######################### # 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 bmse001318 _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 . . . . . . bmse001318 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 . . bmse001318 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 . . . bmse001318 1 2 . . . bmse001318 1 3 . . . bmse001318 1 4 . . . bmse001318 1 5 . . . bmse001318 1 6 . . . bmse001318 1 7 . . . bmse001318 1 8 . . . bmse001318 1 9 . . . bmse001318 1 10 . . . bmse001318 1 11 . . . bmse001318 1 12 . . . bmse001318 1 13 . . . bmse001318 1 14 . . . bmse001318 1 15 . . . bmse001318 1 16 . . . bmse001318 1 17 . . . bmse001318 1 18 . . . bmse001318 1 19 . . . bmse001318 1 20 . . . bmse001318 1 21 . . . bmse001318 1 22 . . . bmse001318 1 23 . . . bmse001318 1 24 . . . bmse001318 1 25 . . . bmse001318 1 26 . . . bmse001318 1 27 . . . bmse001318 1 28 . . . bmse001318 1 29 . . . bmse001318 1 30 . . . bmse001318 1 31 . . . bmse001318 1 32 . . . bmse001318 1 33 . . . bmse001318 1 34 . . . bmse001318 1 35 . . . bmse001318 1 36 . . . bmse001318 1 37 . . . bmse001318 1 38 . . . bmse001318 1 39 . . . bmse001318 1 40 . . . bmse001318 1 41 . . . bmse001318 1 42 . . . bmse001318 1 43 . . . bmse001318 1 44 . . . bmse001318 1 45 . . . bmse001318 1 46 . . . bmse001318 1 47 . . . bmse001318 1 48 . . . bmse001318 1 49 . . . bmse001318 1 50 . . . bmse001318 1 51 . . . bmse001318 1 52 . . . bmse001318 1 53 . . . bmse001318 1 54 . . . bmse001318 1 55 . . . bmse001318 1 56 . . . bmse001318 1 57 . . . bmse001318 1 58 . . . bmse001318 1 59 . . . bmse001318 1 60 . . . bmse001318 1 61 . . . bmse001318 1 62 . . . bmse001318 1 63 . . . bmse001318 1 64 . . . bmse001318 1 65 . . . bmse001318 1 66 . . . bmse001318 1 67 . . . bmse001318 1 68 . . . bmse001318 1 69 . . . bmse001318 1 70 . . . bmse001318 1 71 . . . bmse001318 1 72 . . . bmse001318 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 . 0.68 . 'relative height' bmse001318 1 2 . 0.65 . 'relative height' bmse001318 1 3 . 0.20 . 'relative height' bmse001318 1 4 . 0.53 . 'relative height' bmse001318 1 5 . 0.24 . 'relative height' bmse001318 1 6 . 0.27 . 'relative height' bmse001318 1 7 . 0.26 . 'relative height' bmse001318 1 8 . 0.28 . 'relative height' bmse001318 1 9 . 0.14 . 'relative height' bmse001318 1 10 . 0.16 . 'relative height' bmse001318 1 11 . 0.55 . 'relative height' bmse001318 1 12 . 0.52 . 'relative height' bmse001318 1 13 . 0.29 . 'relative height' bmse001318 1 14 . 0.27 . 'relative height' bmse001318 1 15 . 0.23 . 'relative height' bmse001318 1 16 . 0.42 . 'relative height' bmse001318 1 17 . 0.41 . 'relative height' bmse001318 1 18 . 0.22 . 'relative height' bmse001318 1 19 . 0.19 . 'relative height' bmse001318 1 20 . 0.18 . 'relative height' bmse001318 1 21 . 0.18 . 'relative height' bmse001318 1 22 . 0.29 . 'relative height' bmse001318 1 23 . 0.28 . 'relative height' bmse001318 1 24 . 0.57 . 'relative height' bmse001318 1 25 . 0.38 . 'relative height' bmse001318 1 26 . 0.05 . 'relative height' bmse001318 1 27 . 