######################### # 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 bmse001309 _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 . . . . . . bmse001309 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 . . bmse001309 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 . . . bmse001309 1 2 . . . bmse001309 1 3 . . . bmse001309 1 4 . . . bmse001309 1 5 . . . bmse001309 1 6 . . . bmse001309 1 7 . . . bmse001309 1 8 . . . bmse001309 1 9 . . . bmse001309 1 10 . . . bmse001309 1 11 . . . bmse001309 1 12 . . . bmse001309 1 13 . . . bmse001309 1 14 . . . bmse001309 1 15 . . . bmse001309 1 16 . . . bmse001309 1 17 . . . bmse001309 1 18 . . . bmse001309 1 19 . . . bmse001309 1 20 . . . bmse001309 1 21 . . . bmse001309 1 22 . . . bmse001309 1 23 . . . bmse001309 1 24 . . . bmse001309 1 25 . . . bmse001309 1 26 . . . bmse001309 1 27 . . . bmse001309 1 28 . . . bmse001309 1 29 . . . bmse001309 1 30 . . . bmse001309 1 31 . . . bmse001309 1 32 . . . bmse001309 1 33 . . . bmse001309 1 34 . . . bmse001309 1 35 . . . bmse001309 1 36 . . . bmse001309 1 37 . . . bmse001309 1 38 . . . bmse001309 1 39 . . . bmse001309 1 40 . . . bmse001309 1 41 . . . bmse001309 1 42 . . . bmse001309 1 43 . . . bmse001309 1 44 . . . bmse001309 1 45 . . . bmse001309 1 46 . . . bmse001309 1 47 . . . bmse001309 1 48 . . . bmse001309 1 49 . . . bmse001309 1 50 . . . bmse001309 1 51 . . . bmse001309 1 52 . . . bmse001309 1 53 . . . bmse001309 1 54 . . . bmse001309 1 55 . . . bmse001309 1 56 . . . bmse001309 1 57 . . . bmse001309 1 58 . . . bmse001309 1 59 . . . bmse001309 1 60 . . . bmse001309 1 61 . . . bmse001309 1 62 . . . bmse001309 1 63 . . . bmse001309 1 64 . . . bmse001309 1 65 . . . bmse001309 1 66 . . . bmse001309 1 67 . . . bmse001309 1 68 . . . bmse001309 1 69 . . . bmse001309 1 70 . . . bmse001309 1 71 . . . bmse001309 1 72 . . . bmse001309 1 73 . . . bmse001309 1 74 . . . bmse001309 1 75 . . . bmse001309 1 76 . . . bmse001309 1 77 . . . bmse001309 1 78 . . . bmse001309 1 79 . . . bmse001309 1 80 . . . bmse001309 1 81 . . . bmse001309 1 82 . . . bmse001309 1 83 . . . bmse001309 1 84 . . . bmse001309 1 85 . . . bmse001309 1 86 . . . bmse001309 1 stop_ loop_ _Spectral_transition_general_char.Spectral_transition_ID _Spectral_transition_general_char.Peak_ID _Spectral_transition_general_char.Intensity_val _Spectral_transition_general_char.Intensity_val_err _Spectral_transition_general_char.Measurement_method _Spectral_transition_general_char.Entry_ID _Spectral_transition_general_char.Spectral_peak_list_ID 1 . 1.00 . 'relative height' bmse001309 1 2 . 1.57 . 'relative height' bmse001309 1 3 . 0.85 . 'relative height' bmse001309 1 4 . 1.05 . 'relative height' bmse001309 1 5 . 1.11 . 'relative height' bmse001309 1 6 . 0.99 . 'relative height' bmse001309 1 7 . 0.40 . 'relative height' bmse001309 1 8 . 0.44 . 'relative height' bmse001309 1 9 . 0.69 . 'relative height' bmse001309 1 10 . 0.68 . 'relative height' bmse001309 1 11 . 0.48 . 'relative height' bmse001309 1 12 . 0.43 . 'relative height' bmse001309 1 13 . 1.14 . 'relative height' bmse001309 1 14 . 1.34 . 'relative height' bmse001309 1 15 . 1.25 . 'relative height' bmse001309 1 16 . 1.25 . 