######################### # 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 bmse001258 _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 . . . . . . bmse001258 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 . . bmse001258 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 . . . bmse001258 1 2 . . . bmse001258 1 3 . . . bmse001258 1 4 . . . bmse001258 1 5 . . . bmse001258 1 6 . . . bmse001258 1 7 . . . bmse001258 1 8 . . . bmse001258 1 9 . . . bmse001258 1 10 . . . bmse001258 1 11 . . . bmse001258 1 12 . . . bmse001258 1 13 . . . bmse001258 1 14 . . . bmse001258 1 15 . . . bmse001258 1 16 . . . bmse001258 1 17 . . . bmse001258 1 18 . . . bmse001258 1 19 . . . bmse001258 1 20 . . . bmse001258 1 21 . . . bmse001258 1 22 . . . bmse001258 1 23 . . . bmse001258 1 24 . . . bmse001258 1 25 . . . bmse001258 1 26 . . . bmse001258 1 27 . . . bmse001258 1 28 . . . bmse001258 1 29 . . . bmse001258 1 30 . . . bmse001258 1 31 . . . bmse001258 1 32 . . . bmse001258 1 33 . . . bmse001258 1 34 . . . bmse001258 1 35 . . . bmse001258 1 36 . . . bmse001258 1 37 . . . bmse001258 1 38 . . . bmse001258 1 39 . . . bmse001258 1 40 . . . bmse001258 1 41 . . . bmse001258 1 42 . . . bmse001258 1 43 . . . bmse001258 1 44 . . . bmse001258 1 45 . . . bmse001258 1 46 . . . bmse001258 1 47 . . . bmse001258 1 48 . . . bmse001258 1 49 . . . bmse001258 1 50 . . . bmse001258 1 51 . . . bmse001258 1 52 . . . bmse001258 1 53 . . . bmse001258 1 54 . . . bmse001258 1 55 . . . bmse001258 1 56 . . . bmse001258 1 57 . . . bmse001258 1 58 . . . bmse001258 1 59 . . . bmse001258 1 60 . . . bmse001258 1 61 . . . bmse001258 1 62 . . . bmse001258 1 63 . . . bmse001258 1 64 . . . bmse001258 1 65 . . . bmse001258 1 66 . . . bmse001258 1 67 . . . bmse001258 1 68 . . . bmse001258 1 69 . . . bmse001258 1 70 . . . bmse001258 1 71 . . . bmse001258 1 72 . . . bmse001258 1 73 . . . bmse001258 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 . 2.81 . 'relative height' bmse001258 1 2 . 3.35 . 'relative height' bmse001258 1 3 . 3.55 . 'relative height' bmse001258 1 4 . 3.99 . 'relative height' bmse001258 1 5 . 1.08 . 'relative height' bmse001258 1 6 . 1.25 . 'relative height' bmse001258 1 7 . 1.64 . 'relative height' bmse001258 1 8 . 1.73 . 'relative height' bmse001258 1 9 . 1.24 . 'relative height' bmse001258 1 10 . 1.31 . 'relative height' bmse001258 1 11 . 1.62 . 'relative height' bmse001258 1 12 . 2.06 . 'relative height' bmse001258 1 13 . 1.30 . 'relative height' bmse001258 1 14 . 2.00 . 'relative height' bmse001258 1 15 . 2.02 . 'relative height' bmse001258 1 16 . 2.19 . 'relative height' bmse001258 1 17 . 2.24 . 'relative height' bmse001258 1 18 . 1.39 . 'relative height' bmse001258 1 19 . 1.44 . 'relative height' bmse001258 1 20 . 1.29 . 'relative height' bmse001258 1 21 . 1.43 . 'relative height' bmse001258 1 22 . 1.54 . 'relative height' bmse001258 1 23 . 1.37 . 'relative height' bmse001258 1 24 . 1.22 . 'relative height' bmse001258 1 25 . 1.14 . 'relative height' bmse001258 1 26 . 1.52 . 'relative height' bmse001258 1 27 . 1.75 . 'relative height' bmse001258 1 28 . 