1 7 . 1 7.2080 . . . . . . . . . . . bmse001306 1 8 . 1 7.1913 . . . . . . . . . . . bmse001306 1 9 . 1 7.1300 . . . . . . . . . . . bmse001306 1 10 . 1 7.1160 . . . . . . . . . . . bmse001306 1 11 . 1 7.0980 . . . . . . . . . . . bmse001306 1 12 . 1 7.0836 . . . . . . . . . . . bmse001306 1 13 . 1 7.0757 . . . . . . . . . . . bmse001306 1 14 . 1 7.0686 . . . . . . . . . . . bmse001306 1 15 . 1 7.0582 . . . . . . . . . . . bmse001306 1 16 . 1 7.0453 . . . . . . . . . . . bmse001306 1 17 . 1 7.0407 . . . . . . . . . . . bmse001306 1 18 . 1 7.0315 . . . . . . . . . . . bmse001306 1 19 . 1 7.0228 . . . . . . . . . . . bmse001306 1 20 . 1 7.0081 . . . . . . . . . . . bmse001306 1 21 . 1 4.9057 . . . . . . . . . . . bmse001306 1 22 . 1 4.0974 . . . . . . . . . . . bmse001306 1 23 . 1 4.0867 . . . . . . . . . . . bmse001306 1 24 . 1 4.0755 . . . . . . . . . . . bmse001306 1 25 . 1 4.0676 . . . . . . . . . . . bmse001306 1 26 . 1 4.0572 . . . . . . . . . . . bmse001306 1 27 . 1 4.0474 . . . . . . . . . . . bmse001306 1 28 . 1 4.0361 . . . . . . . . . . . bmse001306 1 29 . 1 4.0275 . . . . . . . . . . . bmse001306 1 30 . 1 4.0187 . . . . . . . . . . . bmse001306 1 31 . 1 4.0107 . . . . . . . . . . . bmse001306 1 32 . 1 4.0022 . . . . . . . . . . . bmse001306 1 33 . 1 3.9940 . . . . . . . . . . . bmse001306 1 34 . 1 3.9858 . . . . . . . . . . . bmse001306 1 35 . 1 3.9770 . . . . . . . . . . . bmse001306 1 36 . 1 3.9310 . . . . . . . . . . . bmse001306 1 37 . 1 3.9196 . . . . . . . . . . . bmse001306 1 38 . 1 3.9101 . . . . . . . . . . . bmse001306 1 39 . 1 3.8996 . . . . . . . . . . . bmse001306 1 40 . 1 3.8914 . . . . . . . . . . . bmse001306 1 41 . 1 3.8806 . . . . . . . . . . . bmse001306 1 42 . 1 3.8697 . . . . . . . . . . . bmse001306 1 43 . 1 3.6728 . . . . . . . . . . . bmse001306 1 44 . 1 3.6644 . . . . . . . . . . . bmse001306 1 45 . 1 3.6565 . . . . . . . . . . . bmse001306 1 46 . 1 3.6489 . . . . . . . . . . . bmse001306 1 47 . 1 3.6407 . . . . . . . . . . . bmse001306 1 48 . 1 3.6325 . . . . . . . . . . . bmse001306 1 49 . 1 3.6238 . . . . . . . . . . . bmse001306 1 50 . 1 3.3804 . . . . . . . . . . . bmse001306 1 51 . 1 3.3663 . . . . . . . . . . . bmse001306 1 52 . 1 3.3522 . . . . . . . . . . . bmse001306 1 53 . 1 3.3380 . . . . . . . . . . . bmse001306 1 54 . 1 3.3237 . . . . . . . . . . . bmse001306 1 55 . 1 3.3096 . . . . . . . . . . . bmse001306 1 56 . 1 3.3063 . . . . . . . . . . . bmse001306 1 57 . 1 3.3031 . . . . . . . . . . . bmse001306 1 58 . 1 3.2998 . . . . . . . . . . . bmse001306 1 59 . 1 3.2965 . . . . . . . . . . . bmse001306 1 60 . 1 2.3310 . . . . . . . . . . . bmse001306 1 61 . 1 2.3232 . . . . . . . . . . . bmse001306 1 62 . 1 2.3001 . . . . . . . . . . . bmse001306 1 63 . 1 2.2925 . . . . . . . . . . . bmse001306 1 64 . 1 2.2386 . . . . . . . . . . . bmse001306 1 65 . 