######################### # 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 bmse001273 _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 . . . . . . bmse001273 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 . . bmse001273 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 . . . bmse001273 1 2 . . . bmse001273 1 3 . . . bmse001273 1 4 . . . bmse001273 1 5 . . . bmse001273 1 6 . . . bmse001273 1 7 . . . bmse001273 1 8 . . . bmse001273 1 9 . . . bmse001273 1 10 . . . bmse001273 1 11 . . . bmse001273 1 12 . . . bmse001273 1 13 . . . bmse001273 1 14 . . . bmse001273 1 15 . . . bmse001273 1 16 . . . bmse001273 1 17 . . . bmse001273 1 18 . . . bmse001273 1 19 . . . bmse001273 1 20 . . . bmse001273 1 21 . . . bmse001273 1 22 . . . bmse001273 1 23 . . . bmse001273 1 24 . . . bmse001273 1 25 . . . bmse001273 1 26 . . . bmse001273 1 27 . . . bmse001273 1 28 . . . bmse001273 1 29 . . . bmse001273 1 30 . . . bmse001273 1 31 . . . bmse001273 1 32 . . . bmse001273 1 33 . . . bmse001273 1 34 . . . bmse001273 1 35 . . . bmse001273 1 36 . . . bmse001273 1 37 . . . bmse001273 1 38 . . . bmse001273 1 39 . . . bmse001273 1 40 . . . bmse001273 1 41 . . . bmse001273 1 42 . . . bmse001273 1 43 . . . bmse001273 1 44 . . . bmse001273 1 45 . . . bmse001273 1 46 . . . bmse001273 1 47 . . . bmse001273 1 48 . . . bmse001273 1 49 . . . bmse001273 1 50 . . . bmse001273 1 51 . . . bmse001273 1 52 . . . bmse001273 1 53 . . . bmse001273 1 54 . . . bmse001273 1 55 . . . bmse001273 1 56 . . . bmse001273 1 57 . . . bmse001273 1 58 . . . bmse001273 1 59 . . . bmse001273 1 60 . . . bmse001273 1 61 . . . bmse001273 1 62 . . . bmse001273 1 63 . . . bmse001273 1 64 . . . bmse001273 1 65 . . . bmse001273 1 66 . . . bmse001273 1 67 . . . bmse001273 1 68 . . . bmse001273 1 69 . . . bmse001273 1 70 . . . bmse001273 1 71 . . . bmse001273 1 72 . . . bmse001273 1 73 . . . bmse001273 1 74 . . . bmse001273 1 75 . . . bmse001273 1 76 . . . bmse001273 1 77 . . . bmse001273 1 78 . . . bmse001273 1 79 . . . bmse001273 1 80 . . . bmse001273 1 81 . . . bmse001273 1 82 . . . bmse001273 1 83 . . . bmse001273 1 84 . . . bmse001273 1 85 . . . bmse001273 1 86 . . . bmse001273 1 87 . . . bmse001273 1 88 . . . bmse001273 1 89 . . . bmse001273 1 90 . . . bmse001273 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 . 0.71 . 'relative height' bmse001273 1 2 . 0.85 . 'relative height' bmse001273 1 3 . 0.43 . 'relative height' bmse001273 1 4 . 0.45 . 'relative height' bmse001273 1 5 . 0.37 . 'relative height' bmse001273 1 6 . 0.34 . 'relative height' bmse001273 1 7 . 0.65 . 'relative height' bmse001273 1 8 . 0.61 . 'relative height' bmse001273 1 9 . 0.61 . 'relative height' bmse001273 1 10 . 0.99 . 'relative height' bmse001273 1 11 . 0.88 . 'relative height' bmse001273 1 12 . 0.16 . 'relative height' bmse001273 1 13 . 0.18 . 'relative height' bmse001273 1 14 . 0.25 . 'relative height' bmse001273 1 15 . 0.23 . 'relative height' bmse001273 1 16 . 0.17 . 'relative height' bmse001273 1 17 . 0.15 . 'relative height' bmse001273 1 18 . 