1.69 . 'relative height' bmse001258 1 29 . 1.97 . 'relative height' bmse001258 1 30 . 1.90 . 'relative height' bmse001258 1 31 . 15.00 . 'relative height' bmse001258 1 32 . 0.91 . 'relative height' bmse001258 1 33 . 0.92 . 'relative height' bmse001258 1 34 . 0.90 . 'relative height' bmse001258 1 35 . 1.74 . 'relative height' bmse001258 1 36 . 1.72 . 'relative height' bmse001258 1 37 . 1.11 . 'relative height' bmse001258 1 38 . 1.11 . 'relative height' bmse001258 1 39 . 0.42 . 'relative height' bmse001258 1 40 . 0.47 . 'relative height' bmse001258 1 41 . 0.42 . 'relative height' bmse001258 1 42 . 0.46 . 'relative height' bmse001258 1 43 . 1.06 . 'relative height' bmse001258 1 44 . 1.72 . 'relative height' bmse001258 1 45 . 1.50 . 'relative height' bmse001258 1 46 . 0.58 . 'relative height' bmse001258 1 47 . 0.35 . 'relative height' bmse001258 1 48 . 0.55 . 'relative height' bmse001258 1 49 . 0.29 . 'relative height' bmse001258 1 50 . 0.34 . 'relative height' bmse001258 1 51 . 0.54 . 'relative height' bmse001258 1 52 . 0.57 . 'relative height' bmse001258 1 53 . 0.62 . 'relative height' bmse001258 1 54 . 0.63 . 'relative height' bmse001258 1 55 . 0.69 . 'relative height' bmse001258 1 56 . 0.70 . 'relative height' bmse001258 1 57 . 0.66 . 'relative height' bmse001258 1 58 . 0.60 . 'relative height' bmse001258 1 59 . 0.45 . 'relative height' bmse001258 1 60 . 0.46 . 'relative height' bmse001258 1 61 . 0.48 . 'relative height' bmse001258 1 62 . 1.14 . 'relative height' bmse001258 1 63 . 1.31 . 'relative height' bmse001258 1 64 . 1.00 . 'relative height' bmse001258 1 65 . 1.04 . 'relative height' bmse001258 1 66 . 0.87 . 'relative height' bmse001258 1 67 . 0.88 . 'relative height' bmse001258 1 68 . 0.82 . 'relative height' bmse001258 1 69 . 0.32 . 'relative height' bmse001258 1 70 . 0.41 . 'relative height' bmse001258 1 71 . 0.77 . 'relative height' bmse001258 1 72 . 0.94 . 'relative height' bmse001258 1 73 . 0.60 . 'relative height' bmse001258 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 11.8876 . . . . . . . . . . . bmse001258 1 2 . 1 11.8473 . . . . . . . . . . . bmse001258 1 3 . 1 11.8009 . . . . . . . . . . . bmse001258 1 4 . 1 11.7863 . . . . . . . . . . . bmse001258 1 5 . 1 7.5706 . . . . . . . . . . . bmse001258 1 6 . 1 7.5622 . . . . . . . . . . . bmse001258 1 7 . 1 7.5549 . . . . . . . . . . . bmse001258 1 8 . 1 7.5465 . . . . . . . . . . . bmse001258 1 9 . 1 7.5389 . . . . . . . . . . . bmse001258 1 10 . 1 7.5305 . . . . . . . . . . . bmse001258 1 11 . 1 7.0872 . . . . . . . . . . . bmse001258 1 12 . 1 7.0741 . . . . . . . . . . . bmse001258 1 13 . 1 7.0606 . . . . . . . . . . . bmse001258 1 14 . 1 7.0310 . . . . . . . . . . . bmse001258 1 15 . 1 7.0297 . . . . . . . . . . . bmse001258 1 16 . 1 7.0163 . . . . . . . . . . . bmse001258 1 17 . 1 7.0151 . . . . . . . . . . . bmse001258 1 18 . 1 6.9039 . . . . . . . . . . . bmse001258 1 19 . 1 6.9021 . . . . . . . . . . . bmse001258 1 20 . 1 6.8914 . . . . . . . . . . . bmse001258 1 21 . 1 6.8896 . . . . . . . . . . . bmse001258 1 22 . 1 6.8873 . . . . . . . . . . . bmse001258 1 23 . 