######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 30623 _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.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 10 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aromatic' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 3 #FORMAT xeasy3D #INAME 1 C #INAME 2 h #INAME 3 H #CYANAFORMAT ChH 1 140.290 8.106 8.107 1 U 2.9e+04 0 e 0 0 0 0 2 140.290 2.854 8.105 1 U 4.91e+03 0 e 0 0 0 0 3 140.290 2.969 8.105 1 U 2.76e+03 0 e 0 0 0 0 4 140.290 2.451 8.105 1 U 2.17e+03 0 e 0 0 0 0 5 124.600 6.834 6.823 1 U 2.48e+04 0 e 0 0 0 0 6 124.600 7.078 6.820 1 U 3.14e+03 0 e 0 0 0 0 7 124.600 4.844 6.828 1 U 4.34e+03 0 e 0 0 0 0 8 124.600 3.301 6.830 1 U 5.52e+03 0 e 0 0 0 0 9 124.600 3.162 6.825 1 U 5.92e+03 0 e 0 0 0 0 10 131.358 6.712 6.713 1 U 2.17e+04 0 e 0 0 0 0 11 131.358 6.990 6.710 1 U 1.34e+04 0 e 0 0 0 0 12 131.358 7.078 6.708 1 U 1.7e+04 0 e 0 0 0 0 13 131.358 7.075 7.072 1 U 8.95e+04 0 e 0 0 0 0 14 131.358 6.712 7.074 1 U 1.41e+04 0 e 0 0 0 0 15 131.358 6.990 7.074 1 U 1.5e+04 0 e 0 0 0 0 16 131.358 4.500 7.079 1 U 2.68e+03 0 e 0 0 0 0 17 131.358 3.364 7.082 1 U 4.41e+03 0 e 0 0 0 0 18 131.358 3.296 7.079 1 U 3.18e+03 0 e 0 0 0 0 19 131.358 3.174 7.079 1 U 3.25e+03 0 e 0 0 0 0 20 131.358 2.864 7.074 1 U 3.04e+03 0 e 0 0 0 0 21 131.358 2.630 7.077 1 U 6.29e+03 0 e 0 0 0 0 22 131.358 2.466 7.074 1 U 3.17e+03 0 e 0 0 0 0 23 131.358 2.459 6.708 1 U 2.27e+03 0 e 0 0 0 0 24 131.358 2.859 6.718 1 U 1.95e+03 0 e 0 0 0 0 25 129.457 6.995 6.984 1 U 2.17e+04 0 e 0 0 0 0 26 129.457 6.717 6.986 1 U 1.24e+04 0 e 0 0 0 0 27 129.457 7.080 6.979 1 U 4.84e+03 0 e 0 0 0 0 28 129.457 2.827 6.984 1 U 2.24e+03 0 e 0 0 0 0 29 129.457 2.466 6.986 1 U 1.99e+03 0 e 0 0 0 0 30 118.480 6.924 6.918 1 U 2.74e+05 0 e 0 0 0 0 31 118.480 7.278 6.920 1 U 4.13e+04 0 e 0 0 0 0 32 118.480 2.940 6.916 1 U 3.07e+03 0 e 0 0 0 0 33 133.171 7.075 7.060 1 U 1.59e+05 0 e 0 0 0 0 34 133.171 6.782 7.060 1 U 4.93e+04 0 e 0 0 0 0 35 133.171 4.500 7.052 1 U 5.19e+03 0 e 0 0 0 0 36 133.171 3.018 7.055 1 U 5.3e+03 0 e 0 0 0 0 37 133.171 2.891 7.057 1 U 5.39e+03 0 e 0 0 0 0 38 133.216 7.288 7.284 1 U 1.25e+05 0 e 0 0 0 0 39 133.216 6.922 7.287 1 U 3.63e+04 0 e 0 0 0 0 40 133.216 4.463 7.284 1 U 4.11e+03 0 e 0 0 0 0 41 133.216 2.942 7.289 1 U 8.55e+03 0 e 0 0 0 0 42 131.358 2.637 6.713 1 U 1.72e+03 0 e 0 0 0 0 43 132.487 7.444 7.445 1 U 3.66e+04 0 e 0 0 0 0 44 132.487 7.346 7.445 1 U 1.2e+04 0 e 0 0 0 0 45 131.537 7.342 7.335 1 U 3.63e+04 0 e 0 0 0 0 46 131.537 7.449 7.343 1 U 9.27e+03 0 e 0 0 0 0 47 132.487 3.362 7.455 1 U 2.16e+03 0 e 0 0 0 0 48 132.487 3.135 7.450 1 U 2.24e+03 0 e 0 0 0 0 49 118.253 7.061 6.776 1 U 6.84e+04 0 e 0 0 0 0 50 118.253 6.773 6.774 1 U 2.48e+05 0 e 0 0 0 0 51 118.253 3.025 6.774 1 U 1.84e+03 0 e 0 0 0 0 52 118.253 2.879 6.776 1 U 2.49e+03 0 e 0 0 0 0 53 118.253 4.053 6.772 1 U 2.07e+03 0 e 0 0 0 0 ; 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 C-aromatic . aliased 5428.882 Hz . . . 125.175 . . 30623 1 2 . . H 1 H . aliased 5997.001 Hz . . . 4.811 . . 30623 1 3 . . H 1 H-aromatic . aliased 5997.001 Hz . . . 4.811 . . 30623 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 30623 _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.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 9 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 3 #FORMAT xeasy3D #INAME 1 N #INAME 2 h #INAME 3 H #CYANAFORMAT NhH 1 121.471 8.260 8.256 1 U 9.69e+05 0 e 0 0 0 0 2 121.471 8.099 8.259 1 U 1.12e+05 0 e 0 0 0 0 3 121.471 4.159 8.259 1 U 7.41e+04 0 e 0 0 0 0 4 121.471 2.700 8.259 1 U 3.61e+04 0 e 0 0 0 0 5 121.471 1.601 8.257 1 U 1.32e+05 0 e 0 0 0 0 6 121.471 1.194 8.257 1 U 4.98e+04 0 e 0 0 0 0 7 120.875 8.070 8.072 1 U 2.4e+06 0 e 0 0 0 0 8 120.875 8.158 8.070 1 U 6.47e+05 0 e 0 0 0 0 9 120.875 7.056 8.073 1 U 3.42e+04 0 e 0 0 0 0 10 120.875 4.513 8.073 1 U 1.5e+05 0 e 0 0 0 0 11 120.875 4.144 8.073 1 U 2.46e+05 0 e 0 0 0 0 12 120.875 2.998 8.075 1 U 1.63e+05 0 e 0 0 0 0 13 120.875 2.867 8.073 1 U 2.14e+05 0 e 0 0 0 0 14 120.875 1.616 8.073 1 U 1.03e+05 0 e 0 0 0 0 15 120.875 1.164 8.072 1 U 4.44e+04 0 e 0 0 0 0 16 122.176 8.155 8.156 1 U 2.59e+06 0 e 0 0 0 0 17 122.176 7.780 8.153 1 U 8.45e+04 0 e 0 0 0 0 18 122.176 4.288 8.155 1 U 2.84e+05 0 e 0 0 0 0 19 122.176 2.685 8.153 1 U 2.23e+05 0 e 0 0 0 0 20 111.565 8.298 8.303 1 U 6.88e+05 0 e 0 0 0 0 21 111.565 8.155 8.303 1 U 2.6e+05 0 e 0 0 0 0 22 111.565 4.380 8.301 1 U 6.37e+04 0 e 0 0 0 0 23 111.565 4.115 