0.25 . 'relative height' bmse001273 1 19 . 0.44 . 'relative height' bmse001273 1 20 . 0.46 . 'relative height' bmse001273 1 21 . 15.00 . 'relative height' bmse001273 1 22 . 0.12 . 'relative height' bmse001273 1 23 . 1.62 . 'relative height' bmse001273 1 24 . 0.44 . 'relative height' bmse001273 1 25 . 0.45 . 'relative height' bmse001273 1 26 . 0.58 . 'relative height' bmse001273 1 27 . 0.55 . 'relative height' bmse001273 1 28 . 1.27 . 'relative height' bmse001273 1 29 . 1.68 . 'relative height' bmse001273 1 30 . 1.29 . 'relative height' bmse001273 1 31 . 0.68 . 'relative height' bmse001273 1 32 . 0.70 . 'relative height' bmse001273 1 33 . 0.66 . 'relative height' bmse001273 1 34 . 0.68 . 'relative height' bmse001273 1 35 . 0.35 . 'relative height' bmse001273 1 36 . 0.22 . 'relative height' bmse001273 1 37 . 0.37 . 'relative height' bmse001273 1 38 . 0.34 . 'relative height' bmse001273 1 39 . 0.35 . 'relative height' bmse001273 1 40 . 0.35 . 'relative height' bmse001273 1 41 . 0.18 . 'relative height' bmse001273 1 42 . 0.20 . 'relative height' bmse001273 1 43 . 0.19 . 'relative height' bmse001273 1 44 . 0.21 . 'relative height' bmse001273 1 45 . 0.29 . 'relative height' bmse001273 1 46 . 0.29 . 'relative height' bmse001273 1 47 . 0.25 . 'relative height' bmse001273 1 48 . 0.24 . 'relative height' bmse001273 1 49 . 0.38 . 'relative height' bmse001273 1 50 . 0.40 . 'relative height' bmse001273 1 51 . 0.30 . 'relative height' bmse001273 1 52 . 0.31 . 'relative height' bmse001273 1 53 . 0.27 . 'relative height' bmse001273 1 54 . 0.38 . 'relative height' bmse001273 1 55 . 0.13 . 'relative height' bmse001273 1 56 . 0.26 . 'relative height' bmse001273 1 57 . 0.25 . 'relative height' bmse001273 1 58 . 0.17 . 'relative height' bmse001273 1 59 . 0.27 . 'relative height' bmse001273 1 60 . 0.28 . 'relative height' bmse001273 1 61 . 0.52 . 'relative height' bmse001273 1 62 . 0.38 . 'relative height' bmse001273 1 63 . 0.42 . 'relative height' bmse001273 1 64 . 0.17 . 'relative height' bmse001273 1 65 . 0.12 . 'relative height' bmse001273 1 66 . 0.22 . 'relative height' bmse001273 1 67 . 0.24 . 'relative height' bmse001273 1 68 . 0.67 . 'relative height' bmse001273 1 69 . 0.67 . 'relative height' bmse001273 1 70 . 0.71 . 'relative height' bmse001273 1 71 . 0.69 . 'relative height' bmse001273 1 72 . 0.27 . 'relative height' bmse001273 1 73 . 0.12 . 'relative height' bmse001273 1 74 . 0.34 . 'relative height' bmse001273 1 75 . 0.33 . 'relative height' bmse001273 1 76 . 0.43 . 'relative height' bmse001273 1 77 . 0.37 . 'relative height' bmse001273 1 78 . 0.52 . 'relative height' bmse001273 1 79 . 0.37 . 'relative height' bmse001273 1 80 . 0.24 . 'relative height' bmse001273 1 81 . 0.15 . 'relative height' bmse001273 1 82 . 6.28 . 'relative height' bmse001273 1 83 . 6.78 . 'relative height' bmse001273 1 84 . 2.54 . 'relative height' bmse001273 1 85 . 2.46 . 'relative height' bmse001273 1 86 . 2.35 . 'relative height' bmse001273 1 87 . 2.33 . 'relative height' bmse001273 1 88 . 1.42 . 