1 6.8854 . . . . . . . . . . . bmse001258 1 24 . 1 6.8748 . . . . . . . . . . . bmse001258 1 25 . 1 6.8730 . . . . . . . . . . . bmse001258 1 26 . 1 6.8558 . . . . . . . . . . . bmse001258 1 27 . 1 6.8279 . . . . . . . . . . . bmse001258 1 28 . 1 6.8258 . . . . . . . . . . . bmse001258 1 29 . 1 4.5787 . . . . . . . . . . . bmse001258 1 30 . 1 4.5605 . . . . . . . . . . . bmse001258 1 31 . 1 3.3868 . . . . . . . . . . . bmse001258 1 32 . 1 3.3406 . . . . . . . . . . . bmse001258 1 33 . 1 3.2944 . . . . . . . . . . . bmse001258 1 34 . 1 3.2903 . . . . . . . . . . . bmse001258 1 35 . 1 3.2744 . . . . . . . . . . . bmse001258 1 36 . 1 3.2705 . . . . . . . . . . . bmse001258 1 37 . 1 3.2547 . . . . . . . . . . . bmse001258 1 38 . 1 3.2505 . . . . . . . . . . . bmse001258 1 39 . 1 3.1800 . . . . . . . . . . . bmse001258 1 40 . 1 3.1693 . . . . . . . . . . . bmse001258 1 41 . 1 3.1575 . . . . . . . . . . . bmse001258 1 42 . 1 3.1460 . . . . . . . . . . . bmse001258 1 43 . 1 3.1245 . . . . . . . . . . . bmse001258 1 44 . 1 3.1079 . . . . . . . . . . . bmse001258 1 45 . 1 3.0915 . . . . . . . . . . . bmse001258 1 46 . 1 3.0746 . . . . . . . . . . . bmse001258 1 47 . 1 2.8634 . . . . . . . . . . . bmse001258 1 48 . 1 2.8459 . . . . . . . . . . . bmse001258 1 49 . 1 2.8272 . . . . . . . . . . . bmse001258 1 50 . 1 2.8074 . . . . . . . . . . . bmse001258 1 51 . 1 2.7896 . . . . . . . . . . . bmse001258 1 52 . 1 2.7824 . . . . . . . . . . . bmse001258 1 53 . 1 2.7780 . . . . . . . . . . . bmse001258 1 54 . 1 2.7712 . . . . . . . . . . . bmse001258 1 55 . 1 2.7631 . . . . . . . . . . . bmse001258 1 56 . 1 2.7588 . . . . . . . . . . . bmse001258 1 57 . 1 2.7519 . . . . . . . . . . . bmse001258 1 58 . 1 2.7475 . . . . . . . . . . . bmse001258 1 59 . 1 2.7390 . . . . . . . . . . . bmse001258 1 60 . 1 2.7348 . . . . . . . . . . . bmse001258 1 61 . 1 2.7281 . . . . . . . . . . . bmse001258 1 62 . 1 2.7192 . . . . . . . . . . . bmse001258 1 63 . 1 2.7156 . . . . . . . . . . . bmse001258 1 64 . 1 2.7088 . . . . . . . . . . . bmse001258 1 65 . 1 2.7044 . . . . . . . . . . . bmse001258 1 66 . 1 2.6993 . . . . . . . . . . . bmse001258 1 67 . 1 2.6895 . . . . . . . . . . . bmse001258 1 68 . 1 2.6721 . . . . . . . . . . . bmse001258 1 69 . 1 2.6532 . . . . . . . . . . . bmse001258 1 70 . 1 2.5132 . . . . . . . . . . . bmse001258 1 71 . 1 2.5098 . . . . . . . . . . . bmse001258 1 72 . 1 2.5062 . . . . . . . . . . . bmse001258 1 73 . 1 2.5026 . . . . . . . . . . . bmse001258 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 bmse001258 _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 . . . . . . bmse001258 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 . . bmse001258 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 . . . bmse001258 2 2 . . . bmse001258 2 3 . . . bmse001258 2 4 . . . bmse001258 2 5 . . . bmse001258 2 6 . . . bmse001258 2 7 . . . bmse001258 2 8 . . . bmse001258 2 9 . . . bmse001258 2 10 . . . bmse001258 2 11 . . . bmse001258 2 12 . . . bmse001258 2 13 . . . bmse001258 2 14 . . . bmse001258 2 15 . . . bmse001258 