8.300 1 U 1.91e+05 0 e 0 0 0 0 24 111.565 0.781 8.302 1 U 2.66e+04 0 e 0 0 0 0 25 111.565 1.135 8.301 1 U 6.47e+04 0 e 0 0 0 0 26 111.565 1.665 8.303 1 U 5.97e+04 0 e 0 0 0 0 27 123.524 8.178 8.165 1 U 1.51e+06 0 e 0 0 0 0 28 123.524 8.357 8.169 1 U 9.78e+04 0 e 0 0 0 0 29 123.524 4.367 8.166 1 U 1.75e+05 0 e 0 0 0 0 30 123.524 4.200 8.169 1 U 8.24e+04 0 e 0 0 0 0 31 123.524 4.531 8.168 1 U 1.03e+05 0 e 0 0 0 0 32 123.524 0.778 8.169 1 U 6.06e+04 0 e 0 0 0 0 33 123.524 1.159 8.166 1 U 4.65e+04 0 e 0 0 0 0 34 123.524 1.472 8.167 1 U 7.68e+04 0 e 0 0 0 0 35 123.524 1.706 8.168 1 U 6.85e+04 0 e 0 0 0 0 36 123.524 1.900 8.167 1 U 1.71e+05 0 e 0 0 0 0 37 124.784 8.366 8.363 1 U 1.17e+06 0 e 0 0 0 0 38 124.784 4.528 8.363 1 U 3.96e+05 0 e 0 0 0 0 39 124.784 4.185 8.362 1 U 9.5e+04 0 e 0 0 0 0 40 124.784 1.929 8.364 1 U 8.69e+04 0 e 0 0 0 0 41 124.784 1.542 8.363 1 U 3.29e+05 0 e 0 0 0 0 42 124.784 0.819 8.362 1 U 7.79e+04 0 e 0 0 0 0 43 128.412 9.013 9.004 1 U 6.38e+05 0 e 0 0 0 0 44 128.412 8.647 9.003 1 U 5.99e+04 0 e 0 0 0 0 45 128.412 8.336 9.005 1 U 2.61e+04 0 e 0 0 0 0 46 128.412 8.102 9.004 1 U 2.9e+04 0 e 0 0 0 0 47 128.412 6.828 9.004 1 U 3.32e+04 0 e 0 0 0 0 48 128.412 4.806 9.003 1 U 2.64e+04 0 e 0 0 0 0 49 128.412 4.194 9.004 1 U 2.72e+05 0 e 0 0 0 0 50 128.412 3.702 9.002 1 U 8.71e+04 0 e 0 0 0 0 51 128.412 3.324 9.003 1 U 1.97e+05 0 e 0 0 0 0 52 128.412 3.154 9.004 1 U 2.05e+05 0 e 0 0 0 0 53 128.412 1.745 9.005 1 U 1.14e+05 0 e 0 0 0 0 54 128.412 1.504 9.004 1 U 4.41e+04 0 e 0 0 0 0 55 128.412 0.822 9.004 1 U 1.26e+05 0 e 0 0 0 0 56 130.418 8.547 8.551 1 U 9.56e+05 0 e 0 0 0 0 57 130.418 8.380 8.552 1 U 1.01e+05 0 e 0 0 0 0 58 130.418 8.038 8.550 1 U 2.56e+04 0 e 0 0 0 0 59 130.418 9.019 8.551 1 U 3.06e+04 0 e 0 0 0 0 60 130.418 3.699 8.550 1 U 3.14e+05 0 e 0 0 0 0 61 130.418 3.330 8.552 1 U 6.35e+04 0 e 0 0 0 0 62 130.418 3.154 8.551 1 U 7.4e+04 0 e 0 0 0 0 63 130.418 4.033 8.551 1 U 1.2e+05 0 e 0 0 0 0 64 130.418 1.783 8.550 1 U 2.27e+05 0 e 0 0 0 0 65 130.418 1.411 8.552 1 U 8.93e+04 0 e 0 0 0 0 66 130.418 1.299 8.552 1 U 5.58e+04 0 e 0 0 0 0 67 118.326 8.342 8.350 1 U 1.46e+06 0 e 0 0 0 0 68 118.326 8.550 8.351 1 U 1.33e+05 0 e 0 0 0 0 69 118.326 8.035 8.352 1 U 1.58e+05 0 e 0 0 0 0 70 118.326 7.428 8.351 1 U 6.56e+04 0 e 0 0 0 0 71 118.326 7.223 8.352 1 U 2.97e+04 0 e 0 0 0 0 72 118.326 4.613 8.348 1 U 1.19e+05 0 e 0 0 0 0 73 118.326 4.044 8.350 1 U 5.21e+04 0 e 0 0 0 0 74 118.326 3.693 8.349 1 U 3.55e+04 0 e 0 0 0 0 75 118.326 3.309 8.352 1 U 2.33e+04 0 e 0 0 0 0 76 118.326 3.154 8.351 1 U 2.4e+04 0 e 0 0 0 0 77 118.326 2.615 8.350 1 U 2.59e+05 0 e 0 0 0 0 78 118.326 2.516 8.350 1 U 1.82e+05 0 e 0 0 0 0 79 118.326 1.777 8.351 1 U 7.21e+04 0 e 0 0 0 0 80 118.326 1.419 8.349 1 U 5.14e+04 0 e 0 0 0 0 81 118.326 1.311 8.350 1 U 4.06e+04 0 e 0 0 0 0 82 118.656 7.651 7.639 1 U 4.51e+05 0 e 0 0 0 0 83 118.656 7.431 7.639 1 U 3.7e+05 0 e 0 0 0 0 84 118.656 7.428 7.441 1 U 4.59e+05 0 e 0 0 0 0 85 118.656 7.642 7.442 1 U 3.9e+05 0 e 0 0 0 0 86 118.656 8.363 7.443 1 U 2.44e+04 0 e 0 0 0 0 87 118.656 4.827 7.642 1 U 2.48e+04 0 e 0 0 0 0 88 118.656 4.847 7.439 1 U 3.77e+04 0 e 0 0 0 0 89 118.656 3.910 7.442 1 U 2.7e+04 0 e 0 0 0 0 90 118.656 3.907 7.643 1 U 2.84e+04 0 e 0 0 0 0 91 118.656 2.618 7.645 1 U 5.15e+04 0 e 0 0 0 0 92 118.656 2.506 7.642 1 U 4.26e+04 0 e 0 0 0 0 93 118.656 2.635 7.441 1 U 9.28e+04 0 e 0 0 0 0 94 118.656 2.506 7.444 1 U 8.15e+04 0 e 0 0 0 0 95 117.166 8.542 8.066 1 U 2.39e+04 0 e 0 0 0 0 96 117.166 8.345 8.063 1 U 1.18e+05 0 e 0 0 0 0 97 117.166 8.049 8.063 1 U 9.16e+05 0 e 0 0 0 0 98 117.166 7.214 8.066 1 U 2.19e+05 0 e 0 0 0 0 99 117.166 7.068 8.062 1 U 5.14e+04 0 e 0 0 0 0 100 117.166 6.672 8.059 1 U 4.95e+04 0 e 0 0 0 0 101 117.166 4.610 8.062 1 U 4.98e+04 0 e 0 0 0 0 102 117.166 4.469 8.063 1 U 8.41e+04 0 e 0 0 0 0 103 117.166 4.071 8.066 1 U 2.45e+04 0 e 0 0 0 0 104 117.166 3.341 8.066 1 U 1.07e+05 0 e 0 0 0 0 105 117.166 3.142 8.068 1 U 3.14e+04 0 e 0 0 0 0 106 117.166 2.609 8.066 1 U 1.72e+05 0 e 0 0 0 0 107 117.166 1.794 8.064 1 U 2.28e+04 0 e 0 0 0 0 108 117.166 1.419 8.062 1 U 4.17e+04 0 e 0 0 0 0 109 123.142 8.363 7.228 1 U 4.59e+04 0 e 0 0 0 0 110 123.142 8.049 7.230 1 U 2.5e+05 0 e 0 0 0 0 111 123.142 7.211 7.228 1 U 1.29e+06 0 e 0 0 0 0 112 123.142 4.472 7.228 1 U 1.01e+05 0 e 0 0 0 0 113 123.142 4.361 7.228 1 U 1.09e+05 0 e 0 0 0 0 114 123.142 4.036 7.227 1 U 5.23e+04 0 e 0 0 0 0 115 123.142 4.118 7.228 1 U 3.37e+04 0 e 0 0 0 0 116 123.142 3.350 7.230 1 U 