'relative height' bmse001273 1 89 . 2.93 . 'relative height' bmse001273 1 90 . 1.30 . 'relative height' bmse001273 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 5.9768 . . . . . . . . . . . bmse001273 1 2 . 1 5.9575 . . . . . . . . . . . bmse001273 1 3 . 1 5.7971 . . . . . . . . . . . bmse001273 1 4 . 1 5.7849 . . . . . . . . . . . bmse001273 1 5 . 1 5.7781 . . . . . . . . . . . bmse001273 1 6 . 1 5.7658 . . . . . . . . . . . bmse001273 1 7 . 1 5.5034 . . . . . . . . . . . bmse001273 1 8 . 1 5.2123 . . . . . . . . . . . bmse001273 1 9 . 1 5.2066 . . . . . . . . . . . bmse001273 1 10 . 1 5.1969 . . . . . . . . . . . bmse001273 1 11 . 1 5.1904 . . . . . . . . . . . bmse001273 1 12 . 1 4.4824 . . . . . . . . . . . bmse001273 1 13 . 1 4.4746 . . . . . . . . . . . bmse001273 1 14 . 1 4.4674 . . . . . . . . . . . bmse001273 1 15 . 1 4.4604 . . . . . . . . . . . bmse001273 1 16 . 1 4.4521 . . . . . . . . . . . bmse001273 1 17 . 1 4.4450 . . . . . . . . . . . bmse001273 1 18 . 1 4.1052 . . . . . . . . . . . bmse001273 1 19 . 1 4.0984 . . . . . . . . . . . bmse001273 1 20 . 1 4.0917 . . . . . . . . . . . bmse001273 1 21 . 1 3.3454 . . . . . . . . . . . bmse001273 1 22 . 1 3.3308 . . . . . . . . . . . bmse001273 1 23 . 1 3.3216 . . . . . . . . . . . bmse001273 1 24 . 1 2.6482 . . . . . . . . . . . bmse001273 1 25 . 1 2.6392 . . . . . . . . . . . bmse001273 1 26 . 1 2.6136 . . . . . . . . . . . bmse001273 1 27 . 1 2.6046 . . . . . . . . . . . bmse001273 1 28 . 1 2.5068 . . . . . . . . . . . bmse001273 1 29 . 1 2.5034 . . . . . . . . . . . bmse001273 1 30 . 1 2.5003 . . . . . . . . . . . bmse001273 1 31 . 1 2.3954 . . . . . . . . . . . bmse001273 1 32 . 1 2.3925 . . . . . . . . . . . bmse001273 1 33 . 1 2.3897 . . . . . . . . . . . bmse001273 1 34 . 1 2.3576 . . . . . . . . . . . bmse001273 1 35 . 1 2.3450 . . . . . . . . . . . bmse001273 1 36 . 1 2.3322 . . . . . . . . . . . bmse001273 1 37 . 1 2.3180 . . . . . . . . . . . bmse001273 1 38 . 1 2.3137 . . . . . . . . . . . bmse001273 1 39 . 1 2.2938 . . . . . . . . . . . bmse001273 1 40 . 1 2.2891 . . . . . . . . . . . bmse001273 1 41 . 1 1.9975 . . . . . . . . . . . bmse001273 1 42 . 1 1.9935 . . . . . . . . . . . bmse001273 1 43 . 1 1.9811 . . . . . . . . . . . bmse001273 1 44 . 1 1.9767 . . . . . . . . . . . bmse001273 1 45 . 1 1.9678 . . . . . . . . . . . bmse001273 1 46 . 1 1.9638 . . . . . . . . . . . bmse001273 1 47 . 1 1.9511 . . . . . . . . . . . bmse001273 1 48 . 1 1.9478 . . . . . . . . . . . bmse001273 1 49 . 1 1.8288 . . . . . . . . . . . bmse001273 1 50 . 1 1.8227 . . . . . . . . . . . bmse001273 1 51 . 1 1.7990 . . . . . . . . . . . bmse001273 1 52 . 1 1.7925 . . . . . . . . . . . bmse001273 1 53 . 1 1.7781 . . . . . . . . . . . bmse001273 1 54 . 1 1.7501 . . . . . . . . . . . bmse001273 1 55 . 1 1.7283 . . . . . . . . . . . bmse001273 1 56 . 1 1.7118 . . . . . . . . . . . bmse001273 1 57 . 1 1.6960 . . . . . . . . . . . bmse001273 1 58 . 1 1.6798 . . . . . . . . . . . bmse001273 1 59 . 1 1.6516 . . . . . . . . . . . bmse001273 1 60 . 