2 16 . . . bmse001258 2 17 . . . bmse001258 2 18 . . . bmse001258 2 19 . . . bmse001258 2 20 . . . bmse001258 2 21 . . . bmse001258 2 22 . . . bmse001258 2 23 . . . bmse001258 2 24 . . . bmse001258 2 25 . . . bmse001258 2 26 . . . bmse001258 2 27 . . . bmse001258 2 28 . . . bmse001258 2 29 . . . bmse001258 2 30 . . . bmse001258 2 31 . . . bmse001258 2 32 . . . bmse001258 2 33 . . . bmse001258 2 34 . . . bmse001258 2 35 . . . bmse001258 2 36 . . . bmse001258 2 37 . . . bmse001258 2 38 . . . bmse001258 2 39 . . . bmse001258 2 40 . . . bmse001258 2 41 . . . bmse001258 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 . 0.12 . 'relative height' bmse001258 2 2 . 0.21 . 'relative height' bmse001258 2 3 . 0.24 . 'relative height' bmse001258 2 4 . 0.30 . 'relative height' bmse001258 2 5 . 0.22 . 'relative height' bmse001258 2 6 . 0.16 . 'relative height' bmse001258 2 7 . 0.16 . 'relative height' bmse001258 2 8 . 0.12 . 'relative height' bmse001258 2 9 . 0.15 . 'relative height' bmse001258 2 10 . 0.12 . 'relative height' bmse001258 2 11 . 0.12 . 'relative height' bmse001258 2 12 . 0.12 . 'relative height' bmse001258 2 13 . 0.13 . 'relative height' bmse001258 2 14 . 0.14 . 'relative height' bmse001258 2 15 . 0.16 . 'relative height' bmse001258 2 16 . 0.14 . 'relative height' bmse001258 2 17 . 0.14 . 'relative height' bmse001258 2 18 . 0.14 . 'relative height' bmse001258 2 19 . 0.18 . 'relative height' bmse001258 2 20 . 0.15 . 'relative height' bmse001258 2 21 . 0.14 . 'relative height' bmse001258 2 22 . 0.16 . 'relative height' bmse001258 2 23 . 0.14 . 'relative height' bmse001258 2 24 . 0.14 . 'relative height' bmse001258 2 25 . 0.15 . 'relative height' bmse001258 2 26 . 0.17 . 'relative height' bmse001258 2 27 . 0.19 . 'relative height' bmse001258 2 28 . 0.20 . 'relative height' bmse001258 2 29 . 0.19 . 'relative height' bmse001258 2 30 . 0.21 . 'relative height' bmse001258 2 31 . 0.17 . 'relative height' bmse001258 2 32 . 0.19 . 'relative height' bmse001258 2 33 . 0.22 . 'relative height' bmse001258 2 34 . 0.24 . 'relative height' bmse001258 2 35 . 0.20 . 'relative height' bmse001258 2 36 . 0.18 . 'relative height' bmse001258 2 37 . 0.22 . 'relative height' bmse001258 2 38 . 0.29 . 'relative height' bmse001258 2 39 . 0.33 . 'relative height' bmse001258 2 40 . 0.16 . 'relative height' bmse001258 2 41 . 0.20 . 'relative height' bmse001258 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 . 1 193.3929 . . . . . . . . . . . bmse001258 2 2 . 1 193.3679 . . . . . . . . . . . bmse001258 2 3 . 1 161.1119 . . . . . . . . . . . bmse001258 2 4 . 1 160.9144 . . . . . . . . . . . bmse001258 2 5 . 1 160.8837 . . . . . . . . . . . bmse001258 2 6 . 1 160.7713 . . . . . . . . . . . bmse001258 2 7 . 1 152.2103 . . . . . . . . . . . bmse001258 2 8 . 1 151.3750 . . . . . . . . . . . bmse001258 2 9 . 1 145.8607 . . . . . . . . . . . bmse001258 2 10 . 1 145.6396 . . . . . . . . . . . bmse001258 2 11 . 1 142.0361 . . . . . . . . . . . bmse001258 2 12 . 1 141.8127 . . . . . . . . . . . bmse001258 2 13 . 1 136.1096 . . . . . . . . . . . bmse001258 2 14 . 