1 2.2216 . . . . . . . . . . . bmse001306 1 66 . 1 2.2077 . . . . . . . . . . . bmse001306 1 67 . 1 2.1908 . . . . . . . . . . . bmse001306 1 68 . 1 1.7282 . . . . . . . . . . . bmse001306 1 69 . 1 1.7179 . . . . . . . . . . . bmse001306 1 70 . 1 1.7079 . . . . . . . . . . . bmse001306 1 71 . 1 1.7003 . . . . . . . . . . . bmse001306 1 72 . 1 1.6906 . . . . . . . . . . . bmse001306 1 73 . 1 1.6809 . . . . . . . . . . . bmse001306 1 74 . 1 1.6694 . . . . . . . . . . . bmse001306 1 75 . 1 1.6601 . . . . . . . . . . . bmse001306 1 76 . 1 1.6550 . . . . . . . . . . . bmse001306 1 77 . 1 1.6331 . . . . . . . . . . . bmse001306 1 78 . 1 1.6213 . . . . . . . . . . . bmse001306 1 79 . 1 1.6174 . . . . . . . . . . . bmse001306 1 80 . 1 1.6057 . . . . . . . . . . . bmse001306 1 81 . 1 1.5521 . . . . . . . . . . . bmse001306 1 82 . 1 1.5350 . . . . . . . . . . . bmse001306 1 83 . 1 1.5238 . . . . . . . . . . . bmse001306 1 84 . 1 1.5179 . . . . . . . . . . . bmse001306 1 85 . 1 1.5069 . . . . . . . . . . . bmse001306 1 86 . 1 1.4797 . . . . . . . . . . . bmse001306 1 87 . 1 1.4754 . . . . . . . . . . . bmse001306 1 88 . 1 1.4656 . . . . . . . . . . . bmse001306 1 89 . 1 1.4613 . . . . . . . . . . . bmse001306 1 90 . 1 1.3932 . . . . . . . . . . . bmse001306 1 91 . 1 1.3845 . . . . . . . . . . . bmse001306 1 92 . 1 1.3756 . . . . . . . . . . . bmse001306 1 93 . 1 1.3653 . . . . . . . . . . . bmse001306 1 94 . 1 1.3565 . . . . . . . . . . . bmse001306 1 95 . 1 1.3477 . . . . . . . . . . . bmse001306 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 bmse001306 _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 . . . . . . bmse001306 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 . . bmse001306 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 . . . bmse001306 2 2 . . . bmse001306 2 3 . . . bmse001306 2 4 . . . bmse001306 2 5 . . . bmse001306 2 6 . . . bmse001306 2 7 . . . bmse001306 2 8 . . . bmse001306 2 9 . . . bmse001306 2 10 . . . bmse001306 2 11 . . . bmse001306 2 12 . . . bmse001306 2 13 . . . bmse001306 2 14 . . . bmse001306 2 15 . . . bmse001306 2 16 . . . bmse001306 2 17 . . . bmse001306 2 18 . . . bmse001306 2 19 . . . bmse001306 2 20 . . . bmse001306 2 21 . . . bmse001306 2 22 . . . bmse001306 2 23 . . . bmse001306 2 24 . . . bmse001306 2 25 . . . bmse001306 2 26 . . . bmse001306 2 27 . . . bmse001306 2 28 . . . bmse001306 2 29 . . . bmse001306 2 30 . . . bmse001306 2 31 . . . bmse001306 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 . 0.17 . 'relative height' bmse001306 2 2 . 0.13 . 'relative height' bmse001306 2 3 . 0.06 . 'relative height' bmse001306 2 4 . 0.10 . 'relative height' bmse001306 2 5 . 0.14 . 'relative height' bmse001306 2 6 . 0.18 . 'relative height' bmse001306 2 7 . 0.14 . 'relative height' bmse001306 2 8 . 0.22 . 'relative height' bmse001306 2 9 . 0.20 . 