1 1.6460 . . . . . . . . . . . bmse001273 1 61 . 1 1.6232 . . . . . . . . . . . bmse001273 1 62 . 1 1.6007 . . . . . . . . . . . bmse001273 1 63 . 1 1.5946 . . . . . . . . . . . bmse001273 1 64 . 1 1.5701 . . . . . . . . . . . bmse001273 1 65 . 1 1.5184 . . . . . . . . . . . bmse001273 1 66 . 1 1.5059 . . . . . . . . . . . bmse001273 1 67 . 1 1.5040 . . . . . . . . . . . bmse001273 1 68 . 1 1.4914 . . . . . . . . . . . bmse001273 1 69 . 1 1.4810 . . . . . . . . . . . bmse001273 1 70 . 1 1.4765 . . . . . . . . . . . bmse001273 1 71 . 1 1.4663 . . . . . . . . . . . bmse001273 1 72 . 1 1.4518 . . . . . . . . . . . bmse001273 1 73 . 1 1.4393 . . . . . . . . . . . bmse001273 1 74 . 1 1.3165 . . . . . . . . . . . bmse001273 1 75 . 1 1.3100 . . . . . . . . . . . bmse001273 1 76 . 1 1.3003 . . . . . . . . . . . bmse001273 1 77 . 1 1.2898 . . . . . . . . . . . bmse001273 1 78 . 1 1.2771 . . . . . . . . . . . bmse001273 1 79 . 1 1.2542 . . . . . . . . . . . bmse001273 1 80 . 1 1.2440 . . . . . . . . . . . bmse001273 1 81 . 1 1.2344 . . . . . . . . . . . bmse001273 1 82 . 1 1.0588 . . . . . . . . . . . bmse001273 1 83 . 1 1.0550 . . . . . . . . . . . bmse001273 1 84 . 1 1.0298 . . . . . . . . . . . bmse001273 1 85 . 1 1.0150 . . . . . . . . . . . bmse001273 1 86 . 1 0.8388 . . . . . . . . . . . bmse001273 1 87 . 1 0.8249 . . . . . . . . . . . bmse001273 1 88 . 1 0.7831 . . . . . . . . . . . bmse001273 1 89 . 1 0.7683 . . . . . . . . . . . bmse001273 1 90 . 1 0.7533 . . . . . . . . . . . bmse001273 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 bmse001273 _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 . . . . . . bmse001273 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 . . bmse001273 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 . . . bmse001273 2 2 . . . bmse001273 2 3 . . . bmse001273 2 4 . . . bmse001273 2 5 . . . bmse001273 2 6 . . . bmse001273 2 7 . . . bmse001273 2 8 . . . bmse001273 2 9 . . . bmse001273 2 10 . . . bmse001273 2 11 . . . bmse001273 2 12 . . . bmse001273 2 13 . . . bmse001273 2 14 . . . bmse001273 2 15 . . . bmse001273 2 16 . . . bmse001273 2 17 . . . bmse001273 2 18 . . . bmse001273 2 19 . . . bmse001273 2 20 . . . bmse001273 2 21 . . . bmse001273 2 22 . . . bmse001273 2 23 . . . bmse001273 2 24 . . . bmse001273 2 25 . . . bmse001273 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' bmse001273 2 2 . 0.18 . 'relative height' bmse001273 2 3 . 0.23 . 'relative height' bmse001273 2 4 . 0.19 . 'relative height' bmse001273 2 5 . 0.22 . 'relative height' bmse001273 2 6 . 0.19 . 'relative height' bmse001273 2 7 . 0.27 . 'relative height' bmse001273 2 8 . 0.21 . 'relative height' bmse001273 2 9 . 0.24 . 'relative height' bmse001273 2 10 . 0.33 . 'relative height' bmse001273 2 11 . 0.21 . 'relative height' bmse001273 2 12 . 0.25 . 'relative height' bmse001273 2 13 . 0.24 . 'relative height' bmse001273 2 14 . 0.19 . 'relative height' bmse001273 2 15 . 0.28 . 'relative height' bmse001273 2 16 . 0.21 . 'relative height' bmse001273 2 17 . 