1 135.2376 . . . . . . . . . . . bmse001258 2 15 . 1 120.2596 . . . . . . . . . . . bmse001258 2 16 . 1 118.9156 . . . . . . . . . . . bmse001258 2 17 . 1 117.8033 . . . . . . . . . . . bmse001258 2 18 . 1 117.3740 . . . . . . . . . . . bmse001258 2 19 . 1 117.0495 . . . . . . . . . . . bmse001258 2 20 . 1 116.2093 . . . . . . . . . . . bmse001258 2 21 . 1 115.8059 . . . . . . . . . . . bmse001258 2 22 . 1 115.7527 . . . . . . . . . . . bmse001258 2 23 . 1 115.7190 . . . . . . . . . . . bmse001258 2 24 . 1 115.4037 . . . . . . . . . . . bmse001258 2 25 . 1 112.6417 . . . . . . . . . . . bmse001258 2 26 . 1 112.3154 . . . . . . . . . . . bmse001258 2 27 . 1 85.1582 . . . . . . . . . . . bmse001258 2 28 . 1 85.0427 . . . . . . . . . . . bmse001258 2 29 . 1 80.8946 . . . . . . . . . . . bmse001258 2 30 . 1 80.7729 . . . . . . . . . . . bmse001258 2 31 . 1 78.1979 . . . . . . . . . . . bmse001258 2 32 . 1 78.1250 . . . . . . . . . . . bmse001258 2 33 . 1 70.2291 . . . . . . . . . . . bmse001258 2 34 . 1 70.2087 . . . . . . . . . . . bmse001258 2 35 . 1 70.1966 . . . . . . . . . . . bmse001258 2 36 . 1 70.0708 . . . . . . . . . . . bmse001258 2 37 . 1 62.3913 . . . . . . . . . . . bmse001258 2 38 . 1 62.3553 . . . . . . . . . . . bmse001258 2 39 . 1 61.3474 . . . . . . . . . . . bmse001258 2 40 . 1 44.1680 . . . . . . . . . . . bmse001258 2 41 . 1 43.8568 . . . . . . . . . . . bmse001258 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 . . . . 18 193.3929 1 . 1 1 1 BMET001258 C18 . . . bmse001258 2 7 1 . . . . 8 152.2103 1 . 1 1 1 BMET001258 C8 . . . bmse001258 2 13 1 . . . . 1 136.1096 1 . 1 1 1 BMET001258 C1 . . . bmse001258 2 15 1 . . . . 3 120.2596 1 . 1 1 1 BMET001258 C3 . . . bmse001258 2 16 1 . . . . 2 118.9156 1 . 1 1 1 BMET001258 C2 . . . bmse001258 2 20 1 . . . . 4 116.2093 1 . 1 1 1 BMET001258 C4 . . . bmse001258 2 25 1 . . . . 5 112.6417 1 . 1 1 1 BMET001258 C5 . . . bmse001258 2 27 1 . . . . 21 85.1582 1 . 1 1 1 BMET001258 C21 . . . bmse001258 2 29 1 . . . . 19 80.8946 1 . 1 1 1 BMET001258 C19 . . . bmse001258 2 31 1 . . . . 13 78.1979 1 . 1 1 1 BMET001258 C13 . . . bmse001258 2 34 1 . . . . 17 70.2087 1 . 1 1 1 BMET001258 C17 . . . bmse001258 2 36 1 . . . . 20 70.0708 1 . 1 1 1 BMET001258 C20 . . . bmse001258 2 37 1 . . . . 6 62.3913 1 . 1 1 1 BMET001258 C6 . . . bmse001258 2 39 1 . . . . 7 61.3474 1 . 1 1 1 BMET001258 C7 . . . bmse001258 2 41 1 . . . . 14 43.8568 1 . 1 1 1 BMET001258 C14 . . . bmse001258 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 bmse001258 _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 . . . . . . bmse001258 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 . . bmse001258 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 . . . bmse001258 3 2 . . . bmse001258 3 3 . . . bmse001258 3 4 . . . bmse001258 3 5 . . . bmse001258 3 6 . . . bmse001258 3 7 . . . bmse001258 3 8 . . . bmse001258 3 9 . . . bmse001258 3 10 . . . bmse001258 3 11 . . . bmse001258 3 12 . . . bmse001258 3 13 . . . bmse001258 3 14 . . . bmse001258 3 15 . . . bmse001258 3 16 . . . bmse001258 3 17 . . . bmse001258 3 18 . . . bmse001258 3 19 . . . bmse001258 3 20 . . . bmse001258 3 21 . . . bmse001258 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 . 