'relative height' bmse001309 1 17 . 15.00 . 'relative height' bmse001309 1 18 . 0.17 . 'relative height' bmse001309 1 19 . 0.15 . 'relative height' bmse001309 1 20 . 1.90 . 'relative height' bmse001309 1 21 . 0.25 . 'relative height' bmse001309 1 22 . 1.73 . 'relative height' bmse001309 1 23 . 0.42 . 'relative height' bmse001309 1 24 . 0.83 . 'relative height' bmse001309 1 25 . 1.10 . 'relative height' bmse001309 1 26 . 0.76 . 'relative height' bmse001309 1 27 . 0.33 . 'relative height' bmse001309 1 28 . 1.16 . 'relative height' bmse001309 1 29 . 1.23 . 'relative height' bmse001309 1 30 . 0.19 . 'relative height' bmse001309 1 31 . 0.22 . 'relative height' bmse001309 1 32 . 0.25 . 'relative height' bmse001309 1 33 . 0.35 . 'relative height' bmse001309 1 34 . 0.67 . 'relative height' bmse001309 1 35 . 0.65 . 'relative height' bmse001309 1 36 . 1.04 . 'relative height' bmse001309 1 37 . 1.18 . 'relative height' bmse001309 1 38 . 1.44 . 'relative height' bmse001309 1 39 . 1.38 . 'relative height' bmse001309 1 40 . 0.50 . 'relative height' bmse001309 1 41 . 0.70 . 'relative height' bmse001309 1 42 . 0.64 . 'relative height' bmse001309 1 43 . 0.28 . 'relative height' bmse001309 1 44 . 0.26 . 'relative height' bmse001309 1 45 . 0.70 . 'relative height' bmse001309 1 46 . 0.81 . 'relative height' bmse001309 1 47 . 0.88 . 'relative height' bmse001309 1 48 . 0.71 . 'relative height' bmse001309 1 49 . 0.14 . 'relative height' bmse001309 1 50 . 1.10 . 'relative height' bmse001309 1 51 . 2.06 . 'relative height' bmse001309 1 52 . 1.60 . 'relative height' bmse001309 1 53 . 2.02 . 'relative height' bmse001309 1 54 . 2.01 . 'relative height' bmse001309 1 55 . 0.50 . 'relative height' bmse001309 1 56 . 0.63 . 'relative height' bmse001309 1 57 . 0.85 . 'relative height' bmse001309 1 58 . 0.98 . 'relative height' bmse001309 1 59 . 1.00 . 'relative height' bmse001309 1 60 . 0.83 . 'relative height' bmse001309 1 61 . 0.22 . 'relative height' bmse001309 1 62 . 0.39 . 'relative height' bmse001309 1 63 . 10.51 . 'relative height' bmse001309 1 64 . 1.22 . 'relative height' bmse001309 1 65 . 0.29 . 'relative height' bmse001309 1 66 . 0.14 . 'relative height' bmse001309 1 67 . 2.25 . 'relative height' bmse001309 1 68 . 0.15 . 'relative height' bmse001309 1 69 . 0.53 . 'relative height' bmse001309 1 70 . 0.41 . 'relative height' bmse001309 1 71 . 0.32 . 'relative height' bmse001309 1 72 . 10.44 . 'relative height' bmse001309 1 73 . 10.97 . 'relative height' bmse001309 1 74 . 1.25 . 'relative height' bmse001309 1 75 . 1.29 . 'relative height' bmse001309 1 76 . 1.07 . 'relative height' bmse001309 1 77 . 7.56 . 'relative height' bmse001309 1 78 . 14.50 . 'relative height' bmse001309 1 79 . 0.96 . 'relative height' bmse001309 1 80 . 5.35 . 'relative height' bmse001309 1 81 . 5.10 . 'relative height' bmse001309 1 82 . 0.15 . 'relative height' bmse001309 1 83 . 0.42 . 'relative height' bmse001309 1 84 . 0.63 . 'relative height' bmse001309 1 85 . 1.09 . 'relative height' bmse001309 1 86 . 0.60 . 'relative height' bmse001309 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 5.1768 . . . . . . . . . . . bmse001309 1 2 . 1 5.1700 . . . . . . . . . . . bmse001309 1 3 . 1 5.1632 . . . . . . . . . . . bmse001309 1 4 . 