0.20 . 'relative height' bmse001273 2 18 . 0.26 . 'relative height' bmse001273 2 19 . 0.26 . 'relative height' bmse001273 2 20 . 0.37 . 'relative height' bmse001273 2 21 . 0.31 . 'relative height' bmse001273 2 22 . 0.20 . 'relative height' bmse001273 2 23 . 0.33 . 'relative height' bmse001273 2 24 . 0.34 . 'relative height' bmse001273 2 25 . 0.35 . 'relative height' bmse001273 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 . 1 176.6077 . . . . . . . . . . . bmse001273 2 2 . 1 170.2086 . . . . . . . . . . . bmse001273 2 3 . 1 133.0064 . . . . . . . . . . . bmse001273 2 4 . 1 131.4959 . . . . . . . . . . . bmse001273 2 5 . 1 129.1669 . . . . . . . . . . . bmse001273 2 6 . 1 128.2448 . . . . . . . . . . . bmse001273 2 7 . 1 75.8566 . . . . . . . . . . . bmse001273 2 8 . 1 67.5957 . . . . . . . . . . . bmse001273 2 9 . 1 61.2499 . . . . . . . . . . . bmse001273 2 10 . 1 42.4091 . . . . . . . . . . . bmse001273 2 11 . 1 38.5347 . . . . . . . . . . . bmse001273 2 12 . 1 36.5412 . . . . . . . . . . . bmse001273 2 13 . 1 36.1969 . . . . . . . . . . . bmse001273 2 14 . 1 35.2905 . . . . . . . . . . . bmse001273 2 15 . 1 32.4999 . . . . . . . . . . . bmse001273 2 16 . 1 32.4135 . . . . . . . . . . . bmse001273 2 17 . 1 32.0557 . . . . . . . . . . . bmse001273 2 18 . 1 30.0997 . . . . . . . . . . . bmse001273 2 19 . 1 26.7150 . . . . . . . . . . . bmse001273 2 20 . 1 24.4931 . . . . . . . . . . . bmse001273 2 21 . 1 24.4432 . . . . . . . . . . . bmse001273 2 22 . 1 23.6947 . . . . . . . . . . . bmse001273 2 23 . 1 22.7996 . . . . . . . . . . . bmse001273 2 24 . 1 13.6267 . . . . . . . . . . . bmse001273 2 25 . 1 9.1624 . . . . . . . . . . . bmse001273 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 . . . . 24 176.6077 1 . 1 1 1 BMET001273 C24 . . . bmse001273 2 2 1 . . . . 22 170.2086 1 . 1 1 1 BMET001273 C22 . . . bmse001273 2 3 1 . . . . 7 133.0064 1 . 1 1 1 BMET001273 C7 . . . bmse001273 2 4 1 . . . . 17 131.4959 1 . 1 1 1 BMET001273 C17 . . . bmse001273 2 5 1 . . . . 11 129.1669 1 . 1 1 1 BMET001273 C11 . . . bmse001273 2 6 1 . . . . 8 128.2448 1 . 1 1 1 BMET001273 C8 . . . bmse001273 2 7 1 . . . . 18 75.8566 1 . 1 1 1 BMET001273 C18 . . . bmse001273 2 8 1 . . . . 21 67.5957 1 . 1 1 1 BMET001273 C21 . . . bmse001273 2 9 1 . . . . 19 61.2499 1 . 1 1 1 BMET001273 C19 . . . bmse001273 2 10 1 . . . . 25 42.4091 1 . 1 1 1 BMET001273 C25 . . . bmse001273 2 11 1 . . . . 14 38.5347 1 . 1 1 1 BMET001273 C14 . . . bmse001273 2 12 1 . . . . 23 36.5412 1 . 1 1 1 BMET001273 C23 . . . bmse001273 2 13 1 . . . . 20 36.1969 1 . 1 1 1 BMET001273 C20 . . . bmse001273 2 14 1 . . . . 10 35.2905 1 . 1 1 1 BMET001273 C10 . . . bmse001273 2 15 1 . . . . 6 32.4999 1 . 1 1 1 BMET001273 C6 . . . bmse001273 2 16 1 . . . . 13 32.4135 1 . 1 1 1 BMET001273 C13 . . . bmse001273 2 17 1 . . . . 12 32.0557 1 . 1 1 1 BMET001273 C12 . . . bmse001273 2 18 1 . . . . 16 30.0997 1 . 1 1 1 BMET001273 C16 . . . bmse001273 2 19 1 . . . . 15 26.7150 1 . 1 1 1 BMET001273 C15 . . . bmse001273 2 20 1 . . . . 