0.42 . 'relative height' bmse001318 1 28 . 0.44 . 'relative height' bmse001318 1 29 . 0.53 . 'relative height' bmse001318 1 30 . 0.05 . 'relative height' bmse001318 1 31 . 0.43 . 'relative height' bmse001318 1 32 . 0.42 . 'relative height' bmse001318 1 33 . 0.47 . 'relative height' bmse001318 1 34 . 0.35 . 'relative height' bmse001318 1 35 . 0.49 . 'relative height' bmse001318 1 36 . 0.50 . 'relative height' bmse001318 1 37 . 0.29 . 'relative height' bmse001318 1 38 . 0.31 . 'relative height' bmse001318 1 39 . 0.13 . 'relative height' bmse001318 1 40 . 0.25 . 'relative height' bmse001318 1 41 . 0.13 . 'relative height' bmse001318 1 42 . 0.24 . 'relative height' bmse001318 1 43 . 0.26 . 'relative height' bmse001318 1 44 . 0.03 . 'relative height' bmse001318 1 45 . 0.07 . 'relative height' bmse001318 1 46 . 0.05 . 'relative height' bmse001318 1 47 . 0.06 . 'relative height' bmse001318 1 48 . 0.04 . 'relative height' bmse001318 1 49 . 0.07 . 'relative height' bmse001318 1 50 . 0.07 . 'relative height' bmse001318 1 51 . 0.13 . 'relative height' bmse001318 1 52 . 0.16 . 'relative height' bmse001318 1 53 . 0.13 . 'relative height' bmse001318 1 54 . 0.16 . 'relative height' bmse001318 1 55 . 0.14 . 'relative height' bmse001318 1 56 . 0.09 . 'relative height' bmse001318 1 57 . 0.07 . 'relative height' bmse001318 1 58 . 2.20 . 'relative height' bmse001318 1 59 . 2.14 . 'relative height' bmse001318 1 60 . 0.06 . 'relative height' bmse001318 1 61 . 0.09 . 'relative height' bmse001318 1 62 . 0.09 . 'relative height' bmse001318 1 63 . 0.11 . 'relative height' bmse001318 1 64 . 0.11 . 'relative height' bmse001318 1 65 . 0.12 . 'relative height' bmse001318 1 66 . 0.15 . 'relative height' bmse001318 1 67 . 0.13 . 'relative height' bmse001318 1 68 . 0.15 . 'relative height' bmse001318 1 69 . 0.12 . 'relative height' bmse001318 1 70 . 0.38 . 'relative height' bmse001318 1 71 . 0.30 . 'relative height' bmse001318 1 72 . 0.22 . 'relative height' bmse001318 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 11.9010 . . . . . . . . . . . bmse001318 1 2 . 1 11.8985 . . . . . . . . . . . bmse001318 1 3 . 1 10.8653 . . . . . . . . . . . bmse001318 1 4 . 1 9.1772 . . . . . . . . . . . bmse001318 1 5 . 1 7.0951 . . . . . . . . . . . bmse001318 1 6 . 1 7.0913 . . . . . . . . . . . bmse001318 1 7 . 1 7.0860 . . . . . . . . . . . bmse001318 1 8 . 1 7.0821 . . . . . . . . . . . bmse001318 1 9 . 1 7.0281 . . . . . . . . . . . bmse001318 1 10 . 1 7.0240 . . . . . . . . . . . bmse001318 1 11 . 1 7.0154 . . . . . . . . . . . bmse001318 1 12 . 1 7.0120 . . . . . . . . . . . bmse001318 1 13 . 1 7.0074 . . . . . . . . . . . bmse001318 1 14 . 1 7.0049 . . . . . . . . . . . bmse001318 1 15 . 1 7.0010 . . . . . . . . . . . bmse001318 1 16 . 1 6.9853 . . . . . . . . . . . bmse001318 1 17 . 1 6.9816 . . . . . . . . . . . bmse001318 1 18 . 1 6.9688 . . . . . . . . . . . bmse001318 1 19 . 1 6.9651 . . . . . . . . . . . bmse001318 1 20 . 1 6.8744 . . . . . . . . . . . bmse001318 1 21 . 1 6.8726 . . . . . . . . . . . bmse001318 1 22 . 