4.27e+04 0 e 0 0 0 0 117 123.142 2.612 7.230 1 U 4.54e+04 0 e 0 0 0 0 118 123.142 1.431 7.228 1 U 2.76e+05 0 e 0 0 0 0 119 123.142 0.816 7.228 1 U 2.46e+04 0 e 0 0 0 0 120 121.289 8.398 8.409 1 U 9.97e+05 0 e 0 0 0 0 121 121.289 7.179 8.410 1 U 2.57e+04 0 e 0 0 0 0 122 121.289 4.355 8.408 1 U 1.85e+05 0 e 0 0 0 0 123 121.289 4.091 8.408 1 U 1.13e+05 0 e 0 0 0 0 124 121.289 1.789 8.410 1 U 2.28e+05 0 e 0 0 0 0 125 121.289 1.422 8.408 1 U 1.57e+05 0 e 0 0 0 0 126 113.968 8.829 8.840 1 U 1.47e+05 0 e 0 0 0 0 127 113.968 8.380 8.840 1 U 6.74e+04 0 e 0 0 0 0 128 113.968 4.097 8.839 1 U 1.77e+05 0 e 0 0 0 0 129 113.968 3.746 8.840 1 U 7.55e+04 0 e 0 0 0 0 130 113.968 1.765 8.838 1 U 2.93e+04 0 e 0 0 0 0 131 108.717 8.852 8.370 1 U 1.1e+05 0 e 0 0 0 0 132 108.717 8.366 8.370 1 U 1.88e+06 0 e 0 0 0 0 133 108.717 4.132 8.372 1 U 3.73e+05 0 e 0 0 0 0 134 108.717 3.725 8.369 1 U 3.97e+05 0 e 0 0 0 0 135 108.717 1.457 8.369 1 U 3.21e+04 0 e 0 0 0 0 136 110.901 8.451 8.451 1 U 1.47e+06 0 e 0 0 0 0 137 110.901 8.120 8.449 1 U 4.17e+04 0 e 0 0 0 0 138 110.901 4.153 8.453 1 U 3.24e+05 0 e 0 0 0 0 139 110.901 4.308 8.452 1 U 9.18e+04 0 e 0 0 0 0 140 110.901 3.722 8.451 1 U 2.03e+05 0 e 0 0 0 0 141 110.901 1.293 8.453 1 U 1.76e+05 0 e 0 0 0 0 142 109.549 8.492 8.503 1 U 1.5e+06 0 e 0 0 0 0 143 109.549 8.008 8.501 1 U 3.73e+04 0 e 0 0 0 0 144 109.549 7.311 8.505 1 U 1.74e+05 0 e 0 0 0 0 145 109.549 4.607 8.503 1 U 3.29e+04 0 e 0 0 0 0 146 109.549 4.469 8.506 1 U 4.34e+04 0 e 0 0 0 0 147 109.549 4.290 8.504 1 U 4.88e+04 0 e 0 0 0 0 148 109.549 4.159 8.506 1 U 1.12e+05 0 e 0 0 0 0 149 109.549 3.863 8.505 1 U 2.35e+05 0 e 0 0 0 0 150 109.549 3.728 8.505 1 U 5.7e+04 0 e 0 0 0 0 151 109.549 3.089 8.504 1 U 2.5e+05 0 e 0 0 0 0 152 109.549 2.568 8.504 1 U 4.92e+04 0 e 0 0 0 0 153 109.549 1.282 8.505 1 U 3.88e+04 0 e 0 0 0 0 154 117.872 7.314 7.315 1 U 1.56e+06 0 e 0 0 0 0 155 117.872 8.228 7.318 1 U 4.43e+04 0 e 0 0 0 0 156 117.872 8.495 7.318 1 U 1.71e+05 0 e 0 0 0 0 157 117.872 3.860 7.315 1 U 9.68e+04 0 e 0 0 0 0 158 117.872 4.370 7.317 1 U 1.14e+05 0 e 0 0 0 0 159 117.872 4.238 7.317 1 U 4.43e+04 0 e 0 0 0 0 160 117.872 3.078 7.316 1 U 8.8e+04 0 e 0 0 0 0 161 117.872 2.852 7.315 1 U 1.11e+05 0 e 0 0 0 0 162 117.872 2.609 7.316 1 U 1.73e+05 0 e 0 0 0 0 163 117.872 2.509 7.314 1 U 6.36e+04 0 e 0 0 0 0 164 117.872 1.299 7.317 1 U 2.23e+04 0 e 0 0 0 0 165 127.911 8.222 8.216 1 U 1.48e+06 0 e 0 0 0 0 166 127.911 7.666 8.218 1 U 2.77e+04 0 e 0 0 0 0 167 127.911 7.288 8.216 1 U 5.9e+04 0 e 0 0 0 0 168 127.911 7.103 8.216 1 U 3.88e+04 0 e 0 0 0 0 169 127.911 6.898 8.215 1 U 3.92e+04 0 e 0 0 0 0 170 127.911 6.998 8.215 1 U 3.81e+04 0 e 0 0 0 0 171 127.911 4.853 8.213 1 U 7.83e+04 0 e 0 0 0 0 172 127.911 4.384 8.213 1 U 4.47e+05 0 e 0 0 0 0 173 127.911 3.898 8.217 1 U 2.81e+04 0 e 0 0 0 0 174 127.911 2.855 8.215 1 U 2.29e+05 0 e 0 0 0 0 175 127.911 2.618 8.217 1 U 6.83e+04 0 e 0 0 0 0 176 127.911 2.454 8.216 1 U 1.34e+05 0 e 0 0 0 0 177 118.671 8.134 8.151 1 U 1.51e+06 0 e 0 0 0 0 178 118.671 7.636 8.150 1 U 2.56e+05 0 e 0 0 0 0 179 118.671 8.263 8.150 1 U 1.79e+05 0 e 0 0 0 0 180 118.671 7.258 8.151 1 U 6e+04 0 e 0 0 0 0 181 118.671 4.472 8.150 1 U 1.3e+05 0 e 0 0 0 0 182 118.671 4.200 8.152 1 U 5.06e+04 0 e 0 0 0 0 183 118.671 3.951 8.154 1 U 1.04e+05 0 e 0 0 0 0 184 118.671 3.505 8.153 1 U 4.23e+04 0 e 0 0 0 0 185 118.671 2.934 8.151 1 U 3.38e+05 0 e 0 0 0 0 186 118.671 1.302 8.150 1 U 5.64e+04 0 e 0 0 0 0 187 118.671 1.598 8.151 1 U 3.59e+04 0 e 0 0 0 0 188 118.671 1.865 8.149 1 U 2.82e+04 0 e 0 0 0 0 189 118.671 2.193 8.146 1 U 2.28e+04 0 e 0 0 0 0 190 118.671 2.495 8.149 1 U 2.37e+04 0 e 0 0 0 0 191 108.206 7.642 7.642 1 U 1.31e+06 0 e 0 0 0 0 192 108.206 8.137 7.642 1 U 2.71e+05 0 e 0 0 0 0 193 108.206 8.855 7.640 1 U 4.15e+04 0 e 0 0 0 0 194 108.206 4.487 7.644 1 U 5.77e+04 0 e 0 0 0 0 195 108.206 3.998 7.643 1 U 5.42e+05 0 e 0 0 0 0 196 108.206 2.922 7.642 1 U 1.37e+05 0 e 0 0 0 0 197 108.206 2.492 7.644 1 U 3.17e+04 0 e 0 0 0 0 198 125.522 8.852 8.863 1 U 6.57e+05 0 e 0 0 0 0 199 125.522 8.026 8.864 1 U 1.07e+05 0 e 0 0 0 0 200 125.522 7.622 8.862 1 U 3.07e+04 0 e 0 0 0 0 201 125.522 4.208 8.865 1 U 8.87e+04 0 e 0 0 0 0 202 125.522 4.006 8.862 1 U 4.06e+05 0 e 0 0 0 0 203 125.522 1.730 8.864 1 U 2.8e+05 0 e 0 0 0 0 204 125.522 0.927 8.864 1 U 5.56e+04 0 e 0 0 0 0 205 116.000 8.032 8.033 1 U 1.67e+06 0 e 0 0 0 0 206 116.000 8.855 8.035 1 U 1.05e+05 0 e 0 0 0 0 207 116.000 7.378 8.033 1 U 2.19e+05 0 e 0 0 0 0 208 116.000 