'relative height' bmse001306 2 10 . 0.44 . 'relative height' bmse001306 2 11 . 0.08 . 'relative height' bmse001306 2 12 . 0.08 . 'relative height' bmse001306 2 13 . 0.58 . 'relative height' bmse001306 2 14 . 0.15 . 'relative height' bmse001306 2 15 . 0.44 . 'relative height' bmse001306 2 16 . 0.16 . 'relative height' bmse001306 2 17 . 0.17 . 'relative height' bmse001306 2 18 . 0.17 . 'relative height' bmse001306 2 19 . 0.57 . 'relative height' bmse001306 2 20 . 0.13 . 'relative height' bmse001306 2 21 . 0.21 . 'relative height' bmse001306 2 22 . 0.21 . 'relative height' bmse001306 2 23 . 0.22 . 'relative height' bmse001306 2 24 . 0.24 . 'relative height' bmse001306 2 25 . 0.17 . 'relative height' bmse001306 2 26 . 0.16 . 'relative height' bmse001306 2 27 . 0.17 . 'relative height' bmse001306 2 28 . 0.17 . 'relative height' bmse001306 2 29 . 0.24 . 'relative height' bmse001306 2 30 . 0.32 . 'relative height' bmse001306 2 31 . 0.33 . 'relative height' bmse001306 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 . 1 181.9876 . . . . . . . . . . . bmse001306 2 2 . 1 169.5744 . . . . . . . . . . . bmse001306 2 3 . 1 164.8044 . . . . . . . . . . . bmse001306 2 4 . 1 162.8436 . . . . . . . . . . . bmse001306 2 5 . 1 139.8577 . . . . . . . . . . . bmse001306 2 6 . 1 138.9879 . . . . . . . . . . . bmse001306 2 7 . 1 136.3530 . . . . . . . . . . . bmse001306 2 8 . 1 134.8128 . . . . . . . . . . . bmse001306 2 9 . 1 134.7472 . . . . . . . . . . . bmse001306 2 10 . 1 130.9451 . . . . . . . . . . . bmse001306 2 11 . 1 130.2742 . . . . . . . . . . . bmse001306 2 12 . 1 130.2477 . . . . . . . . . . . bmse001306 2 13 . 1 129.6483 . . . . . . . . . . . bmse001306 2 14 . 1 129.5879 . . . . . . . . . . . bmse001306 2 15 . 1 128.9120 . . . . . . . . . . . bmse001306 2 16 . 1 126.9014 . . . . . . . . . . . bmse001306 2 17 . 1 125.1842 . . . . . . . . . . . bmse001306 2 18 . 1 123.3267 . . . . . . . . . . . bmse001306 2 19 . 1 121.5037 . . . . . . . . . . . bmse001306 2 20 . 1 118.1507 . . . . . . . . . . . bmse001306 2 21 . 1 116.4642 . . . . . . . . . . . bmse001306 2 22 . 1 116.2915 . . . . . . . . . . . bmse001306 2 23 . 1 69.0092 . . . . . . . . . . . bmse001306 2 24 . 1 68.9521 . . . . . . . . . . . bmse001306 2 25 . 1 44.9658 . . . . . . . . . . . bmse001306 2 26 . 1 44.0429 . . . . . . . . . . . bmse001306 2 27 . 1 42.2113 . . . . . . . . . . . bmse001306 2 28 . 1 40.5309 . . . . . . . . . . . bmse001306 2 29 . 1 27.6517 . . . . . . . . . . . bmse001306 2 30 . 1 22.8741 . . . . . . . . . . . bmse001306 2 31 . 1 22.8480 . . . . . . . . . . . bmse001306 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 . . . . 28 181.9876 1 . 1 1 1 BMET001306 C28 . . . bmse001306 2 23 1 . . . . 26 69.0092 1 . 1 1 1 BMET001306 C26 . . . bmse001306 2 24 1 . . . . 27 68.9521 1 . 1 1 1 BMET001306 C27 . . . bmse001306 2 25 1 . . . . 