1 6.8577 . . . . . . . . . . . bmse001318 1 23 . 1 6.8561 . . . . . . . . . . . bmse001318 1 24 . 1 6.8102 . . . . . . . . . . . bmse001318 1 25 . 1 6.7939 . . . . . . . . . . . bmse001318 1 26 . 1 5.9233 . . . . . . . . . . . bmse001318 1 27 . 1 5.9190 . . . . . . . . . . . bmse001318 1 28 . 1 5.9180 . . . . . . . . . . . bmse001318 1 29 . 1 5.9149 . . . . . . . . . . . bmse001318 1 30 . 1 5.8816 . . . . . . . . . . . bmse001318 1 31 . 1 5.8775 . . . . . . . . . . . bmse001318 1 32 . 1 5.8732 . . . . . . . . . . . bmse001318 1 33 . 1 5.8720 . . . . . . . . . . . bmse001318 1 34 . 1 5.8676 . . . . . . . . . . . bmse001318 1 35 . 1 5.8409 . . . . . . . . . . . bmse001318 1 36 . 1 5.8284 . . . . . . . . . . . bmse001318 1 37 . 1 5.0946 . . . . . . . . . . . bmse001318 1 38 . 1 5.0718 . . . . . . . . . . . bmse001318 1 39 . 1 4.9886 . . . . . . . . . . . bmse001318 1 40 . 1 4.9784 . . . . . . . . . . . bmse001318 1 41 . 1 4.9679 . . . . . . . . . . . bmse001318 1 42 . 1 4.9154 . . . . . . . . . . . bmse001318 1 43 . 1 4.8995 . . . . . . . . . . . bmse001318 1 44 . 1 4.6441 . . . . . . . . . . . bmse001318 1 45 . 1 4.6314 . . . . . . . . . . . bmse001318 1 46 . 1 4.6189 . . . . . . . . . . . bmse001318 1 47 . 1 4.6087 . . . . . . . . . . . bmse001318 1 48 . 1 4.5961 . . . . . . . . . . . bmse001318 1 49 . 1 4.1911 . . . . . . . . . . . bmse001318 1 50 . 1 4.1862 . . . . . . . . . . . bmse001318 1 51 . 1 4.1815 . . . . . . . . . . . bmse001318 1 52 . 1 4.1762 . . . . . . . . . . . bmse001318 1 53 . 1 4.1717 . . . . . . . . . . . bmse001318 1 54 . 1 4.1661 . . . . . . . . . . . bmse001318 1 55 . 1 4.1608 . . . . . . . . . . . bmse001318 1 56 . 1 4.1564 . . . . . . . . . . . bmse001318 1 57 . 1 4.1511 . . . . . . . . . . . bmse001318 1 58 . 1 3.7789 . . . . . . . . . . . bmse001318 1 59 . 1 3.7767 . . . . . . . . . . . bmse001318 1 60 . 1 3.7365 . . . . . . . . . . . bmse001318 1 61 . 1 3.7332 . . . . . . . . . . . bmse001318 1 62 . 1 3.5571 . . . . . . . . . . . bmse001318 1 63 . 1 3.5524 . . . . . . . . . . . bmse001318 1 64 . 1 3.5474 . . . . . . . . . . . bmse001318 1 65 . 1 3.5424 . . . . . . . . . . . bmse001318 1 66 . 1 3.5326 . . . . . . . . . . . bmse001318 1 67 . 1 3.5279 . . . . . . . . . . . bmse001318 1 68 . 1 3.5227 . . . . . . . . . . . bmse001318 1 69 . 1 3.5183 . . . . . . . . . . . bmse001318 1 70 . 1 3.3403 . . . . . . . . . . . bmse001318 1 71 . 1 3.3259 . . . . . . . . . . . bmse001318 1 72 . 1 3.3161 . . . . . . . . . . . bmse001318 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 bmse001318 _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 . . . . . . bmse001318 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 . . bmse001318 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 . . . bmse001318 2 2 . . . bmse001318 2 3 . . . bmse001318 2 4 . . . bmse001318 2 5 . . . bmse001318 2 6 . . . bmse001318 2 7 . . . bmse001318 2 8 . . . bmse001318 2 9 . . . bmse001318 2 10 . . . bmse001318 2 11 . . . bmse001318 2 12 . . . bmse001318 2 13 . . . bmse001318 2 14 . . . bmse001318 2 15 . . . bmse001318 2 16 . . . bmse001318 2 17 . . . bmse001318 2 18 . . . bmse001318 2 19 . . . bmse001318 2 20 . . . bmse001318 2 21 . . . bmse001318 2 22 . . . bmse001318 2 23 . . . bmse001318 2 24 . . . bmse001318 2 25 . . . bmse001318 2 26 . . . bmse001318 2 27 . . . bmse001318 2 28 . . . bmse001318 2 29 . . . bmse001318 2 30 . . . bmse001318 2 31 . . . bmse001318 2 32 . . . bmse001318 2 33 . . . bmse001318 2 34 . . . bmse001318 2 35 . . . bmse001318 2 36 . . . bmse001318 2 37 . . . bmse001318 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 . 0.08 . 'relative height' bmse001318 2 2 . 0.08 . 'relative height' bmse001318 2 3 . 0.14 . 'relative height' bmse001318 2 4 . 0.16 . 'relative height' bmse001318 2 5 . 0.10 . 'relative height' bmse001318 2 6 . 0.10 . 'relative height' bmse001318 2 7 . 0.13 . 'relative height' bmse001318 2 8 . 0.13 . 'relative height' bmse001318 2 9 . 0.09 . 'relative height' bmse001318 2 10 . 0.10 . 'relative height' bmse001318 2 11 . 0.08 . 'relative height' bmse001318 2 12 . 0.09 . 'relative height' bmse001318 2 13 . 0.08 . 'relative height' bmse001318 2 14 . 0.07 . 'relative height' bmse001318 2 15 . 0.12 . 'relative height' bmse001318 2 16 . 0.06 . 'relative height' bmse001318 2 17 . 0.06 . 'relative height' bmse001318 2 18 . 0.11 . 'relative height' bmse001318 2 19 . 0.08 . 'relative height' bmse001318 2 20 . 0.07 . 'relative height' bmse001318 2 21 . 0.08 . 'relative height' bmse001318 2 22 . 0.07 . 'relative height' bmse001318 2 23 . 0.11 . 'relative height' bmse001318 2 24 . 0.08 . 'relative height' bmse001318 2 25 . 0.08 . 'relative height' bmse001318 2 26 . 0.17 . 'relative height' bmse001318 2 27 . 0.12 . 'relative height' bmse001318 2 28 . 0.16 . 'relative height' bmse001318 2 29 . 0.09 . 'relative height' bmse001318 2 30 . 0.09 . 'relative height' bmse001318 2 31 . 0.09 . 'relative height' bmse001318 2 32 . 0.10 . 'relative height' bmse001318 2 33 . 0.16 . 'relative height' bmse001318 2 34 . 0.09 . 'relative height' bmse001318 2 35 . 0.09 . 'relative height' bmse001318 2 36 . 0.13 . 'relative height' bmse001318 2 37 . 0.31 . 'relative height' bmse001318 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 . 1 197.8914 . . . . . . . . . . . bmse001318 2 2 . 1 197.8645 . . . . . . . . . . . bmse001318 2 3 . 1 166.8115 . . . . . . . . . . . bmse001318 2 4 . 1 163.2988 . . . . . . . . . . . bmse001318 2 5 . 1 162.4988 . . . . . . . . . . . bmse001318 2 6 . 1 162.4871 . . . . . . . . . . . bmse001318 2 7 . 1 147.6185 . . . . . . . . . . . bmse001318 2 8 . 1 146.9872 . . . . . . . . . . . bmse001318 2 9 . 1 143.6684 . . . . . . . . . . . bmse001318 2 10 . 1 143.6369 . . . . . . . . . . . bmse001318 2 11 . 1 143.2685 . . . . . . . . . . . bmse001318 2 12 . 1 143.2439 . . . . . . . . . . . bmse001318 2 13 . 1 130.1051 . . . . . . . . . . . bmse001318 2 14 . 1 130.0593 . . . . . . . . . . . bmse001318 2 15 . 1 127.4634 . . . . . . . . . . . bmse001318 2 16 . 1 121.4147 . . . . . . . . . . . bmse001318 2 17 . 