8.03 . 'relative height' bmse001258 3 2 . 9.22 . 'relative height' bmse001258 3 3 . 9.60 . 'relative height' bmse001258 3 4 . 7.91 . 'relative height' bmse001258 3 5 . 8.55 . 'relative height' bmse001258 3 6 . 9.41 . 'relative height' bmse001258 3 7 . 9.43 . 'relative height' bmse001258 3 8 . 8.41 . 'relative height' bmse001258 3 9 . 8.92 . 'relative height' bmse001258 3 10 . 10.25 . 'relative height' bmse001258 3 11 . 9.66 . 'relative height' bmse001258 3 12 . 10.77 . 'relative height' bmse001258 3 13 . 10.22 . 'relative height' bmse001258 3 14 . 11.86 . 'relative height' bmse001258 3 15 . 9.09 . 'relative height' bmse001258 3 16 . 10.27 . 'relative height' bmse001258 3 17 . 13.84 . 'relative height' bmse001258 3 18 . 15.00 . 'relative height' bmse001258 3 19 . 10.98 . 'relative height' bmse001258 3 20 . 8.49 . 'relative height' bmse001258 3 21 . 10.23 . 'relative height' bmse001258 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 . 1 135.8888 . . . . . . . . . . . bmse001258 3 2 . 1 135.0177 . . . . . . . . . . . bmse001258 3 3 . 1 120.0393 . . . . . . . . . . . bmse001258 3 4 . 1 118.6949 . . . . . . . . . . . bmse001258 3 5 . 1 117.5829 . . . . . . . . . . . bmse001258 3 6 . 1 115.9898 . . . . . . . . . . . bmse001258 3 7 . 1 115.5324 . . . . . . . . . . . bmse001258 3 8 . 1 115.1836 . . . . . . . . . . . bmse001258 3 9 . 1 112.4219 . . . . . . . . . . . bmse001258 3 10 . 1 112.0960 . . . . . . . . . . . bmse001258 3 11 . 1 84.9387 . . . . . . . . . . . bmse001258 3 12 . 1 84.8212 . . . . . . . . . . . bmse001258 3 13 . 1 80.6756 . . . . . . . . . . . bmse001258 3 14 . 1 80.5535 . . . . . . . . . . . bmse001258 3 15 . 1 77.9760 . . . . . . . . . . . bmse001258 3 16 . 1 77.9055 . . . . . . . . . . . bmse001258 3 17 . 1 70.0073 . . . . . . . . . . . bmse001258 3 18 . 1 69.9871 . . . . . . . . . . . bmse001258 3 19 . 1 69.8505 . . . . . . . . . . . bmse001258 3 20 . 1 43.9471 . . . . . . . . . . . bmse001258 3 21 . 1 43.6366 . . . . . . . . . . . bmse001258 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 bmse001258 _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 . . . . . . bmse001258 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 . . bmse001258 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 . . . bmse001258 4 2 . . . bmse001258 4 3 . . . bmse001258 4 4 . . . bmse001258 4 5 . . . bmse001258 4 6 . . . bmse001258 4 7 . . . bmse001258 4 8 . . . bmse001258 4 9 . . . bmse001258 4 10 . . . bmse001258 4 11 . . . bmse001258 4 12 . . . bmse001258 4 13 . . . bmse001258 4 14 . . . bmse001258 4 15 . . . bmse001258 4 16 . . . bmse001258 4 17 . . . bmse001258 4 18 . . . bmse001258 4 19 . . . bmse001258 4 20 . . . bmse001258 4 21 . . . bmse001258 4 22 . . . bmse001258 4 23 . . . bmse001258 4 24 . . . bmse001258 4 25 . . . bmse001258 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 . 4.64 . 'relative height' bmse001258 4 2 . 5.39 . 'relative height' bmse001258 4 3 . 