4 24.4931 1 . 1 1 1 BMET001273 C4 . . . bmse001273 2 21 1 . . . . 5 24.4432 1 . 1 1 1 BMET001273 C5 . . . bmse001273 2 22 1 . . . . 9 23.6947 1 . 1 1 1 BMET001273 C9 . . . bmse001273 2 23 1 . . . . 2 22.7996 1 . 1 1 1 BMET001273 C2 . . . bmse001273 2 24 1 . . . . 3 13.6267 1 . 1 1 1 BMET001273 C3 . . . bmse001273 2 25 1 . . . . 1 9.1624 1 . 1 1 1 BMET001273 C1 . . . bmse001273 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 bmse001273 _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 . . . . . . bmse001273 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 . . bmse001273 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 . . . bmse001273 3 2 . . . bmse001273 3 3 . . . bmse001273 3 4 . . . bmse001273 3 5 . . . bmse001273 3 6 . . . bmse001273 3 7 . . . bmse001273 3 8 . . . bmse001273 3 9 . . . bmse001273 3 10 . . . bmse001273 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 . 12.88 . 'relative height' bmse001273 3 2 . 13.01 . 'relative height' bmse001273 3 3 . 12.58 . 'relative height' bmse001273 3 4 . 15.00 . 'relative height' bmse001273 3 5 . 12.93 . 'relative height' bmse001273 3 6 . 12.83 . 'relative height' bmse001273 3 7 . 13.14 . 'relative height' bmse001273 3 8 . 12.45 . 'relative height' bmse001273 3 9 . 13.46 . 'relative height' bmse001273 3 10 . 13.05 . 'relative height' bmse001273 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 . 1 132.7414 . . . . . . . . . . . bmse001273 3 2 . 1 128.9024 . . . . . . . . . . . bmse001273 3 3 . 1 127.9800 . . . . . . . . . . . bmse001273 3 4 . 1 75.5938 . . . . . . . . . . . bmse001273 3 5 . 1 67.3318 . . . . . . . . . . . bmse001273 3 6 . 1 60.9872 . . . . . . . . . . . bmse001273 3 7 . 1 36.2764 . . . . . . . . . . . bmse001273 3 8 . 1 35.9341 . . . . . . . . . . . bmse001273 3 9 . 1 29.8362 . . . . . . . . . . . bmse001273 3 10 . 1 26.4512 . . . . . . . . . . . bmse001273 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 bmse001273 _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 . . . . . . bmse001273 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 . . bmse001273 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 . . . bmse001273 4 2 . . . bmse001273 4 3 . . . bmse001273 4 4 . . . bmse001273 4 5 . . . bmse001273 4 6 . . . bmse001273 4 7 . . . bmse001273 4 8 . . . bmse001273 4 9 . . . bmse001273 4 10 . . . bmse001273 4 11 . . . bmse001273 4 12 . . . bmse001273 4 13 . . . bmse001273 4 14 . . . bmse001273 4 15 . . . bmse001273 4 16 . . . bmse001273 4 17 . . . bmse001273 4 18 . . . bmse001273 4 19 . . . bmse001273 4 20 . . . bmse001273 4 21 . . . bmse001273 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 . 6.14 . 'relative height' bmse001273 4 2 . 5.71 . 'relative height' bmse001273 4 3 . 5.87 . 'relative height' bmse001273 4 4 . 7.52 . 'relative height' bmse001273 4 5 . 5.54 . 'relative height' bmse001273 4 6 . 5.51 . 'relative height' bmse001273 4 7 . -8.50 . 'relative height' bmse001273 4 8 . 6.29 . 'relative height' bmse001273 4 9 . 5.56 . 'relative height' bmse001273 4 10 . -6.20 . 