7.578 8.028 1 U 3.53e+04 0 e 0 0 0 0 209 116.000 4.311 8.032 1 U 1.58e+05 0 e 0 0 0 0 210 116.000 3.995 8.033 1 U 6.95e+04 0 e 0 0 0 0 211 116.000 2.943 8.031 1 U 6.97e+04 0 e 0 0 0 0 212 116.000 2.565 8.032 1 U 2.36e+04 0 e 0 0 0 0 213 116.000 1.698 8.032 1 U 2.41e+05 0 e 0 0 0 0 214 116.000 1.917 8.032 1 U 1.68e+05 0 e 0 0 0 0 215 116.000 2.046 8.033 1 U 1.14e+05 0 e 0 0 0 0 216 124.056 7.390 7.393 1 U 1.44e+06 0 e 0 0 0 0 217 124.056 8.035 7.394 1 U 2.61e+05 0 e 0 0 0 0 218 124.056 8.530 7.394 1 U 2.25e+04 0 e 0 0 0 0 219 124.056 4.323 7.392 1 U 9.16e+04 0 e 0 0 0 0 220 124.056 3.965 7.394 1 U 2.97e+04 0 e 0 0 0 0 221 124.056 3.757 7.393 1 U 1.23e+05 0 e 0 0 0 0 222 124.056 2.955 7.395 1 U 4.33e+05 0 e 0 0 0 0 223 124.056 2.550 7.394 1 U 2.62e+05 0 e 0 0 0 0 224 124.056 1.680 7.394 1 U 5.38e+04 0 e 0 0 0 0 225 124.056 1.935 7.392 1 U 3.62e+04 0 e 0 0 0 0 226 124.056 2.032 7.392 1 U 3.32e+04 0 e 0 0 0 0 227 126.340 8.550 8.542 1 U 1.31e+06 0 e 0 0 0 0 228 126.340 8.966 8.543 1 U 1.62e+05 0 e 0 0 0 0 229 126.340 7.375 8.543 1 U 4.43e+04 0 e 0 0 0 0 230 126.340 7.270 8.544 1 U 3e+04 0 e 0 0 0 0 231 126.340 4.036 8.542 1 U 1.17e+05 0 e 0 0 0 0 232 126.340 3.746 8.542 1 U 3.98e+05 0 e 0 0 0 0 233 126.340 2.952 8.543 1 U 1.07e+05 0 e 0 0 0 0 234 126.340 2.541 8.542 1 U 3.88e+04 0 e 0 0 0 0 235 126.340 1.692 8.542 1 U 2.19e+05 0 e 0 0 0 0 236 126.340 1.595 8.542 1 U 2.36e+05 0 e 0 0 0 0 237 122.078 8.960 8.963 1 U 1.24e+06 0 e 0 0 0 0 238 122.078 8.524 8.962 1 U 1.97e+05 0 e 0 0 0 0 239 122.078 7.504 8.966 1 U 5.4e+04 0 e 0 0 0 0 240 122.078 7.384 8.962 1 U 6.84e+04 0 e 0 0 0 0 241 122.078 4.806 8.966 1 U 8.25e+04 0 e 0 0 0 0 242 122.078 4.036 8.967 1 U 4.99e+04 0 e 0 0 0 0 243 122.078 3.731 8.963 1 U 6.16e+04 0 e 0 0 0 0 244 122.078 3.376 8.962 1 U 8.77e+04 0 e 0 0 0 0 245 122.078 3.122 8.962 1 U 1.7e+05 0 e 0 0 0 0 246 122.078 2.940 8.963 1 U 4.4e+04 0 e 0 0 0 0 247 122.078 2.547 8.962 1 U 4.08e+04 0 e 0 0 0 0 248 122.078 1.689 8.964 1 U 5.6e+04 0 e 0 0 0 0 249 122.078 1.598 8.962 1 U 5.07e+04 0 e 0 0 0 0 250 118.827 8.650 8.664 1 U 7.97e+05 0 e 0 0 0 0 251 118.827 8.981 8.664 1 U 6.32e+04 0 e 0 0 0 0 252 118.827 8.187 8.665 1 U 3.79e+04 0 e 0 0 0 0 253 118.827 7.390 8.667 1 U 2.69e+04 0 e 0 0 0 0 254 118.827 4.812 8.665 1 U 1.79e+05 0 e 0 0 0 0 255 118.827 4.188 8.667 1 U 8.55e+04 0 e 0 0 0 0 256 118.827 3.640 8.665 1 U 8.14e+04 0 e 0 0 0 0 257 118.827 3.365 8.667 1 U 1.51e+05 0 e 0 0 0 0 258 118.827 3.127 8.667 1 U 1.04e+05 0 e 0 0 0 0 259 118.827 1.739 8.666 1 U 1.9e+05 0 e 0 0 0 0 260 118.827 0.778 8.664 1 U 2.49e+05 0 e 0 0 0 0 261 126.053 8.653 8.649 1 U 1.04e+06 0 e 0 0 0 0 262 126.053 4.818 8.651 1 U 7.73e+04 0 e 0 0 0 0 263 126.053 3.625 8.647 1 U 3.83e+05 0 e 0 0 0 0 264 126.053 3.092 8.648 1 U 3.28e+04 0 e 0 0 0 0 265 126.053 2.914 8.649 1 U 1.36e+05 0 e 0 0 0 0 266 126.053 2.427 8.650 1 U 9.48e+04 0 e 0 0 0 0 267 126.053 1.745 8.646 1 U 3.74e+04 0 e 0 0 0 0 268 126.053 0.763 8.648 1 U 1.76e+05 0 e 0 0 0 0 269 110.802 7.789 7.791 1 U 1.14e+06 0 e 0 0 0 0 270 110.802 8.167 7.792 1 U 7.73e+04 0 e 0 0 0 0 271 110.802 8.325 7.791 1 U 4.7e+04 0 e 0 0 0 0 272 110.802 4.299 7.790 1 U 3.5e+05 0 e 0 0 0 0 273 110.802 2.928 7.792 1 U 2.23e+04 0 e 0 0 0 0 274 110.802 2.448 7.789 1 U 3.53e+04 0 e 0 0 0 0 275 110.802 2.213 7.789 1 U 3.66e+04 0 e 0 0 0 0 276 110.802 1.835 7.790 1 U 8.05e+04 0 e 0 0 0 0 277 110.802 1.182 7.792 1 U 7.04e+04 0 e 0 0 0 0 278 121.974 8.152 8.139 1 U 2.19e+06 0 e 0 0 0 0 279 121.974 4.516 8.130 1 U 3.46e+05 0 e 0 0 0 0 280 121.974 4.121 8.131 1 U 1.84e+05 0 e 0 0 0 0 281 121.974 2.987 8.132 1 U 6.84e+04 0 e 0 0 0 0 282 121.974 2.881 8.131 1 U 7.3e+04 0 e 0 0 0 0 283 121.974 1.657 8.129 1 U 1.86e+05 0 e 0 0 0 0 284 121.974 1.367 8.131 1 U 4.21e+04 0 e 0 0 0 0 285 121.974 1.147 8.132 1 U 9.56e+04 0 e 0 0 0 0 286 121.974 1.009 8.131 1 U 5.04e+04 0 e 0 0 0 0 287 121.055 8.149 8.165 1 U 3.92e+06 0 e 0 0 0 0 288 121.055 4.572 8.164 1 U 3.12e+05 0 e 0 0 0 0 289 121.055 4.332 8.164 1 U 1.49e+05 0 e 0 0 0 0 290 121.055 2.673 8.163 1 U 1.16e+05 0 e 0 0 0 0 291 121.055 1.390 8.164 1 U 6.75e+04 0 e 0 0 0 0 292 121.055 1.704 8.166 1 U 1.41e+05 0 e 0 0 0 0 293 121.055 1.809 8.164 1 U 1.05e+05 0 e 0 0 0 0 294 127.210 8.011 8.004 1 U 5.34e+06 0 e 0 0 0 0 295 127.210 4.358 8.006 1 U 2.6e+05 0 e 0 0 0 0 296 127.210 4.088 8.009 1 U 8.65e+04 0 e 0 0 0 0 297 127.210 1.882 8.007 1 U 1.04e+05 0 e 0 0 0 0 298 128.412 1.594 9.004 1 U 4.74e+04 0 e 0 0 0 0 299 110.901 4.632 8.454 1 U 6.21e+04 0 e 0 0 0 0 300 110.901 8.004 8.452 1 U 3.88e+04 0 e 0 0 0 0 301 128.412 8.555 9.003 1 U 3.84e+04 0 e 0 0 0 0 ; 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 . . N 15 N . aliased 1823.071 Hz . . . 