1 121.2124 . . . . . . . . . . . bmse001318 2 18 . 1 120.5215 . . . . . . . . . . . bmse001318 2 19 . 1 116.6804 . . . . . . . . . . . bmse001318 2 20 . 1 116.5633 . . . . . . . . . . . bmse001318 2 21 . 1 116.3657 . . . . . . . . . . . bmse001318 2 22 . 1 116.3078 . . . . . . . . . . . bmse001318 2 23 . 1 115.2853 . . . . . . . . . . . bmse001318 2 24 . 1 111.6119 . . . . . . . . . . . bmse001318 2 25 . 1 111.5552 . . . . . . . . . . . bmse001318 2 26 . 1 100.4691 . . . . . . . . . . . bmse001318 2 27 . 1 96.0540 . . . . . . . . . . . bmse001318 2 28 . 1 95.0274 . . . . . . . . . . . bmse001318 2 29 . 1 82.5560 . . . . . . . . . . . bmse001318 2 30 . 1 82.5203 . . . . . . . . . . . bmse001318 2 31 . 1 78.1188 . . . . . . . . . . . bmse001318 2 32 . 1 78.0920 . . . . . . . . . . . bmse001318 2 33 . 1 75.8656 . . . . . . . . . . . bmse001318 2 34 . 1 71.4450 . . . . . . . . . . . bmse001318 2 35 . 1 71.3687 . . . . . . . . . . . bmse001318 2 36 . 1 60.1624 . . . . . . . . . . . bmse001318 2 37 . 1 55.6501 . . . . . . . . . . . bmse001318 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 . . . . 22 197.8914 1 . 1 1 1 BMET001318 C22 . . . bmse001318 2 3 1 . . . . 13 166.8115 1 . 1 1 1 BMET001318 C13 . . . bmse001318 2 4 1 . . . . 15 163.2988 1 . 1 1 1 BMET001318 C15 . . . bmse001318 2 5 1 . . . . 19 162.4988 1 . 1 1 1 BMET001318 C19 . . . bmse001318 2 7 1 . . . . 17 147.6185 1 . 1 1 1 BMET001318 C17 . . . bmse001318 2 8 1 . . . . 14 146.9872 1 . 1 1 1 BMET001318 C14 . . . bmse001318 2 13 1 . . . . 12 130.1051 1 . 1 1 1 BMET001318 C12 . . . bmse001318 2 15 1 . . . . 11 127.4634 1 . 1 1 1 BMET001318 C11 . . . bmse001318 2 26 1 . . . . 21 100.4691 1 . 1 1 1 BMET001318 C21 . . . bmse001318 2 27 1 . . . . 8 96.0540 1 . 1 1 1 BMET001318 C8 . . . bmse001318 2 28 1 . . . . 9 95.0274 1 . 1 1 1 BMET001318 C9 . . . bmse001318 2 29 1 . . . . 25 82.5560 1 . 1 1 1 BMET001318 C25 . . . bmse001318 2 31 1 . . . . 24 78.1188 1 . 1 1 1 BMET001318 C24 . . . bmse001318 2 33 1 . . . . 20 75.8656 1 . 1 1 1 BMET001318 C20 . . . bmse001318 2 34 1 . . . . 23 71.4450 1 . 1 1 1 BMET001318 C23 . . . bmse001318 2 36 1 . . . . 10 60.1624 1 . 1 1 1 BMET001318 C10 . . . bmse001318 2 37 1 . . . . 1 55.6501 1 . 1 1 1 BMET001318 C1 . . . bmse001318 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 bmse001318 _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 . . . . . . bmse001318 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 . . bmse001318 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 . . . bmse001318 3 2 . . . bmse001318 3 3 . . . bmse001318 3 4 . . . bmse001318 3 5 . . . bmse001318 3 6 . . . bmse001318 3 7 . . . bmse001318 3 8 . . . bmse001318 3 9 . . . bmse001318 3 10 . . . bmse001318 3 11 . . . bmse001318 3 12 . . . bmse001318 3 13 . . . bmse001318 3 14 . . . bmse001318 3 15 . . . bmse001318 3 16 . . . bmse001318 3 17 . . . bmse001318 3 18 . . . bmse001318 3 19 . . . bmse001318 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 . 5.48 . 'relative height' bmse001318 3 2 . 