1 4.2497 . . . . . . . . . . . bmse001309 1 5 . 1 4.0440 . . . . . . . . . . . bmse001309 1 6 . 1 4.0377 . . . . . . . . . . . bmse001309 1 7 . 1 3.5381 . . . . . . . . . . . bmse001309 1 8 . 1 3.5292 . . . . . . . . . . . bmse001309 1 9 . 1 3.5162 . . . . . . . . . . . bmse001309 1 10 . 1 3.5103 . . . . . . . . . . . bmse001309 1 11 . 1 3.4970 . . . . . . . . . . . bmse001309 1 12 . 1 3.4878 . . . . . . . . . . . bmse001309 1 13 . 1 3.3862 . . . . . . . . . . . bmse001309 1 14 . 1 3.3650 . . . . . . . . . . . bmse001309 1 15 . 1 3.2081 . . . . . . . . . . . bmse001309 1 16 . 1 3.1869 . . . . . . . . . . . bmse001309 1 17 . 1 3.1714 . . . . . . . . . . . bmse001309 1 18 . 1 3.1633 . . . . . . . . . . . bmse001309 1 19 . 1 3.1623 . . . . . . . . . . . bmse001309 1 20 . 1 3.1204 . . . . . . . . . . . bmse001309 1 21 . 1 3.1113 . . . . . . . . . . . bmse001309 1 22 . 1 3.1016 . . . . . . . . . . . bmse001309 1 23 . 1 2.5154 . . . . . . . . . . . bmse001309 1 24 . 1 2.5119 . . . . . . . . . . . bmse001309 1 25 . 1 2.5082 . . . . . . . . . . . bmse001309 1 26 . 1 2.5047 . . . . . . . . . . . bmse001309 1 27 . 1 2.5011 . . . . . . . . . . . bmse001309 1 28 . 1 2.1371 . . . . . . . . . . . bmse001309 1 29 . 1 2.1145 . . . . . . . . . . . bmse001309 1 30 . 1 1.9977 . . . . . . . . . . . bmse001309 1 31 . 1 1.9920 . . . . . . . . . . . bmse001309 1 32 . 1 1.9747 . . . . . . . . . . . bmse001309 1 33 . 1 1.9682 . . . . . . . . . . . bmse001309 1 34 . 1 1.9604 . . . . . . . . . . . bmse001309 1 35 . 1 1.9553 . . . . . . . . . . . bmse001309 1 36 . 1 1.9380 . . . . . . . . . . . bmse001309 1 37 . 1 1.9320 . . . . . . . . . . . bmse001309 1 38 . 1 1.9209 . . . . . . . . . . . bmse001309 1 39 . 1 1.8911 . . . . . . . . . . . bmse001309 1 40 . 1 1.8728 . . . . . . . . . . . bmse001309 1 41 . 1 1.8645 . . . . . . . . . . . bmse001309 1 42 . 1 1.8576 . . . . . . . . . . . bmse001309 1 43 . 1 1.8373 . . . . . . . . . . . bmse001309 1 44 . 1 1.8306 . . . . . . . . . . . bmse001309 1 45 . 1 1.7431 . . . . . . . . . . . bmse001309 1 46 . 1 1.7342 . . . . . . . . . . . bmse001309 1 47 . 1 1.7184 . . . . . . . . . . . bmse001309 1 48 . 1 1.7097 . . . . . . . . . . . bmse001309 1 49 . 1 1.6175 . . . . . . . . . . . bmse001309 1 50 . 1 1.5904 . . . . . . . . . . . bmse001309 1 51 . 1 1.5659 . . . . . . . . . . . bmse001309 1 52 . 1 1.5406 . . . . . . . . . . . bmse001309 1 53 . 1 1.5278 . . . . . . . . . . . bmse001309 1 54 . 1 1.5186 . . . . . . . . . . . bmse001309 1 55 . 1 1.4932 . . . . . . . . . . . bmse001309 1 56 . 1 1.4486 . . . . . . . . . . . bmse001309 1 57 . 1 1.4248 . . . . . . . . . . . bmse001309 1 58 . 1 1.4036 . . . . . . . . . . . bmse001309 1 59 . 1 1.4001 . . . . . . . . . . . bmse001309 1 60 . 1 1.3759 . . . . . . . . . . . bmse001309 1 61 . 1 1.3509 . . . . . . . . . . . bmse001309 1 62 . 1 1.3383 . . . . . . . . . . . bmse001309 1 63 . 1 1.2868 . . . . . . . . . . . bmse001309 1 64 . 1 1.2731 . . . . . . . . . . . bmse001309 1 65 . 1 1.2386 . . . . . . . . . . . bmse001309 1 66 . 1 1.1926 . . . . . . . . . . . bmse001309 1 67 . 1 1.1513 . . . . . . . . . . . bmse001309 1 68 . 1 1.1279 . . . . . . . . . . . bmse001309 1 69 . 