5.89 . 'relative height' bmse001258 4 4 . 4.69 . 'relative height' bmse001258 4 5 . 5.31 . 'relative height' bmse001258 4 6 . 5.38 . 'relative height' bmse001258 4 7 . 5.00 . 'relative height' bmse001258 4 8 . 4.51 . 'relative height' bmse001258 4 9 . 4.65 . 'relative height' bmse001258 4 10 . 5.46 . 'relative height' bmse001258 4 11 . 5.93 . 'relative height' bmse001258 4 12 . 6.25 . 'relative height' bmse001258 4 13 . 6.61 . 'relative height' bmse001258 4 14 . 7.89 . 'relative height' bmse001258 4 15 . 5.43 . 'relative height' bmse001258 4 16 . 6.06 . 'relative height' bmse001258 4 17 . 7.59 . 'relative height' bmse001258 4 18 . 8.18 . 'relative height' bmse001258 4 19 . 7.36 . 'relative height' bmse001258 4 20 . 6.83 . 'relative height' bmse001258 4 21 . -12.76 . 'relative height' bmse001258 4 22 . -15.00 . 'relative height' bmse001258 4 23 . -14.43 . 'relative height' bmse001258 4 24 . 5.25 . 'relative height' bmse001258 4 25 . 6.30 . 'relative height' bmse001258 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 . 1 135.8888 . . . . . . . . . . . bmse001258 4 2 . 1 135.0178 . . . . . . . . . . . bmse001258 4 3 . 1 120.0387 . . . . . . . . . . . bmse001258 4 4 . 1 118.6945 . . . . . . . . . . . bmse001258 4 5 . 1 117.5823 . . . . . . . . . . . bmse001258 4 6 . 1 115.9897 . . . . . . . . . . . bmse001258 4 7 . 1 115.5321 . . . . . . . . . . . bmse001258 4 8 . 1 115.1832 . . . . . . . . . . . bmse001258 4 9 . 1 112.4214 . . . . . . . . . . . bmse001258 4 10 . 1 112.0955 . . . . . . . . . . . bmse001258 4 11 . 1 84.9379 . . . . . . . . . . . bmse001258 4 12 . 1 84.8196 . . . . . . . . . . . bmse001258 4 13 . 1 80.6751 . . . . . . . . . . . bmse001258 4 14 . 1 80.5526 . . . . . . . . . . . bmse001258 4 15 . 1 77.9746 . . . . . . . . . . . bmse001258 4 16 . 1 77.9037 . . . . . . . . . . . bmse001258 4 17 . 1 70.0079 . . . . . . . . . . . bmse001258 4 18 . 1 69.9870 . . . . . . . . . . . bmse001258 4 19 . 1 69.9749 . . . . . . . . . . . bmse001258 4 20 . 1 69.8497 . . . . . . . . . . . bmse001258 4 21 . 1 62.1689 . . . . . . . . . . . bmse001258 4 22 . 1 62.1328 . . . . . . . . . . . bmse001258 4 23 . 1 61.1264 . . . . . . . . . . . bmse001258 4 24 . 1 43.9450 . . . . . . . . . . . bmse001258 4 25 . 1 43.6345 . . . . . . . . . . . bmse001258 4 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peaks_2D_1H-13C_HSQC_SW_small_set01 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peaks_2D_1H-13C_HSQC_SW_small_set01 _Spectral_peak_list.Entry_ID bmse001258 _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 7 _Spectral_peak_list.Experiment_name '2D 1H-13C HSQC SW small' _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' . . 106.73 ppm . . . . . . bmse001258 5 2 . . H 1 'Full H' . . 16.67 ppm . . . . . . bmse001258 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 . . bmse001258 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 . . . bmse001258 5 2 . . . bmse001258 5 3 . . . bmse001258 5 4 . . . bmse001258 5 5 . . . bmse001258 5 6 . . . bmse001258 5 7 . . . bmse001258 5 8 . . . bmse001258 5 9 . . . bmse001258 5 10 . . . bmse001258 5 11 . . . bmse001258 5 12 . . . bmse001258 5 13 . . . bmse001258 5 14 . . . bmse001258 5 15 . . . bmse001258 5 16 . . . bmse001258 5 17 . . . bmse001258 5 18 . . . bmse001258 5 19 . . . bmse001258 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 . 