60.777 . . 30623 2 2 . . H 1 H . aliased 6597.013 Hz . . . 4.811 . . 30623 2 3 . . H 1 HN . aliased 7196.833 Hz . . . 4.811 . . 30623 2 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_3 _Spectral_peak_list.Entry_ID 30623 _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.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 11 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 3 #FORMAT xeasy3D #INAME 1 C #INAME 2 h #INAME 3 H #CYANAFORMAT ChH 1 56.725 4.163 4.160 1 U 2.46e+05 0 e 0 0 0 0 2 56.725 1.627 4.158 1 U 1.54e+04 0 e 0 0 0 0 3 56.725 1.159 4.153 1 U 9.17e+03 0 e 0 0 0 0 4 56.725 8.079 4.158 1 U 1.63e+04 0 e 0 0 0 0 5 32.707 1.625 1.621 1 U 2.34e+05 0 e 0 0 0 0 6 32.707 1.191 1.621 1 U 1.03e+04 0 e 0 0 0 0 7 32.707 4.168 1.614 1 U 1.06e+04 0 e 0 0 0 0 8 29.093 1.563 1.564 1 U 3.53e+05 0 e 0 0 0 0 9 29.093 1.206 1.564 1 U 7.59e+03 0 e 0 0 0 0 10 42.152 2.916 2.913 1 U 7.83e+05 0 e 0 0 0 0 11 42.152 1.554 2.908 1 U 4.71e+03 0 e 0 0 0 0 12 57.699 4.512 4.509 1 U 7.39e+04 0 e 0 0 0 0 13 57.699 3.014 4.512 1 U 8.49e+03 0 e 0 0 0 0 14 57.699 2.877 4.509 1 U 1.06e+04 0 e 0 0 0 0 15 57.699 7.048 4.512 1 U 1.19e+04 0 e 0 0 0 0 16 57.699 8.117 4.518 1 U 1.44e+04 0 e 0 0 0 0 17 57.699 7.216 4.509 1 U 4.27e+03 0 e 0 0 0 0 18 38.635 3.011 3.018 1 U 6.24e+04 0 e 0 0 0 0 19 38.635 2.877 3.020 1 U 5.28e+04 0 e 0 0 0 0 20 38.635 2.877 2.893 1 U 9.88e+04 0 e 0 0 0 0 21 38.635 3.004 2.891 1 U 5.3e+04 0 e 0 0 0 0 22 38.635 4.506 3.018 1 U 4.56e+03 0 e 0 0 0 0 23 38.635 4.509 2.897 1 U 4.97e+03 0 e 0 0 0 0 24 38.635 7.051 3.020 1 U 7.73e+03 0 e 0 0 0 0 25 38.635 7.051 2.893 1 U 9.18e+03 0 e 0 0 0 0 26 38.635 8.079 3.020 1 U 6.15e+03 0 e 0 0 0 0 27 38.635 8.079 2.884 1 U 6.74e+03 0 e 0 0 0 0 28 56.674 4.125 4.118 1 U 1.9e+05 0 e 0 0 0 0 29 56.674 1.678 4.124 1 U 1.34e+04 0 e 0 0 0 0 30 56.674 1.411 4.127 1 U 5.26e+03 0 e 0 0 0 0 31 56.674 1.027 4.116 1 U 4.7e+03 0 e 0 0 0 0 32 56.674 8.121 4.122 1 U 7.37e+03 0 e 0 0 0 0 33 56.674 8.289 4.120 1 U 9.12e+03 0 e 0 0 0 0 34 32.505 1.627 1.651 1 U 1.01e+05 0 e 0 0 0 0 35 32.505 1.157 1.653 1 U 6.08e+03 0 e 0 0 0 0 36 32.505 4.125 1.653 1 U 6.53e+03 0 e 0 0 0 0 37 29.232 1.411 1.414 1 U 9.73e+04 0 e 0 0 0 0 38 29.232 1.160 1.414 1 U 1.46e+04 0 e 0 0 0 0 39 29.232 1.018 1.414 1 U 6.24e+03 0 e 0 0 0 0 40 29.232 1.671 1.418 1 U 2.41e+04 0 e 0 0 0 0 41 29.232 2.833 1.412 1 U 6.03e+03 0 e 0 0 0 0 42 42.276 2.852 2.849 1 U 2.44e+05 0 e 0 0 0 0 43 42.276 1.411 2.861 1 U 1.1e+04 0 e 0 0 0 0 44 42.276 1.160 2.851 1 U 6.45e+03 0 e 0 0 0 0 45 42.276 4.030 2.849 1 U 4.26e+03 0 e 0 0 0 0 46 61.888 4.382 4.387 1 U 1.15e+05 0 e 0 0 0 0 47 61.888 4.220 4.389 1 U 1.54e+04 0 e 0 0 0 0 48 61.888 1.154 4.389 1 U 2.55e+04 0 e 0 0 0 0 49 61.888 8.168 4.389 1 U 1.22e+04 0 e 0 0 0 0 50 61.888 0.808 4.387 1 U 4.91e+03 0 e 0 0 0 0 51 70.397 4.214 4.226 1 U 1.11e+05 0 e 0 0 0 0 52 70.397 4.382 4.226 1 U 1.43e+04 0 e 0 0 0 0 53 70.397 1.157 4.224 1 U 3.47e+04 0 e 0 0 0 0 54 21.852 1.157 1.160 1 U 6.02e+05 0 e 0 0 0 0 55 21.852 4.214 1.158 1 U 1.23e+04 0 e 0 0 0 0 56 21.852 4.379 1.158 1 U 9.25e+03 0 e 0 0 0 0 57 55.512 4.547 4.548 1 U 3.87e+04 0 e 0 0 0 0 58 55.512 1.928 4.541 1 U 6.12e+03 0 e 0 0 0 0 59 55.512 1.484 4.539 1 U 6.64e+03 0 e 0 0 0 0 60 55.512 1.675 4.541 1 U 4.86e+03 0 e 0 0 0 0 61 55.512 8.375 4.539 1 U 1.79e+04 0 e 0 0 0 0 62 34.513 1.957 1.958 1 U 1.9e+04 0 e 0 0 0 0 63 34.513 1.878 1.877 1 U 1.48e+04 0 e 0 0 0 0 64 34.513 1.957 1.879 1 U 1.76e+04 0 e 0 0 0 0 65 34.513 1.887 1.953 1 U 2.45e+04 0 e 0 0 0 0 66 34.513 1.481 1.962 1 U 5.08e+03 0 e 0 0 0 0 67 34.513 1.490 1.877 1 U 3.97e+03 0 e 0 0 0 0 68 34.513 8.165 1.956 1 U 3.57e+03 0 e 0 0 0 0 69 34.513 8.378 1.867 1 U 3.2e+03 0 e 0 0 0 0 70 29.318 1.690 1.691 1 U 4.56e+05 0 e 0 0 0 0 71 42.228 1.671 2.950 1 U 5.22e+03 0 e 0 0 0 0 72 42.228 2.957 2.954 1 U 9.31e+05 0 e 0 0 0 0 73 24.880 1.516 1.518 1 U 4.08e+04 0 e 0 0 0 0 74 24.880 1.471 1.469 1 U 4.43e+04 0 e 0 0 0 0 75 24.880 1.513 1.469 1 U 4.44e+04 0 e 0 0 0 0 76 24.880 1.478 1.515 1 U 3.48e+04 0 e 0 0 0 0 77 24.880 1.668 1.515 1 U 2.14e+04 0 e 0 0 0 0 78 24.880 1.668 1.471 1 U 2.94e+04 0 e 0 0 0 0 79 55.603 4.207 4.198 1 U 3.91e+04 0 e 0 0 0 0 80 55.603 1.589 4.207 1 U 6.98e+03 0 e 0 0 0 0 81 55.603 1.754 4.205 1 U 2.08e+04 0 e 0 0 0 0 82 55.603 1.503 4.203 1 U 8.23e+03 0 