1 1.0570 . . . . . . . . . . . bmse001309 1 70 . 1 1.0488 . . . . . . . . . . . bmse001309 1 71 . 1 1.0295 . . . . . . . . . . . bmse001309 1 72 . 1 1.0045 . . . . . . . . . . . bmse001309 1 73 . 1 0.9945 . . . . . . . . . . . bmse001309 1 74 . 1 0.9736 . . . . . . . . . . . bmse001309 1 75 . 1 0.9593 . . . . . . . . . . . bmse001309 1 76 . 1 0.9517 . . . . . . . . . . . bmse001309 1 77 . 1 0.9199 . . . . . . . . . . . bmse001309 1 78 . 1 0.9059 . . . . . . . . . . . bmse001309 1 79 . 1 0.8831 . . . . . . . . . . . bmse001309 1 80 . 1 0.8366 . . . . . . . . . . . bmse001309 1 81 . 1 0.8237 . . . . . . . . . . . bmse001309 1 82 . 1 0.7785 . . . . . . . . . . . bmse001309 1 83 . 1 0.7461 . . . . . . . . . . . bmse001309 1 84 . 1 0.7356 . . . . . . . . . . . bmse001309 1 85 . 1 0.7116 . . . . . . . . . . . bmse001309 1 86 . 1 0.6882 . . . . . . . . . . . bmse001309 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 bmse001309 _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 . . . . . . bmse001309 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 . . bmse001309 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 . . . bmse001309 2 2 . . . bmse001309 2 3 . . . bmse001309 2 4 . . . bmse001309 2 5 . . . bmse001309 2 6 . . . bmse001309 2 7 . . . bmse001309 2 8 . . . bmse001309 2 9 . . . bmse001309 2 10 . . . bmse001309 2 11 . . . bmse001309 2 12 . . . bmse001309 2 13 . . . bmse001309 2 14 . . . bmse001309 2 15 . . . bmse001309 2 16 . . . bmse001309 2 17 . . . bmse001309 2 18 . . . bmse001309 2 19 . . . bmse001309 2 20 . . . bmse001309 2 21 . . . bmse001309 2 22 . . . bmse001309 2 23 . . . bmse001309 2 24 . . . bmse001309 2 25 . . . bmse001309 2 26 . . . bmse001309 2 27 . . . bmse001309 2 28 . . . bmse001309 2 29 . . . bmse001309 2 30 . . . bmse001309 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 . 0.45 . 'relative height' bmse001309 2 2 . 0.48 . 'relative height' bmse001309 2 3 . 0.44 . 'relative height' bmse001309 2 4 . 0.56 . 'relative height' bmse001309 2 5 . 0.55 . 'relative height' bmse001309 2 6 . 0.52 . 'relative height' bmse001309 2 7 . 0.36 . 'relative height' bmse001309 2 8 . 0.58 . 'relative height' bmse001309 2 9 . 0.41 . 'relative height' bmse001309 2 10 . 0.82 . 'relative height' bmse001309 2 11 . 0.58 . 'relative height' bmse001309 2 12 . 0.90 . 'relative height' bmse001309 2 13 . 0.59 . 'relative height' bmse001309 2 14 . 0.99 . 'relative height' bmse001309 2 15 . 0.96 . 'relative height' bmse001309 2 16 . 0.64 . 'relative height' bmse001309 2 17 . 0.61 . 'relative height' bmse001309 2 18 . 0.96 . 'relative height' bmse001309 2 19 . 0.90 . 'relative height' bmse001309 2 20 . 0.40 . 'relative height' bmse001309 2 21 . 0.38 . 'relative height' bmse001309 2 22 . 0.40 . 'relative height' bmse001309 2 23 . 0.40 . 'relative height' bmse001309 2 24 . 0.91 . 'relative height' bmse001309 2 25 . 0.45 . 'relative height' bmse001309 2 26 . 1.12 . 'relative height' bmse001309 2 27 . 0.98 . 'relative height' bmse001309 2 28 . 0.99 . 'relative height' bmse001309 2 29 . 1.05 . 'relative height' bmse001309 2 30 . 1.02 . 'relative height' bmse001309 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 . 1 178.4040 . . . . . . . . . . . bmse001309 2 2 . 