5.72 . 'relative height' bmse001318 3 3 . 9.58 . 'relative height' bmse001318 3 4 . 7.54 . 'relative height' bmse001318 3 5 . 6.78 . 'relative height' bmse001318 3 6 . 7.30 . 'relative height' bmse001318 3 7 . 6.81 . 'relative height' bmse001318 3 8 . 10.37 . 'relative height' bmse001318 3 9 . 7.17 . 'relative height' bmse001318 3 10 . 7.39 . 'relative height' bmse001318 3 11 . 13.17 . 'relative height' bmse001318 3 12 . 14.95 . 'relative height' bmse001318 3 13 . 8.38 . 'relative height' bmse001318 3 14 . 9.08 . 'relative height' bmse001318 3 15 . 9.41 . 'relative height' bmse001318 3 16 . 9.68 . 'relative height' bmse001318 3 17 . 15.00 . 'relative height' bmse001318 3 18 . 8.73 . 'relative height' bmse001318 3 19 . 8.07 . 'relative height' bmse001318 3 stop_ loop_ _Spectral_transition_char.Spectral_transition_ID _Spectral_transition_char.Peak_ID _Spectral_transition_char.Spectral_dim_ID _Spectral_transition_char.Chem_shift_val _Spectral_transition_char.Chem_shift_val_err _Spectral_transition_char.Line_width_val _Spectral_transition_char.Line_width_val_err _Spectral_transition_char.Phase_val _Spectral_transition_char.Phase_val_err _Spectral_transition_char.Decay_rate_val _Spectral_transition_char.Decay_rate_val_err _Spectral_transition_char.Bounding_box_upper_val _Spectral_transition_char.Bounding_box_lower_val _Spectral_transition_char.Bounding_box_width_val _Spectral_transition_char.Derivation_method_ID _Spectral_transition_char.Entry_ID _Spectral_transition_char.Spectral_peak_list_ID 1 . 1 121.1706 . . . . . . . . . . . bmse001318 3 2 . 1 120.9672 . . . . . . . . . . . bmse001318 3 3 . 1 120.2778 . . . . . . . . . . . bmse001318 3 4 . 1 116.4358 . . . . . . . . . . . bmse001318 3 5 . 1 116.3185 . . . . . . . . . . . bmse001318 3 6 . 1 116.1201 . . . . . . . . . . . bmse001318 3 7 . 1 116.0631 . . . . . . . . . . . bmse001318 3 8 . 1 115.0391 . . . . . . . . . . . bmse001318 3 9 . 1 111.3661 . . . . . . . . . . . bmse001318 3 10 . 1 111.3092 . . . . . . . . . . . bmse001318 3 11 . 1 95.8086 . . . . . . . . . . . bmse001318 3 12 . 1 94.7813 . . . . . . . . . . . bmse001318 3 13 . 1 82.3113 . . . . . . . . . . . bmse001318 3 14 . 1 82.2754 . . . . . . . . . . . bmse001318 3 15 . 1 77.8739 . . . . . . . . . . . bmse001318 3 16 . 1 77.8462 . . . . . . . . . . . bmse001318 3 17 . 1 75.6201 . . . . . . . . . . . bmse001318 3 18 . 1 71.1987 . . . . . . . . . . . bmse001318 3 19 . 1 71.1222 . . . . . . . . . . . bmse001318 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 bmse001318 _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 . . . . . . bmse001318 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 . . bmse001318 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 . . . bmse001318 4 2 . . . bmse001318 4 3 . . . bmse001318 4 4 . . . bmse001318 4 5 . . . bmse001318 4 6 . . . bmse001318 4 7 . . . bmse001318 4 8 . . . bmse001318 4 9 . . . bmse001318 4 10 . . . bmse001318 4 11 . . . bmse001318 4 12 . . . bmse001318 4 13 . . . bmse001318 4 14 . . . bmse001318 4 15 . . . bmse001318 4 16 . . . bmse001318 4 17 . . . bmse001318 4 18 . . . bmse001318 4 19 . . . bmse001318 4 20 . . . bmse001318 4 21 . . . bmse001318 4 22 . . . bmse001318 4 23 . . . bmse001318 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 . 