20 44.9658 1 . 1 1 1 BMET001306 C20 . . . bmse001306 2 26 1 . . . . 19 44.0429 1 . 1 1 1 BMET001306 C19 . . . bmse001306 2 27 1 . . . . 18 42.2113 1 . 1 1 1 BMET001306 C18 . . . bmse001306 2 28 1 . . . . 17 40.5309 1 . 1 1 1 BMET001306 C17 . . . bmse001306 2 29 1 . . . . 21 27.6517 1 . 1 1 1 BMET001306 C21 . . . bmse001306 2 30 1 . . . . 1 22.8741 1 . 1 1 1 BMET001306 C1 . . . bmse001306 2 31 1 . . . . 2 22.8480 1 . 1 1 1 BMET001306 C2 . . . bmse001306 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 bmse001306 _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 . . . . . . bmse001306 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 . . bmse001306 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 . . . bmse001306 3 2 . . . bmse001306 3 3 . . . bmse001306 3 4 . . . bmse001306 3 5 . . . bmse001306 3 6 . . . bmse001306 3 7 . . . bmse001306 3 8 . . . bmse001306 3 9 . . . bmse001306 3 10 . . . bmse001306 3 11 . . . bmse001306 3 12 . . . bmse001306 3 13 . . . bmse001306 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 . 7.48 . 'relative height' bmse001306 3 2 . 7.50 . 'relative height' bmse001306 3 3 . 14.76 . 'relative height' bmse001306 3 4 . 15.00 . 'relative height' bmse001306 3 5 . 14.74 . 'relative height' bmse001306 3 6 . 5.78 . 'relative height' bmse001306 3 7 . 6.25 . 'relative height' bmse001306 3 8 . 14.07 . 'relative height' bmse001306 3 9 . 7.38 . 'relative height' bmse001306 3 10 . 7.25 . 'relative height' bmse001306 3 11 . 7.99 . 'relative height' bmse001306 3 12 . 8.95 . 'relative height' bmse001306 3 13 . 7.97 . 'relative height' bmse001306 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 . 1 134.8022 . . . . . . . . . . . bmse001306 3 2 . 1 134.7374 . . . . . . . . . . . bmse001306 3 3 . 1 130.9351 . . . . . . . . . . . bmse001306 3 4 . 1 129.6398 . . . . . . . . . . . bmse001306 3 5 . 1 128.9030 . . . . . . . . . . . bmse001306 3 6 . 1 126.8917 . . . . . . . . . . . bmse001306 3 7 . 1 125.1741 . . . . . . . . . . . bmse001306 3 8 . 1 121.4930 . . . . . . . . . . . bmse001306 3 9 . 1 116.4535 . . . . . . . . . . . bmse001306 3 10 . 1 116.2812 . . . . . . . . . . . bmse001306 3 11 . 1 68.9974 . . . . . . . . . . . bmse001306 3 12 . 1 68.9412 . . . . . . . . . . . bmse001306 3 13 . 1 27.6405 . . . . . . . . . . . bmse001306 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 bmse001306 _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 . . . . . . bmse001306 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 . . bmse001306 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 . . . bmse001306 4 2 . . . bmse001306 4 3 . . . bmse001306 4 4 . . . bmse001306 4 5 . . . bmse001306 4 6 . . . bmse001306 4 7 . . . bmse001306 4 8 . . . bmse001306 4 9 . . . bmse001306 4 10 . . . bmse001306 4 11 . . . bmse001306 4 12 . . . bmse001306 4 13 . . . bmse001306 4 14 . . . bmse001306 4 15 . . . bmse001306 4 16 . . . bmse001306 4 17 . . . bmse001306 4 18 . . . bmse001306 4 19 . . . bmse001306 4 20 . . . bmse001306 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 . 