1 137.7031 . . . . . . . . . . . bmse001309 2 3 . 1 124.7973 . . . . . . . . . . . bmse001309 2 4 . 1 75.6839 . . . . . . . . . . . bmse001309 2 5 . 1 67.4457 . . . . . . . . . . . bmse001309 2 6 . 1 65.9252 . . . . . . . . . . . bmse001309 2 7 . 1 63.6758 . . . . . . . . . . . bmse001309 2 8 . 1 52.4776 . . . . . . . . . . . bmse001309 2 9 . 1 49.1818 . . . . . . . . . . . bmse001309 2 10 . 1 48.6289 . . . . . . . . . . . bmse001309 2 11 . 1 47.3260 . . . . . . . . . . . bmse001309 2 12 . 1 46.8710 . . . . . . . . . . . bmse001309 2 13 . 1 46.5485 . . . . . . . . . . . bmse001309 2 14 . 1 43.1519 . . . . . . . . . . . bmse001309 2 15 . 1 42.1660 . . . . . . . . . . . bmse001309 2 16 . 1 38.5436 . . . . . . . . . . . bmse001309 2 17 . 1 38.4935 . . . . . . . . . . . bmse001309 2 18 . 1 38.3243 . . . . . . . . . . . bmse001309 2 19 . 1 36.8559 . . . . . . . . . . . bmse001309 2 20 . 1 36.4088 . . . . . . . . . . . bmse001309 2 21 . 1 30.2668 . . . . . . . . . . . bmse001309 2 22 . 1 27.4872 . . . . . . . . . . . bmse001309 2 23 . 1 23.8788 . . . . . . . . . . . bmse001309 2 24 . 1 23.4201 . . . . . . . . . . . bmse001309 2 25 . 1 23.0137 . . . . . . . . . . . bmse001309 2 26 . 1 21.1400 . . . . . . . . . . . bmse001309 2 27 . 1 18.2986 . . . . . . . . . . . bmse001309 2 28 . 1 18.1498 . . . . . . . . . . . bmse001309 2 29 . 1 17.0704 . . . . . . . . . . . bmse001309 2 30 . 1 15.0461 . . . . . . . . . . . bmse001309 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 . . . . 25 178.4040 1 . 1 1 1 BMET001309 C25 . . . bmse001309 2 2 1 . . . . 18 137.7031 1 . 1 1 1 BMET001309 C18 . . . bmse001309 2 3 1 . . . . 7 124.7973 1 . 1 1 1 BMET001309 C7 . . . bmse001309 2 6 1 . . . . 19 65.9252 1 . 1 1 1 BMET001309 C19 . . . bmse001309 2 7 1 . . . . 15 63.6758 1 . 1 1 1 BMET001309 C15 . . . bmse001309 2 8 1 . . . . 22 52.4776 1 . 1 1 1 BMET001309 C22 . . . bmse001309 2 9 1 . . . . 13 49.1818 1 . 1 1 1 BMET001309 C13 . . . bmse001309 2 11 1 . . . . 21 47.3260 1 . 1 1 1 BMET001309 C21 . . . bmse001309 2 12 1 . . . . 23 46.8710 1 . 1 1 1 BMET001309 C23 . . . bmse001309 2 17 1 . . . . 16 38.4935 1 . 1 1 1 BMET001309 C16 . . . bmse001309 2 18 1 . . . . 17 38.3243 1 . 1 1 1 BMET001309 C17 . . . bmse001309 2 24 1 . . . . 6 23.4201 1 . 1 1 1 BMET001309 C6 . . . bmse001309 2 25 1 . . . . 8 23.0137 1 . 1 1 1 BMET001309 C8 . . . bmse001309 2 26 1 . . . . 1 21.1400 1 . 1 1 1 BMET001309 C1 . . . bmse001309 2 27 1 . . . . 3 18.2986 1 . 1 1 1 BMET001309 C3 . . . bmse001309 2 28 1 . . . . 5 18.1498 1 . 1 1 1 BMET001309 C5 . . . bmse001309 2 29 1 . . . . 2 17.0704 1 . 1 1 1 BMET001309 C2 . . . bmse001309 2 30 1 . . . . 4 15.0461 1 . 1 1 1 BMET001309 C4 . . . bmse001309 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 bmse001309 _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 . . . . . . bmse001309 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 . . bmse001309 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 . . . bmse001309 3 2 . . . bmse001309 3 3 . . . bmse001309 3 4 . . . bmse001309 3 5 . . . bmse001309 3 6 . . . bmse001309 3 7 . . . bmse001309 3 8 . . . bmse001309 3 9 . . . bmse001309 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 . 