'relative height' bmse001273 4 11 . -11.24 . 'relative height' bmse001273 4 12 . -5.66 . 'relative height' bmse001273 4 13 . -5.65 . 'relative height' bmse001273 4 14 . 6.48 . 'relative height' bmse001273 4 15 . 5.91 . 'relative height' bmse001273 4 16 . 15.00 . 'relative height' bmse001273 4 17 . 13.33 . 'relative height' bmse001273 4 18 . -5.10 . 'relative height' bmse001273 4 19 . 10.22 . 'relative height' bmse001273 4 20 . 10.87 . 'relative height' bmse001273 4 21 . 10.50 . 'relative height' bmse001273 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 . 1 132.7399 . . . . . . . . . . . bmse001273 4 2 . 1 128.9013 . . . . . . . . . . . bmse001273 4 3 . 1 127.9783 . . . . . . . . . . . bmse001273 4 4 . 1 75.5922 . . . . . . . . . . . bmse001273 4 5 . 1 67.3295 . . . . . . . . . . . bmse001273 4 6 . 1 60.9848 . . . . . . . . . . . bmse001273 4 7 . 1 38.2681 . . . . . . . . . . . bmse001273 4 8 . 1 36.2738 . . . . . . . . . . . bmse001273 4 9 . 1 35.9320 . . . . . . . . . . . bmse001273 4 10 . 1 35.0237 . . . . . . . . . . . bmse001273 4 11 . 1 32.2342 . . . . . . . . . . . bmse001273 4 12 . 1 32.1469 . . . . . . . . . . . bmse001273 4 13 . 1 31.7887 . . . . . . . . . . . bmse001273 4 14 . 1 29.8341 . . . . . . . . . . . bmse001273 4 15 . 1 26.4478 . . . . . . . . . . . bmse001273 4 16 . 1 24.2270 . . . . . . . . . . . bmse001273 4 17 . 1 24.1767 . . . . . . . . . . . bmse001273 4 18 . 1 23.4278 . . . . . . . . . . . bmse001273 4 19 . 1 22.5339 . . . . . . . . . . . bmse001273 4 20 . 1 13.3594 . . . . . . . . . . . bmse001273 4 21 . 1 8.8975 . . . . . . . . . . . bmse001273 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 bmse001273 _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' . . 165.64 ppm . . . . . . bmse001273 5 2 . . H 1 'Full H' . . 12.99 ppm . . . . . . bmse001273 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 . . bmse001273 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 . . . bmse001273 5 2 . . . bmse001273 5 3 . . . bmse001273 5 4 . . . bmse001273 5 5 . . . bmse001273 5 6 . . . bmse001273 5 7 . . . bmse001273 5 8 . . . bmse001273 5 9 . . . bmse001273 5 10 . . . bmse001273 5 11 . . . bmse001273 5 12 . . . bmse001273 5 13 . . . bmse001273 5 14 . . . bmse001273 5 15 . . . bmse001273 5 16 . . . bmse001273 5 17 . . . bmse001273 5 18 . . . bmse001273 5 19 . . . bmse001273 5 20 . . . bmse001273 5 21 . . . bmse001273 5 22 . . . bmse001273 5 23 . . . bmse001273 5 24 . . . bmse001273 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 . 65733.11 . 'relative height' bmse001273 5 2 . 94639.71 . 'relative height' bmse001273 5 3 . 84073.74 . 'relative height' bmse001273 5 4 . 97938.65 . 'relative height' bmse001273 5 5 . 134234.73 . 'relative height' bmse001273 5 6 . 99968.85 . 'relative height' bmse001273 5 7 . 55279.41 . 'relative height' bmse001273 5 8 . 47949.79 . 'relative height' bmse001273 5 9 . 66556.46 . 'relative height' bmse001273 5 10 . 53581.62 . 'relative height' bmse001273 5 11 . 50069.99 . 'relative height' bmse001273 5 12 . 