e 0 0 0 0 83 55.603 0.859 4.201 1 U 1.53e+04 0 e 0 0 0 0 84 55.603 0.786 4.203 1 U 7.9e+03 0 e 0 0 0 0 85 55.603 9.006 4.205 1 U 1.47e+04 0 e 0 0 0 0 86 55.603 8.676 4.205 1 U 3.45e+03 0 e 0 0 0 0 87 55.603 8.375 4.207 1 U 4.3e+03 0 e 0 0 0 0 88 42.782 1.589 1.598 1 U 5.9e+04 0 e 0 0 0 0 89 42.782 1.500 1.598 1 U 3.53e+04 0 e 0 0 0 0 90 42.782 1.497 1.503 1 U 3.8e+04 0 e 0 0 0 0 91 42.782 1.589 1.507 1 U 3.69e+04 0 e 0 0 0 0 92 42.782 1.754 1.602 1 U 1.32e+04 0 e 0 0 0 0 93 42.782 1.751 1.509 1 U 1.07e+04 0 e 0 0 0 0 94 42.782 0.827 1.602 1 U 9.95e+03 0 e 0 0 0 0 95 42.782 0.824 1.501 1 U 7.75e+03 0 e 0 0 0 0 96 42.782 8.375 1.606 1 U 4.82e+03 0 e 0 0 0 0 97 42.782 8.371 1.511 1 U 6.67e+03 0 e 0 0 0 0 98 25.115 0.802 0.807 1 U 2.31e+05 0 e 0 0 0 0 99 25.115 1.497 0.805 1 U 5.89e+03 0 e 0 0 0 0 100 25.115 1.459 0.805 1 U 5.22e+03 0 e 0 0 0 0 101 25.115 1.582 0.805 1 U 4.12e+03 0 e 0 0 0 0 102 23.518 0.862 0.864 1 U 6.54e+05 0 e 0 0 0 0 103 23.518 1.589 0.868 1 U 5.42e+03 0 e 0 0 0 0 104 23.518 1.754 0.868 1 U 1.17e+04 0 e 0 0 0 0 105 23.518 3.087 0.862 1 U 4.48e+03 0 e 0 0 0 0 106 23.518 4.201 0.868 1 U 7.04e+03 0 e 0 0 0 0 107 23.518 9.022 0.864 1 U 3.81e+03 0 e 0 0 0 0 108 26.316 1.760 1.752 1 U 4.01e+04 0 e 0 0 0 0 109 26.316 1.598 1.752 1 U 1.39e+04 0 e 0 0 0 0 110 26.316 1.497 1.750 1 U 1.05e+04 0 e 0 0 0 0 111 26.316 0.846 1.750 1 U 5.05e+03 0 e 0 0 0 0 112 31.829 3.319 3.316 1 U 1.18e+04 0 e 0 0 0 0 113 31.829 3.173 3.316 1 U 1.33e+04 0 e 0 0 0 0 114 31.829 3.173 3.172 1 U 1.48e+04 0 e 0 0 0 0 115 31.829 3.312 3.176 1 U 1.26e+04 0 e 0 0 0 0 116 31.829 6.829 3.316 1 U 9.97e+03 0 e 0 0 0 0 117 31.829 6.829 3.172 1 U 9.99e+03 0 e 0 0 0 0 118 31.829 9.003 3.329 1 U 4.2e+03 0 e 0 0 0 0 119 31.829 9.006 3.176 1 U 5.81e+03 0 e 0 0 0 0 120 58.960 4.042 4.040 1 U 1.28e+05 0 e 0 0 0 0 121 58.960 1.808 4.044 1 U 1.48e+04 0 e 0 0 0 0 122 58.960 1.760 4.042 1 U 1.59e+04 0 e 0 0 0 0 123 58.960 1.456 4.044 1 U 1.63e+04 0 e 0 0 0 0 124 58.960 8.549 4.042 1 U 7.47e+03 0 e 0 0 0 0 125 31.816 1.827 1.824 1 U 2.86e+04 0 e 0 0 0 0 126 31.816 1.770 1.772 1 U 3.96e+04 0 e 0 0 0 0 127 31.816 1.770 1.822 1 U 4.07e+04 0 e 0 0 0 0 128 31.816 1.833 1.776 1 U 2.4e+04 0 e 0 0 0 0 129 31.816 1.440 1.824 1 U 4.13e+03 0 e 0 0 0 0 130 31.816 1.433 1.774 1 U 4.1e+03 0 e 0 0 0 0 131 31.816 1.290 1.772 1 U 4.34e+03 0 e 0 0 0 0 132 31.816 1.290 1.816 1 U 4.45e+03 0 e 0 0 0 0 133 31.816 4.039 1.820 1 U 1.08e+04 0 e 0 0 0 0 134 31.816 4.036 1.774 1 U 1e+04 0 e 0 0 0 0 135 31.816 8.549 1.831 1 U 5.34e+03 0 e 0 0 0 0 136 31.816 8.549 1.769 1 U 6.01e+03 0 e 0 0 0 0 137 29.212 1.621 1.619 1 U 2.78e+05 0 e 0 0 0 0 138 29.212 1.287 1.617 1 U 1.25e+04 0 e 0 0 0 0 139 29.212 2.960 1.617 1 U 7.77e+03 0 e 0 0 0 0 140 56.076 4.642 4.636 1 U 2.18e+04 0 e 0 0 0 0 141 56.076 2.630 4.634 1 U 8.1e+03 0 e 0 0 0 0 142 56.076 2.528 4.634 1 U 9.38e+03 0 e 0 0 0 0 143 56.076 1.417 4.634 1 U 5.94e+03 0 e 0 0 0 0 144 56.076 8.467 4.641 1 U 7.71e+03 0 e 0 0 0 0 145 38.304 2.655 2.647 1 U 2.78e+04 0 e 0 0 0 0 146 38.304 2.531 2.645 1 U 2.45e+04 0 e 0 0 0 0 147 38.304 2.528 2.537 1 U 2.54e+04 0 e 0 0 0 0 148 38.304 2.649 2.537 1 U 2.06e+04 0 e 0 0 0 0 149 38.304 2.874 2.662 1 U 4.66e+03 0 e 0 0 0 0 150 38.304 2.877 2.533 1 U 3.63e+03 0 e 0 0 0 0 151 38.304 7.432 2.645 1 U 6.61e+03 0 e 0 0 0 0 152 38.304 7.432 2.542 1 U 4.4e+03 0 e 0 0 0 0 153 38.304 8.333 2.650 1 U 4.83e+03 0 e 0 0 0 0 154 38.304 8.333 2.544 1 U 4.68e+03 0 e 0 0 0 0 155 58.091 4.506 4.503 1 U 8.55e+04 0 e 0 0 0 0 156 58.091 3.357 4.493 1 U 8.22e+03 0 e 0 0 0 0 157 58.091 2.627 4.488 1 U 7.16e+03 0 e 0 0 0 0 158 58.091 7.054 4.503 1 U 1.21e+04 0 e 0 0 0 0 159 58.091 8.092 4.501 1 U 1.21e+04 0 e 0 0 0 0 160 58.091 7.226 4.503 1 U 6.61e+03 0 e 0 0 0 0 161 40.130 3.369 3.375 1 U 3.05e+04 0 e 0 0 0 0 162 40.130 2.627 3.369 1 U 2.14e+04 0 e 0 0 0 0 163 40.130 2.627 2.637 1 U 1.94e+04 0 e 0 0 0 0 164 40.130 3.363 2.635 1 U 1.92e+04 0 e 0 0 0 0 165 40.130 1.840 3.363 1 U 4.11e+03 0 e 0 0 0 0 166 40.130 4.471 2.635 1 U 3.66e+03 0 e 0 0 0 0 167 40.130 7.083 3.373 1 U 7.69e+03 0 e 0 0 0 0 168 40.130 7.086 2.637 1 U 6.45e+03 0 e 0 0 0 0 169 40.130 8.063 3.373 1 U 3.59e+03 0 e 0 0 0 0 170 40.130 8.070 2.643 1 U 4.21e+03 0 e 0 0 0 0 171 51.606 4.382 4.378 1 U 7.72e+04 0 e 0 0 0 0 172 51.606 1.459 4.378 1 U 2.54e+04 0 e 0 0 0 0 173 51.606 0.805 4.376 1 U 6.38e+03 0 e 0 0 0 0 174 51.606 7.222 4.380 1 U 7.59e+03 0 e 0 0 0 0 175 51.606 8.422 4.378 1 U 7.72e+03 0 e 0 0 0 0 176 19.913 1.452 1.454 1 U 1.89e+05 0 