12.37 . 'relative height' bmse001309 3 2 . 15.00 . 'relative height' bmse001309 3 3 . 13.87 . 'relative height' bmse001309 3 4 . 14.54 . 'relative height' bmse001309 3 5 . 14.18 . 'relative height' bmse001309 3 6 . 13.88 . 'relative height' bmse001309 3 7 . 14.58 . 'relative height' bmse001309 3 8 . 14.26 . 'relative height' bmse001309 3 9 . 14.16 . 'relative height' bmse001309 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 . 1 124.5426 . . . . . . . . . . . bmse001309 3 2 . 1 75.4289 . . . . . . . . . . . bmse001309 3 3 . 1 67.1904 . . . . . . . . . . . bmse001309 3 4 . 1 65.6698 . . . . . . . . . . . bmse001309 3 5 . 1 52.2220 . . . . . . . . . . . bmse001309 3 6 . 1 47.0711 . . . . . . . . . . . bmse001309 3 7 . 1 46.2928 . . . . . . . . . . . bmse001309 3 8 . 1 38.2874 . . . . . . . . . . . bmse001309 3 9 . 1 38.2379 . . . . . . . . . . . bmse001309 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 bmse001309 _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 . . . . . . bmse001309 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 . . bmse001309 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 . . . bmse001309 4 2 . . . bmse001309 4 3 . . . bmse001309 4 4 . . . bmse001309 4 5 . . . bmse001309 4 6 . . . bmse001309 4 7 . . . bmse001309 4 8 . . . bmse001309 4 9 . . . bmse001309 4 10 . . . bmse001309 4 11 . . . bmse001309 4 12 . . . bmse001309 4 13 . . . bmse001309 4 14 . . . bmse001309 4 15 . . . bmse001309 4 16 . . . bmse001309 4 17 . . . bmse001309 4 18 . . . bmse001309 4 19 . . . bmse001309 4 20 . . . bmse001309 4 21 . . . bmse001309 4 22 . . . bmse001309 4 23 . . . bmse001309 4 24 . . . bmse001309 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 . 4.50 . 'relative height' bmse001309 4 2 . 5.68 . 'relative height' bmse001309 4 3 . 5.15 . 'relative height' bmse001309 4 4 . 5.68 . 'relative height' bmse001309 4 5 . -4.03 . 'relative height' bmse001309 4 6 . 5.38 . 'relative height' bmse001309 4 7 . -4.56 . 'relative height' bmse001309 4 8 . 7.27 . 'relative height' bmse001309 4 9 . 5.21 . 'relative height' bmse001309 4 10 . 5.94 . 'relative height' bmse001309 4 11 . -3.73 . 'relative height' bmse001309 4 12 . 5.62 . 'relative height' bmse001309 4 13 . 5.31 . 'relative height' bmse001309 4 14 . -4.89 . 'relative height' bmse001309 4 15 . -3.60 . 'relative height' bmse001309 4 16 . -3.89 . 'relative height' bmse001309 4 17 . -4.29 . 'relative height' bmse001309 4 18 . 13.05 . 'relative height' bmse001309 4 19 . -5.39 . 'relative height' bmse001309 4 20 . 13.52 . 'relative height' bmse001309 4 21 . 13.77 . 'relative height' bmse001309 4 22 . 15.00 . 'relative height' bmse001309 4 23 . 12.05 . 'relative height' bmse001309 4 24 . 14.87 . 'relative height' bmse001309 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 . 1 124.5405 . . . . . . . . . . . bmse001309 4 2 . 1 75.4277 . . . . . . . . . . . bmse001309 4 3 . 1 67.1892 . . . . . . . . . . . bmse001309 4 4 . 1 65.6681 . . . . . . . . . . . bmse001309 4 5 . 1 63.4190 . . . . . . . . . . . bmse001309 4 6 . 1 52.2204 . . . . . . . . . . . bmse001309 4 7 . 1 48.9243 . . . . . . . . . . . bmse001309 4 8 . 1 48.3731 . . . . . . . . . . . bmse001309 4 9 . 