1.82 . 'relative height' bmse001318 4 2 . 1.90 . 'relative height' bmse001318 4 3 . 2.80 . 'relative height' bmse001318 4 4 . 3.08 . 'relative height' bmse001318 4 5 . 2.49 . 'relative height' bmse001318 4 6 . 2.13 . 'relative height' bmse001318 4 7 . 2.60 . 'relative height' bmse001318 4 8 . 2.39 . 'relative height' bmse001318 4 9 . 3.12 . 'relative height' bmse001318 4 10 . 3.44 . 'relative height' bmse001318 4 11 . 2.34 . 'relative height' bmse001318 4 12 . 2.57 . 'relative height' bmse001318 4 13 . 4.15 . 'relative height' bmse001318 4 14 . 5.18 . 'relative height' bmse001318 4 15 . 2.92 . 'relative height' bmse001318 4 16 . 3.09 . 'relative height' bmse001318 4 17 . 3.46 . 'relative height' bmse001318 4 18 . 3.32 . 'relative height' bmse001318 4 19 . 5.02 . 'relative height' bmse001318 4 20 . 3.42 . 'relative height' bmse001318 4 21 . 2.77 . 'relative height' bmse001318 4 22 . -5.42 . 'relative height' bmse001318 4 23 . 15.00 . 'relative height' bmse001318 4 stop_ loop_ _Spectral_transition_char.Spectral_transition_ID _Spectral_transition_char.Peak_ID _Spectral_transition_char.Spectral_dim_ID _Spectral_transition_char.Chem_shift_val _Spectral_transition_char.Chem_shift_val_err _Spectral_transition_char.Line_width_val _Spectral_transition_char.Line_width_val_err _Spectral_transition_char.Phase_val _Spectral_transition_char.Phase_val_err _Spectral_transition_char.Decay_rate_val _Spectral_transition_char.Decay_rate_val_err _Spectral_transition_char.Bounding_box_upper_val _Spectral_transition_char.Bounding_box_lower_val _Spectral_transition_char.Bounding_box_width_val _Spectral_transition_char.Derivation_method_ID _Spectral_transition_char.Entry_ID _Spectral_transition_char.Spectral_peak_list_ID 1 . 1 121.1459 . . . . . . . . . . . bmse001318 4 2 . 1 120.9425 . . . . . . . . . . . bmse001318 4 3 . 1 120.2560 . . . . . . . . . . . bmse001318 4 4 . 1 120.2443 . . . . . . . . . . . bmse001318 4 5 . 1 116.4115 . . . . . . . . . . . bmse001318 4 6 . 1 116.2931 . . . . . . . . . . . bmse001318 4 7 . 1 116.0954 . . . . . . . . . . . bmse001318 4 8 . 1 116.0380 . . . . . . . . . . . bmse001318 4 9 . 1 115.0172 . . . . . . . . . . . bmse001318 4 10 . 1 115.0047 . . . . . . . . . . . bmse001318 4 11 . 1 111.3416 . . . . . . . . . . . bmse001318 4 12 . 1 111.2839 . . . . . . . . . . . bmse001318 4 13 . 1 95.7846 . . . . . . . . . . . bmse001318 4 14 . 1 94.7569 . . . . . . . . . . . bmse001318 4 15 . 1 82.2883 . . . . . . . . . . . bmse001318 4 16 . 1 82.2520 . . . . . . . . . . . bmse001318 4 17 . 1 77.8512 . . . . . . . . . . . bmse001318 4 18 . 1 77.8224 . . . . . . . . . . . bmse001318 4 19 . 1 75.5966 . . . . . . . . . . . bmse001318 4 20 . 1 71.1751 . . . . . . . . . . . bmse001318 4 21 . 1 71.0987 . . . . . . . . . . . bmse001318 4 22 . 