0.42 . 'relative height' bmse001306 4 2 . 6.69 . 'relative height' bmse001306 4 3 . 6.47 . 'relative height' bmse001306 4 4 . 13.76 . 'relative height' bmse001306 4 5 . 15.00 . 'relative height' bmse001306 4 6 . 13.89 . 'relative height' bmse001306 4 7 . 4.65 . 'relative height' bmse001306 4 8 . 5.29 . 'relative height' bmse001306 4 9 . 12.39 . 'relative height' bmse001306 4 10 . 6.81 . 'relative height' bmse001306 4 11 . 6.44 . 'relative height' bmse001306 4 12 . 7.40 . 'relative height' bmse001306 4 13 . 7.94 . 'relative height' bmse001306 4 14 . -6.75 . 'relative height' bmse001306 4 15 . -5.90 . 'relative height' bmse001306 4 16 . -6.82 . 'relative height' bmse001306 4 17 . -6.96 . 'relative height' bmse001306 4 18 . 7.71 . 'relative height' bmse001306 4 19 . 10.62 . 'relative height' bmse001306 4 20 . 11.55 . 'relative height' bmse001306 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 . 1 138.9843 . . . . . . . . . . . bmse001306 4 2 . 1 134.8075 . . . . . . . . . . . bmse001306 4 3 . 1 134.7426 . . . . . . . . . . . bmse001306 4 4 . 1 130.9404 . . . . . . . . . . . bmse001306 4 5 . 1 129.6457 . . . . . . . . . . . bmse001306 4 6 . 1 128.9087 . . . . . . . . . . . bmse001306 4 7 . 1 126.8976 . . . . . . . . . . . bmse001306 4 8 . 1 125.1801 . . . . . . . . . . . bmse001306 4 9 . 1 121.4992 . . . . . . . . . . . bmse001306 4 10 . 1 116.4592 . . . . . . . . . . . bmse001306 4 11 . 1 116.2866 . . . . . . . . . . . bmse001306 4 12 . 1 69.0044 . . . . . . . . . . . bmse001306 4 13 . 1 68.9489 . . . . . . . . . . . bmse001306 4 14 . 1 44.9623 . . . . . . . . . . . bmse001306 4 15 . 1 44.0397 . . . . . . . . . . . bmse001306 4 16 . 1 42.2065 . . . . . . . . . . . bmse001306 4 17 . 1 40.5276 . . . . . . . . . . . bmse001306 4 18 . 1 27.6495 . . . . . . . . . . . bmse001306 4 19 . 1 22.8718 . . . . . . . . . . . bmse001306 4 20 . 1 22.8447 . . . . . . . . . . . bmse001306 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 bmse001306 _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 . . . . . . bmse001306 5 2 . . H 1 'Full H' . . 12.99 ppm . . . . . . bmse001306 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 . . bmse001306 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 . . . bmse001306 5 2 . . . bmse001306 5 3 . . . bmse001306 5 4 . . . bmse001306 5 5 . . . bmse001306 5 6 . . . bmse001306 5 7 . . . bmse001306 5 8 . . . bmse001306 5 9 . . . bmse001306 5 10 . . . bmse001306 5 11 . . . bmse001306 5 12 . . . bmse001306 5 13 . . . bmse001306 5 14 . . . bmse001306 5 15 . . . bmse001306 5 16 . . . bmse001306 5 17 . . . bmse001306 5 18 . . . bmse001306 5 19 . . . bmse001306 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 . 