1 47.0701 . . . . . . . . . . . bmse001309 4 10 . 1 46.2918 . . . . . . . . . . . bmse001309 4 11 . 1 39.5674 . . . . . . . . . . . bmse001309 4 12 . 1 38.2861 . . . . . . . . . . . bmse001309 4 13 . 1 38.2363 . . . . . . . . . . . bmse001309 4 14 . 1 36.1525 . . . . . . . . . . . bmse001309 4 15 . 1 30.0103 . . . . . . . . . . . bmse001309 4 16 . 1 27.2302 . . . . . . . . . . . bmse001309 4 17 . 1 23.6222 . . . . . . . . . . . bmse001309 4 18 . 1 23.1615 . . . . . . . . . . . bmse001309 4 19 . 1 22.7569 . . . . . . . . . . . bmse001309 4 20 . 1 20.8839 . . . . . . . . . . . bmse001309 4 21 . 1 18.0430 . . . . . . . . . . . bmse001309 4 22 . 1 17.8925 . . . . . . . . . . . bmse001309 4 23 . 1 16.8144 . . . . . . . . . . . bmse001309 4 24 . 1 14.7913 . . . . . . . . . . . bmse001309 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 bmse001309 _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 . . . . . . bmse001309 5 2 . . H 1 'Full H' . . 12.99 ppm . . . . . . bmse001309 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 . . bmse001309 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 . . . bmse001309 5 2 . . . bmse001309 5 3 . . . bmse001309 5 4 . . . bmse001309 5 5 . . . bmse001309 5 6 . . . bmse001309 5 7 . . . bmse001309 5 8 . . . bmse001309 5 9 . . . bmse001309 5 10 . . . bmse001309 5 11 . . . bmse001309 5 12 . . . bmse001309 5 13 . . . bmse001309 5 14 . . . bmse001309 5 15 . . . bmse001309 5 16 . . . bmse001309 5 17 . . . bmse001309 5 18 . . . bmse001309 5 19 . . . bmse001309 5 20 . . . bmse001309 5 21 . . . bmse001309 5 22 . . . bmse001309 5 23 . . . bmse001309 5 24 . . . bmse001309 5 25 . . . bmse001309 5 26 . . . bmse001309 5 27 . . . bmse001309 5 28 . . . bmse001309 5 29 . . . bmse001309 5 30 . . . bmse001309 5 31 . . . bmse001309 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 . 126030.34 . 'relative height' bmse001309 5 2 . 141337.42 . 'relative height' bmse001309 5 3 . 108261.43 . 'relative height' bmse001309 5 4 . 171572.60 . 'relative height' bmse001309 5 5 . 70185.26 . 'relative height' bmse001309 5 6 . 113301.06 . 'relative height' bmse001309 5 7 . 109659.92 . 'relative height' bmse001309 5 8 . 74845.84 . 'relative height' bmse001309 5 9 . 84731.67 . 'relative height' bmse001309 5 10 . 143879.52 . 'relative height' bmse001309 5 11 . 90378.93 . 'relative height' bmse001309 5 12 . 100579.72 . 'relative height' bmse001309 5 13 . 73825.55 . 'relative height' bmse001309 5 14 . 72609.15 . 'relative height' bmse001309 5 15 . 61389.11 . 'relative height' bmse001309 5 16 . 56809.36 . 'relative height' bmse001309 5 17 . 57653.85 . 'relative height' bmse001309 5 18 . 86112.86 . 'relative height' bmse001309 5 19 . 47990.49 . 'relative height' bmse001309 5 20 . 65722.55 . 'relative height' bmse001309 5 21 . 61707.15 . 'relative height' bmse001309 5 22 . 43018.83 . 'relative height' bmse001309 5 23 . 57681.64 . 'relative height' bmse001309 5 24 . 37744.40 . 'relative height' bmse001309 5 25 . 284326.21 . 'relative height' bmse001309 5 26 . 73549.58 . 'relative height' bmse001309 5 27 . 295523.19 . 'relative height' bmse001309 5 28 . 274824.25 . 'relative height' bmse001309 5 29 . 267848.30 . 'relative height' bmse001309 5 30 . 