1 59.8933 . . . . . . . . . . . bmse001318 4 23 . 1 55.3825 . . . . . . . . . . . bmse001318 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 bmse001318 _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 . . . . . . bmse001318 5 2 . . H 1 'Full H' . . 12.99 ppm . . . . . . bmse001318 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 . . bmse001318 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 . . . bmse001318 5 2 . . . bmse001318 5 3 . . . bmse001318 5 4 . . . bmse001318 5 5 . . . bmse001318 5 6 . . . bmse001318 5 7 . . . bmse001318 5 8 . . . bmse001318 5 9 . . . bmse001318 5 10 . . . bmse001318 5 11 . . . bmse001318 5 12 . . . bmse001318 5 13 . . . bmse001318 5 14 . . . bmse001318 5 15 . . . bmse001318 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 . 75977.64 . 'relative height' bmse001318 5 2 . 98241.46 . 'relative height' bmse001318 5 3 . 128037.84 . 'relative height' bmse001318 5 4 . 105466.65 . 'relative height' bmse001318 5 5 . 125109.68 . 'relative height' bmse001318 5 6 . 147627.99 . 'relative height' bmse001318 5 7 . 105371.13 . 'relative height' bmse001318 5 8 . 126403.61 . 'relative height' bmse001318 5 9 . 123108.06 . 'relative height' bmse001318 5 10 . 134785.58 . 'relative height' bmse001318 5 11 . 142458.79 . 'relative height' bmse001318 5 12 . 117239.64 . 'relative height' bmse001318 5 13 . 83238.49 . 'relative height' bmse001318 5 14 . 96418.71 . 'relative height' bmse001318 5 15 . 382601.98 . 'relative height' bmse001318 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 . 1 120.9784 . . . . . . . . . . . bmse001318 5 1 . 2 7.0186 . . . . . . . . . . . bmse001318 5 2 . 1 120.1355 . . . . . . . . . . . bmse001318 5 2 . 2 6.8685 . . . . . . . . . . . bmse001318 5 3 . 1 116.3177 . . . . . . . . . . . bmse001318 5 3 . 2 7.0936 . . . . . . . . . . . bmse001318 5 4 . 1 116.0203 . . . . . . . . . . . bmse001318 5 4 . 2 6.9861 . . . . . . . . . . . bmse001318 5 5 . 1 114.9295 . . . . . . . . . . . bmse001318 5 5 . 2 6.8110 . . . . . . . . . . . bmse001318 5 6 . 1 111.2605 . . . . . . . . . . . bmse001318 5 6 . 2 7.0261 . . . . . . . . . . . bmse001318 5 7 . 1 95.7663 . . . . . . . . . . . bmse001318 5 7 . 2 5.9256 . . . . . . . . . . . bmse001318 5 8 . 1 94.7251 . . . . . . . . . . . bmse001318 5 8 . 2 5.8804 . . . . . . . . . . . bmse001318 5 9 . 1 82.1304 . . . . . . . . . . . bmse001318 5 9 . 2 5.0803 . . . . . . . . . . . bmse001318 5 10 . 1 77.7306 . . . . . . . . . . . bmse001318 5 10 . 2 4.1799 . . . . . . . . . . . bmse001318 5 11 . 1 75.5307 . . . . . . . . . . . bmse001318 5 11 . 2 4.9090 . . . . . . . . . . . bmse001318 5 12 . 1 71.0877 . . . . . . . . . . . bmse001318 5 12 . 2 4.6272 . . . . . . . . . . . bmse001318 5 13 . 1 59.7207 . . . . . . . . . . . bmse001318 5 13 . 2 3.3507 . . . . . . . . . . . bmse001318 5 14 . 1 59.7207 . . . . . . . . . . . bmse001318 5 14 . 2 3.5449 . . . . . . . . . . . bmse001318 5 15 . 1 55.2485 . . . . . . . . . . . bmse001318 5 15 . 2 3.7816 . . . . . . . . . . . bmse001318 5 stop_ save_