60646.63 . 'relative height' bmse001273 5 13 . 108082.48 . 'relative height' bmse001273 5 14 . 41527.37 . 'relative height' bmse001273 5 15 . 54397.52 . 'relative height' bmse001273 5 16 . 75455.56 . 'relative height' bmse001273 5 17 . 70728.24 . 'relative height' bmse001273 5 18 . 53421.63 . 'relative height' bmse001273 5 19 . 53069.41 . 'relative height' bmse001273 5 20 . 601289.85 . 'relative height' bmse001273 5 21 . 69748.32 . 'relative height' bmse001273 5 22 . 262408.85 . 'relative height' bmse001273 5 23 . 184069.24 . 'relative height' bmse001273 5 24 . 188297.94 . 'relative height' bmse001273 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 . 1 132.7107 . . . . . . . . . . . bmse001273 5 1 . 2 5.7801 . . . . . . . . . . . bmse001273 5 2 . 1 128.9570 . . . . . . . . . . . bmse001273 5 2 . 2 5.5097 . . . . . . . . . . . bmse001273 5 3 . 1 127.9999 . . . . . . . . . . . bmse001273 5 3 . 2 5.9614 . . . . . . . . . . . bmse001273 5 4 . 1 75.5304 . . . . . . . . . . . bmse001273 5 4 . 2 4.4700 . . . . . . . . . . . bmse001273 5 5 . 1 67.3354 . . . . . . . . . . . bmse001273 5 5 . 2 5.2093 . . . . . . . . . . . bmse001273 5 6 . 1 61.0526 . . . . . . . . . . . bmse001273 5 6 . 2 4.1021 . . . . . . . . . . . bmse001273 5 7 . 1 38.2914 . . . . . . . . . . . bmse001273 5 7 . 2 2.3809 . . . . . . . . . . . bmse001273 5 8 . 1 38.3059 . . . . . . . . . . . bmse001273 5 8 . 2 2.6260 . . . . . . . . . . . bmse001273 5 9 . 1 36.2796 . . . . . . . . . . . bmse001273 5 9 . 2 2.2994 . . . . . . . . . . . bmse001273 5 10 . 1 35.8835 . . . . . . . . . . . bmse001273 5 10 . 2 1.5887 . . . . . . . . . . . bmse001273 5 11 . 1 35.1050 . . . . . . . . . . . bmse001273 5 11 . 2 1.6343 . . . . . . . . . . . bmse001273 5 12 . 1 35.0904 . . . . . . . . . . . bmse001273 5 12 . 2 1.7659 . . . . . . . . . . . bmse001273 5 13 . 1 32.3889 . . . . . . . . . . . bmse001273 5 13 . 2 1.4808 . . . . . . . . . . . bmse001273 5 14 . 1 32.2429 . . . . . . . . . . . bmse001273 5 14 . 2 1.2696 . . . . . . . . . . . bmse001273 5 15 . 1 32.2575 . . . . . . . . . . . bmse001273 5 15 . 2 1.7029 . . . . . . . . . . . bmse001273 5 16 . 1 31.7902 . . . . . . . . . . . bmse001273 5 16 . 2 1.8208 . . . . . . . . . . . bmse001273 5 17 . 1 31.8048 . . . . . . . . . . . bmse001273 5 17 . 2 1.9716 . . . . . . . . . . . bmse001273 5 18 . 1 29.7726 . . . . . . . . . . . bmse001273 5 18 . 2 2.3605 . . . . . . . . . . . bmse001273 5 19 . 1 26.5153 . . . . . . . . . . . bmse001273 5 19 . 2 2.3969 . . . . . . . . . . . bmse001273 5 20 . 1 24.1600 . . . . . . . . . . . bmse001273 5 20 . 2 1.0567 . . . . . . . . . . . bmse001273 5 21 . 1 23.4872 . . . . . . . . . . . bmse001273 5 21 . 2 1.2999 . . . . . . . . . . . bmse001273 5 22 . 1 22.5298 . . . . . . . . . . . bmse001273 5 22 . 2 1.0221 . . . . . . . . . . . bmse001273 5 23 . 1 13.4428 . . . . . . . . . . . bmse001273 5 23 . 2 0.8408 . . . . . . . . . . . bmse001273 5 24 . 1 8.8617 . . . . . . . . . . . bmse001273 5 24 . 2 0.7670 . . . . . . . . . . . bmse001273 5 stop_ save_