150366.99 . 'relative height' bmse001309 5 31 . 131839.43 . 'relative height' bmse001309 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 . 1 124.7057 . . . . . . . . . . . bmse001309 5 1 . 2 5.1572 . . . . . . . . . . . bmse001309 5 2 . 1 75.3141 . . . . . . . . . . . bmse001309 5 2 . 2 3.1041 . . . . . . . . . . . bmse001309 5 3 . 1 67.1676 . . . . . . . . . . . bmse001309 5 3 . 2 3.4989 . . . . . . . . . . . bmse001309 5 4 . 1 65.6158 . . . . . . . . . . . bmse001309 5 4 . 2 4.2337 . . . . . . . . . . . bmse001309 5 5 . 1 63.3991 . . . . . . . . . . . bmse001309 5 5 . 2 3.1940 . . . . . . . . . . . bmse001309 5 6 . 1 63.3991 . . . . . . . . . . . bmse001309 5 6 . 2 3.3640 . . . . . . . . . . . bmse001309 5 7 . 1 52.1236 . . . . . . . . . . . bmse001309 5 7 . 2 2.1110 . . . . . . . . . . . bmse001309 5 8 . 1 48.9528 . . . . . . . . . . . bmse001309 5 8 . 2 0.7072 . . . . . . . . . . . bmse001309 5 9 . 1 48.9093 . . . . . . . . . . . bmse001309 5 9 . 2 1.7129 . . . . . . . . . . . bmse001309 5 10 . 1 48.3446 . . . . . . . . . . . bmse001309 5 10 . 2 3.1534 . . . . . . . . . . . bmse001309 5 11 . 1 47.0416 . . . . . . . . . . . bmse001309 5 11 . 2 1.5138 . . . . . . . . . . . bmse001309 5 12 . 1 46.3031 . . . . . . . . . . . bmse001309 5 12 . 2 1.1472 . . . . . . . . . . . bmse001309 5 13 . 1 39.5705 . . . . . . . . . . . bmse001309 5 13 . 2 1.3776 . . . . . . . . . . . bmse001309 5 14 . 1 39.6139 . . . . . . . . . . . bmse001309 5 14 . 2 1.5505 . . . . . . . . . . . bmse001309 5 15 . 1 38.2674 . . . . . . . . . . . bmse001309 5 15 . 2 0.9219 . . . . . . . . . . . bmse001309 5 16 . 1 38.0937 . . . . . . . . . . . bmse001309 5 16 . 2 1.3043 . . . . . . . . . . . bmse001309 5 17 . 1 36.2693 . . . . . . . . . . . bmse001309 5 17 . 2 1.5086 . . . . . . . . . . . bmse001309 5 18 . 1 36.3128 . . . . . . . . . . . bmse001309 5 18 . 2 1.5557 . . . . . . . . . . . bmse001309 5 19 . 1 30.0944 . . . . . . . . . . . bmse001309 5 19 . 2 1.2640 . . . . . . . . . . . bmse001309 5 20 . 1 30.0400 . . . . . . . . . . . bmse001309 5 20 . 2 1.4242 . . . . . . . . . . . bmse001309 5 21 . 1 27.3190 . . . . . . . . . . . bmse001309 5 21 . 2 0.9614 . . . . . . . . . . . bmse001309 5 22 . 1 27.3734 . . . . . . . . . . . bmse001309 5 22 . 2 1.8559 . . . . . . . . . . . bmse001309 5 23 . 1 23.4007 . . . . . . . . . . . bmse001309 5 23 . 2 1.5132 . . . . . . . . . . . bmse001309 5 24 . 1 23.5095 . . . . . . . . . . . bmse001309 5 24 . 2 1.8871 . . . . . . . . . . . bmse001309 5 25 . 1 23.0742 . . . . . . . . . . . bmse001309 5 25 . 2 0.9836 . . . . . . . . . . . bmse001309 5 26 . 1 22.9109 . . . . . . . . . . . bmse001309 5 26 . 2 1.9138 . . . . . . . . . . . bmse001309 5 27 . 1 20.8430 . . . . . . . . . . . bmse001309 5 27 . 2 0.9035 . . . . . . . . . . . bmse001309 5 28 . 1 18.1764 . . . . . . . . . . . bmse001309 5 28 . 2 1.2729 . . . . . . . . . . . bmse001309 5 29 . 1 17.9587 . . . . . . . . . . . bmse001309 5 29 . 2 0.9836 . . . . . . . . . . . bmse001309 5 30 . 1 16.9791 . . . . . . . . . . . bmse001309 5 30 . 2 0.8234 . . . . . . . . . . . bmse001309 5 31 . 1 14.7479 . . . . . . . . . . . bmse001309 5 31 . 2 0.9079 . . . . . . . . . . . bmse001309 5 stop_ save_