e 0 0 0 0 177 19.913 4.039 1.448 1 U 5.06e+03 0 e 0 0 0 0 178 19.913 4.382 1.446 1 U 6.25e+03 0 e 0 0 0 0 179 19.913 7.219 1.452 1 U 5.56e+03 0 e 0 0 0 0 180 58.442 4.115 4.110 1 U 2.39e+05 0 e 0 0 0 0 181 58.442 1.817 4.107 1 U 1.05e+04 0 e 0 0 0 0 182 58.442 1.763 4.103 1 U 9.54e+03 0 e 0 0 0 0 183 58.442 1.589 4.099 1 U 6.59e+03 0 e 0 0 0 0 184 58.442 1.716 4.103 1 U 9.26e+03 0 e 0 0 0 0 185 58.442 8.413 4.112 1 U 5.72e+03 0 e 0 0 0 0 186 29.599 1.763 1.778 1 U 2.95e+04 0 e 0 0 0 0 187 29.599 1.817 1.772 1 U 3.05e+04 0 e 0 0 0 0 188 29.599 1.840 1.827 1 U 874 0 e 0 0 0 0 189 29.599 1.757 1.824 1 U 3.3e+04 0 e 0 0 0 0 190 29.599 1.595 1.827 1 U 1.76e+04 0 e 0 0 0 0 191 29.599 1.589 1.776 1 U 2.07e+04 0 e 0 0 0 0 192 29.599 1.700 1.824 1 U 2.19e+04 0 e 0 0 0 0 193 29.599 1.697 1.780 1 U 2.08e+04 0 e 0 0 0 0 194 43.324 3.217 3.219 1 U 4.43e+05 0 e 0 0 0 0 195 43.324 1.805 3.215 1 U 6.03e+03 0 e 0 0 0 0 196 43.324 1.586 3.212 1 U 8.05e+03 0 e 0 0 0 0 197 43.324 1.757 3.215 1 U 6.25e+03 0 e 0 0 0 0 198 43.324 1.659 3.215 1 U 6.09e+03 0 e 0 0 0 0 199 27.086 1.582 1.600 1 U 1.29e+05 0 e 0 0 0 0 200 27.086 1.713 1.606 1 U 3.94e+04 0 e 0 0 0 0 201 27.086 1.716 1.716 1 U 6.43e+04 0 e 0 0 0 0 202 27.086 1.592 1.706 1 U 4e+04 0 e 0 0 0 0 203 27.086 1.840 1.604 1 U 1.72e+04 0 e 0 0 0 0 204 27.086 1.843 1.714 1 U 1.56e+04 0 e 0 0 0 0 205 27.086 1.773 1.714 1 U 3.45e+04 0 e 0 0 0 0 206 27.086 1.779 1.604 1 U 2.6e+04 0 e 0 0 0 0 207 27.086 3.217 1.712 1 U 5.71e+03 0 e 0 0 0 0 208 27.086 3.220 1.606 1 U 4.99e+03 0 e 0 0 0 0 209 45.262 4.096 4.095 1 U 3.3e+04 0 e 0 0 0 0 210 45.262 3.763 3.769 1 U 3.6e+04 0 e 0 0 0 0 211 45.262 4.096 3.765 1 U 3.28e+04 0 e 0 0 0 0 212 45.262 3.766 4.103 1 U 2.93e+04 0 e 0 0 0 0 213 45.262 8.381 4.156 1 U 5.68e+03 0 e 0 0 0 0 214 45.262 8.378 3.739 1 U 8.87e+03 0 e 0 0 0 0 215 45.262 8.470 3.737 1 U 5.48e+03 0 e 0 0 0 0 216 45.262 8.463 4.158 1 U 4.22e+03 0 e 0 0 0 0 217 44.514 3.734 4.162 1 U 2.26e+04 0 e 0 0 0 0 218 44.514 3.728 3.729 1 U 2.8e+04 0 e 0 0 0 0 219 44.514 4.160 3.731 1 U 2.05e+04 0 e 0 0 0 0 220 44.514 4.156 4.165 1 U 2.07e+04 0 e 0 0 0 0 221 44.514 8.378 4.160 1 U 8.21e+03 0 e 0 0 0 0 222 44.514 8.470 4.158 1 U 4.93e+03 0 e 0 0 0 0 223 44.514 8.378 3.737 1 U 1.15e+04 0 e 0 0 0 0 224 44.514 8.467 3.733 1 U 5.78e+03 0 e 0 0 0 0 225 62.854 4.166 4.169 1 U 1.28e+05 0 e 0 0 0 0 226 62.854 4.302 4.171 1 U 1.85e+04 0 e 0 0 0 0 227 62.854 8.486 4.173 1 U 6.98e+03 0 e 0 0 0 0 228 62.854 1.284 4.175 1 U 1.84e+04 0 e 0 0 0 0 229 70.135 4.299 4.296 1 U 2.25e+05 0 e 0 0 0 0 230 70.135 4.176 4.298 1 U 2.23e+04 0 e 0 0 0 0 231 70.135 8.168 4.296 1 U 4.67e+03 0 e 0 0 0 0 232 70.135 1.294 4.292 1 U 2.68e+04 0 e 0 0 0 0 233 21.879 1.297 1.302 1 U 3.75e+05 0 e 0 0 0 0 234 21.879 1.189 1.304 1 U 4.72e+04 0 e 0 0 0 0 235 21.879 4.172 1.306 1 U 1.13e+04 0 e 0 0 0 0 236 21.879 4.299 1.304 1 U 1.41e+04 0 e 0 0 0 0 237 21.879 8.470 1.306 1 U 6.01e+03 0 e 0 0 0 0 238 45.457 3.868 3.877 1 U 8.9e+04 0 e 0 0 0 0 239 45.457 3.090 3.879 1 U 4.03e+04 0 e 0 0 0 0 240 45.457 7.308 3.887 1 U 4.02e+03 0 e 0 0 0 0 241 45.457 8.511 3.883 1 U 1.35e+04 0 e 0 0 0 0 242 56.788 4.385 4.389 1 U 8e+04 0 e 0 0 0 0 243 56.788 2.874 4.385 1 U 1.42e+04 0 e 0 0 0 0 244 56.788 2.627 4.387 1 U 7.06e+03 0 e 0 0 0 0 245 56.788 7.041 4.393 1 U 5.87e+03 0 e 0 0 0 0 246 56.788 8.206 4.391 1 U 2.15e+04 0 e 0 0 0 0 247 45.457 3.874 3.105 1 U 3.85e+04 0 e 0 0 0 0 248 45.457 3.090 3.100 1 U 3.2e+04 0 e 0 0 0 0 249 45.457 8.501 3.105 1 U 1.14e+04 0 e 0 0 0 0 250 41.149 2.881 2.876 1 U 5.06e+04 0 e 0 0 0 0 251 41.149 2.639 2.878 1 U 3.12e+04 0 e 0 0 0 0 252 41.149 2.636 2.647 1 U 4.72e+04 0 e 0 0 0 0 253 41.149 2.874 2.645 1 U 4.23e+04 0 e 0 0 0 0 254 41.149 4.382 2.876 1 U 5.55e+03 0 e 0 0 0 0 255 41.149 4.382 2.650 1 U 4.56e+03 0 e 0 0 0 0 256 41.149 7.051 2.643 1 U 7.97e+03 0 e 0 0 0 0 257 41.149 7.041 2.870 1 U 3.97e+03 0 e 0 0 0 0 258 41.149 7.308 2.872 1 U 3.82e+03 0 e 0 0 0 0 259 32.536 2.842 2.859 1 U 1.96e+04 0 e 0 0 0 0 260 32.536 2.446 2.857 1 U 2.11e+04 0 e 0 0 0 0 261 32.536 2.446 2.457 1 U 2.09e+04 0 e 0 0 0 0 262 32.536 2.846 2.459 1 U 1.78e+04 0 e 0 0 0 0 263 32.536 8.117 2.859 1 U 5.47e+03 0 e 0 0 0 0 264 32.536 8.209 2.859 1 U 6.86e+03 0 e 0 0 0 0 265 32.536 8.213 2.466 1 U 4.61e+03 0 e 0 0 0 0 266 32.536 7.435 2.451 1 U 4.16e+03 0 e 0 0 0 0 267 32.536 7.134 2.868 1 U 3.41e+03 0 e 0 0 0 0 268 31.825 3.734 3.318 1 U 4.19e+03 0 e 0 0 0 0 269 31.825 7.092 3.310 1 U 3.74e+03 0 e 0 0 0 0 270 63.771 4.207 4.205 1 U 