53423.71 . 'relative height' bmse001258 5 2 . 53341.59 . 'relative height' bmse001258 5 3 . 50924.72 . 'relative height' bmse001258 5 4 . 59732.52 . 'relative height' bmse001258 5 5 . 48421.44 . 'relative height' bmse001258 5 6 . 63209.25 . 'relative height' bmse001258 5 7 . 57753.93 . 'relative height' bmse001258 5 8 . 89269.72 . 'relative height' bmse001258 5 9 . 68998.54 . 'relative height' bmse001258 5 10 . 121482.07 . 'relative height' bmse001258 5 11 . 61665.56 . 'relative height' bmse001258 5 12 . 56010.77 . 'relative height' bmse001258 5 13 . 66863.44 . 'relative height' bmse001258 5 14 . 248206.13 . 'relative height' bmse001258 5 15 . 73860.89 . 'relative height' bmse001258 5 16 . 65360.93 . 'relative height' bmse001258 5 17 . 61779.61 . 'relative height' bmse001258 5 18 . 39798.15 . 'relative height' bmse001258 5 19 . 49299.67 . 'relative height' bmse001258 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 . 1 120.0272 . . . . . . . . . . . bmse001258 5 1 . 2 7.1004 . . . . . . . . . . . bmse001258 5 2 . 1 118.6143 . . . . . . . . . . . bmse001258 5 2 . 2 7.0785 . . . . . . . . . . . bmse001258 5 3 . 1 117.5781 . . . . . . . . . . . bmse001258 5 3 . 2 7.0346 . . . . . . . . . . . bmse001258 5 4 . 1 116.0004 . . . . . . . . . . . bmse001258 5 4 . 2 7.0273 . . . . . . . . . . . bmse001258 5 5 . 1 115.4117 . . . . . . . . . . . bmse001258 5 5 . 2 6.9102 . . . . . . . . . . . bmse001258 5 6 . 1 112.4210 . . . . . . . . . . . bmse001258 5 6 . 2 6.8700 . . . . . . . . . . . bmse001258 5 7 . 1 112.1620 . . . . . . . . . . . bmse001258 5 7 . 2 6.8517 . . . . . . . . . . . bmse001258 5 8 . 1 84.8315 . . . . . . . . . . . bmse001258 5 8 . 2 3.2865 . . . . . . . . . . . bmse001258 5 9 . 1 80.5918 . . . . . . . . . . . bmse001258 5 9 . 2 2.7388 . . . . . . . . . . . bmse001258 5 10 . 1 77.9968 . . . . . . . . . . . bmse001258 5 10 . 2 3.1131 . . . . . . . . . . . bmse001258 5 11 . 1 70.1020 . . . . . . . . . . . bmse001258 5 11 . 2 2.6954 . . . . . . . . . . . bmse001258 5 12 . 1 69.9558 . . . . . . . . . . . bmse001258 5 12 . 2 2.8118 . . . . . . . . . . . bmse001258 5 13 . 1 69.8097 . . . . . . . . . . . bmse001258 5 13 . 2 2.8666 . . . . . . . . . . . bmse001258 5 14 . 1 62.1022 . . . . . . . . . . . bmse001258 5 14 . 2 4.5710 . . . . . . . . . . . bmse001258 5 15 . 1 61.1157 . . . . . . . . . . . bmse001258 5 15 . 2 3.3806 . . . . . . . . . . . bmse001258 5 16 . 1 61.0709 . . . . . . . . . . . bmse001258 5 16 . 2 3.1488 . . . . . . . . . . . bmse001258 5 17 . 1 43.6947 . . . . . . . . . . . bmse001258 5 17 . 2 4.6005 . . . . . . . . . . . bmse001258 5 18 . 1 135.9573 . . . . . . . . . . . bmse001258 5 18 . 2 7.5653 . . . . . . . . . . . bmse001258 5 19 . 1 135.1348 . . . . . . . . . . . bmse001258 5 19 . 2 7.5504 . . . . . . . . . . . bmse001258 5 stop_ save_