64469.09 . 'relative height' bmse001306 5 2 . 93346.23 . 'relative height' bmse001306 5 3 . 67190.82 . 'relative height' bmse001306 5 4 . 67459.02 . 'relative height' bmse001306 5 5 . 27541.29 . 'relative height' bmse001306 5 6 . 30081.16 . 'relative height' bmse001306 5 7 . 64821.93 . 'relative height' bmse001306 5 8 . 72236.66 . 'relative height' bmse001306 5 9 . 49904.15 . 'relative height' bmse001306 5 10 . 50745.73 . 'relative height' bmse001306 5 11 . 29755.90 . 'relative height' bmse001306 5 12 . 26596.02 . 'relative height' bmse001306 5 13 . 17994.04 . 'relative height' bmse001306 5 14 . 19223.61 . 'relative height' bmse001306 5 15 . 24853.07 . 'relative height' bmse001306 5 16 . 27227.61 . 'relative height' bmse001306 5 17 . 36073.87 . 'relative height' bmse001306 5 18 . 22225.36 . 'relative height' bmse001306 5 19 . 203851.94 . 'relative height' bmse001306 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 . 1 134.6330 . . . . . . . . . . . bmse001306 5 1 . 2 7.2239 . . . . . . . . . . . bmse001306 5 2 . 1 131.0008 . . . . . . . . . . . bmse001306 5 2 . 2 7.1176 . . . . . . . . . . . bmse001306 5 3 . 1 129.4995 . . . . . . . . . . . bmse001306 5 3 . 2 7.2031 . . . . . . . . . . . bmse001306 5 4 . 1 128.7246 . . . . . . . . . . . bmse001306 5 4 . 2 7.0813 . . . . . . . . . . . bmse001306 5 5 . 1 126.9812 . . . . . . . . . . . bmse001306 5 5 . 2 7.0294 . . . . . . . . . . . bmse001306 5 6 . 1 125.1893 . . . . . . . . . . . bmse001306 5 6 . 2 7.0164 . . . . . . . . . . . bmse001306 5 7 . 1 121.5571 . . . . . . . . . . . bmse001306 5 7 . 2 7.2861 . . . . . . . . . . . bmse001306 5 8 . 1 116.3752 . . . . . . . . . . . bmse001306 5 8 . 2 7.0527 . . . . . . . . . . . bmse001306 5 9 . 1 68.9551 . . . . . . . . . . . bmse001306 5 9 . 2 3.6416 . . . . . . . . . . . bmse001306 5 10 . 1 68.9032 . . . . . . . . . . . bmse001306 5 10 . 2 3.9965 . . . . . . . . . . . bmse001306 5 11 . 1 44.8608 . . . . . . . . . . . bmse001306 5 11 . 2 2.2247 . . . . . . . . . . . bmse001306 5 12 . 1 44.8608 . . . . . . . . . . . bmse001306 5 12 . 2 2.3076 . . . . . . . . . . . bmse001306 5 13 . 1 43.9815 . . . . . . . . . . . bmse001306 5 13 . 2 1.3794 . . . . . . . . . . . bmse001306 5 14 . 1 44.0167 . . . . . . . . . . . bmse001306 5 14 . 2 1.5246 . . . . . . . . . . . bmse001306 5 15 . 1 42.2229 . . . . . . . . . . . bmse001306 5 15 . 2 3.8997 . . . . . . . . . . . bmse001306 5 16 . 1 42.2229 . . . . . . . . . . . bmse001306 5 16 . 2 4.0604 . . . . . . . . . . . bmse001306 5 17 . 1 40.4468 . . . . . . . . . . . bmse001306 5 17 . 2 1.6750 . . . . . . . . . . . bmse001306 5 18 . 1 27.6171 . . . . . . . . . . . bmse001306 5 18 . 2 3.3494 . . . . . . . . . . . bmse001306 5 19 . 1 22.7817 . . . . . . . . . . . bmse001306 5 19 . 2 1.4762 . . . . . . . . . . . bmse001306 5 stop_ save_