8.98e+04 0 e 0 0 0 0 271 63.771 2.230 4.205 1 U 1.5e+04 0 e 0 0 0 0 272 63.771 1.595 4.201 1 U 1.03e+04 0 e 0 0 0 0 273 63.771 7.257 4.196 1 U 1.07e+04 0 e 0 0 0 0 274 32.094 1.589 1.619 1 U 4.07e+04 0 e 0 0 0 0 275 32.094 2.217 1.611 1 U 2.14e+04 0 e 0 0 0 0 276 32.094 2.220 2.220 1 U 9.31e+04 0 e 0 0 0 0 277 32.094 1.589 2.220 1 U 2.12e+04 0 e 0 0 0 0 278 32.094 1.329 2.220 1 U 4.56e+03 0 e 0 0 0 0 279 32.094 1.329 1.617 1 U 7.95e+03 0 e 0 0 0 0 280 32.094 4.172 1.611 1 U 4.61e+03 0 e 0 0 0 0 281 32.094 4.195 2.214 1 U 8.63e+03 0 e 0 0 0 0 282 32.094 4.302 2.220 1 U 7.28e+03 0 e 0 0 0 0 283 51.661 3.912 3.919 1 U 3.02e+04 0 e 0 0 0 0 284 51.661 3.525 3.921 1 U 3.05e+04 0 e 0 0 0 0 285 51.661 3.522 3.530 1 U 3.84e+04 0 e 0 0 0 0 286 51.661 3.909 3.526 1 U 2.93e+04 0 e 0 0 0 0 287 51.661 1.862 3.921 1 U 7.2e+03 0 e 0 0 0 0 288 51.661 1.325 3.928 1 U 6.54e+03 0 e 0 0 0 0 289 51.661 1.325 3.526 1 U 8.43e+03 0 e 0 0 0 0 290 51.661 1.862 3.532 1 U 8.26e+03 0 e 0 0 0 0 291 51.661 7.435 3.523 1 U 5.64e+03 0 e 0 0 0 0 292 51.661 7.645 3.917 1 U 4.4e+03 0 e 0 0 0 0 293 51.661 8.165 3.925 1 U 3.6e+03 0 e 0 0 0 0 294 26.285 1.855 1.869 1 U 5.8e+04 0 e 0 0 0 0 295 26.285 1.329 1.871 1 U 2.45e+04 0 e 0 0 0 0 296 26.285 1.332 1.329 1 U 2.8e+04 0 e 0 0 0 0 297 26.285 1.865 1.329 1 U 1.89e+04 0 e 0 0 0 0 298 26.285 2.217 1.875 1 U 7.4e+03 0 e 0 0 0 0 299 26.285 2.205 1.325 1 U 3.55e+03 0 e 0 0 0 0 300 26.285 3.522 1.871 1 U 5.55e+03 0 e 0 0 0 0 301 26.285 3.909 1.871 1 U 4.56e+03 0 e 0 0 0 0 302 26.285 3.909 1.321 1 U 3.99e+03 0 e 0 0 0 0 303 59.010 4.483 4.474 1 U 7.77e+04 0 e 0 0 0 0 304 59.010 2.960 4.476 1 U 1.49e+04 0 e 0 0 0 0 305 59.010 2.912 4.474 1 U 1.46e+04 0 e 0 0 0 0 306 59.010 3.265 4.476 1 U 4.31e+03 0 e 0 0 0 0 307 59.010 2.608 4.486 1 U 5.19e+03 0 e 0 0 0 0 308 59.010 8.159 4.480 1 U 5.63e+03 0 e 0 0 0 0 309 59.010 7.305 4.488 1 U 1.09e+04 0 e 0 0 0 0 310 59.010 7.232 4.488 1 U 4.88e+03 0 e 0 0 0 0 311 59.010 7.083 4.493 1 U 4.7e+03 0 e 0 0 0 0 312 38.040 2.925 2.935 1 U 7.68e+04 0 e 0 0 0 0 313 38.040 3.747 2.939 1 U 7.12e+03 0 e 0 0 0 0 314 38.040 2.582 2.933 1 U 4.46e+03 0 e 0 0 0 0 315 38.040 4.474 2.948 1 U 6.84e+03 0 e 0 0 0 0 316 38.040 7.295 2.944 1 U 8.83e+03 0 e 0 0 0 0 317 38.040 8.159 2.942 1 U 9.74e+03 0 e 0 0 0 0 318 47.381 3.998 4.012 1 U 1.41e+05 0 e 0 0 0 0 319 47.381 1.681 4.012 1 U 4.73e+03 0 e 0 0 0 0 320 47.381 7.645 4.012 1 U 3.02e+04 0 e 0 0 0 0 321 47.381 8.044 4.016 1 U 6.14e+03 0 e 0 0 0 0 322 47.381 8.117 4.016 1 U 6.98e+03 0 e 0 0 0 0 323 47.381 8.851 4.014 1 U 2.19e+04 0 e 0 0 0 0 324 56.546 4.220 4.228 1 U 1.69e+05 0 e 0 0 0 0 325 56.546 1.757 4.228 1 U 1.49e+04 0 e 0 0 0 0 326 56.546 1.678 4.228 1 U 1.75e+04 0 e 0 0 0 0 327 56.546 0.932 4.226 1 U 2.07e+04 0 e 0 0 0 0 328 56.546 8.041 4.228 1 U 5.01e+03 0 e 0 0 0 0 329 56.546 7.391 4.224 1 U 3.68e+03 0 e 0 0 0 0 330 56.546 8.987 4.234 1 U 3.95e+03 0 e 0 0 0 0 331 41.919 1.744 1.738 1 U 2.31e+04 0 e 0 0 0 0 332 41.919 1.671 1.664 1 U 2.95e+04 0 e 0 0 0 0 333 41.919 1.735 1.668 1 U 3.49e+04 0 e 0 0 0 0 334 41.919 1.678 1.742 1 U 4.04e+04 0 e 0 0 0 0 335 41.919 0.948 1.740 1 U 1.35e+04 0 e 0 0 0 0 336 41.919 0.945 1.670 1 U 1.33e+04 0 e 0 0 0 0 337 41.919 4.210 1.740 1 U 5.79e+03 0 e 0 0 0 0 338 41.919 4.207 1.681 1 U 8.26e+03 0 e 0 0 0 0 339 41.919 8.854 1.729 1 U 4.05e+03 0 e 0 0 0 0 340 41.919 8.857 1.666 1 U 4.4e+03 0 e 0 0 0 0 341 25.221 0.948 0.963 1 U 4.15e+05 0 e 0 0 0 0 342 25.221 1.154 0.967 1 U 8.42e+03 0 e 0 0 0 0 343 25.221 1.671 0.965 1 U 9.44e+03 0 e 0 0 0 0 344 25.221 1.776 0.963 1 U 5.18e+03 0 e 0 0 0 0 345 23.091 0.938 0.927 1 U 4.63e+05 0 e 0 0 0 0 346 23.091 1.665 0.929 1 U 7.36e+03 0 e 0 0 0 0 347 23.091 1.782 0.927 1 U 9.52e+03 0 e 0 0 0 0 348 23.091 4.207 0.934 1 U 1.16e+04 0 e 0 0 0 0 349 27.212 1.782 1.780 1 U 7e+04 0 e 0 0 0 0 350 27.212 0.954 1.786 1 U 5.52e+03 0 e 0 0 0 0 351 27.212 4.210 1.778 1 U 3.56e+03 0 e 0 0 0 0 352 55.389 4.337 4.330 1 U 1.38e+05 0 e 0 0 0 0 353 55.389 2.065 4.340 1 U 1.17e+04 0 e 0 0 0 0 354 55.389 1.932 4.334 1 U 7.86e+03 0 e 0 0 0 0 355 55.389 1.681 4.338 1 U 1.21e+04 0 e 0 0 0 0 356 55.389 7.394 4.344 1 U 4.75e+03 0 e 0 0 0 0 357 55.389 8.032 4.342 1 U 1.12e+04 0 e 0 0 0 0 358 29.905 2.062 2.074 1 U 3.83e+04 0 e 0 0 0 0 359 29.905 1.935 2.078 1 U 2.67e+04 0 e 0 0 0 0 360 29.905 1.922 1.937 1 U 2.83e+04 0 e 0 0 0 0 361 29.905 2.062 1.934 1 U 2.9e+04 0 e 0 0 0 0 362 29.905 1.709 2.078 1 U 1.07e+04 0 e 0 0 0 0 363 29.905 1.706 1.930 1 U 1.15e+04 0 e 0 0 0 0 364 29.905 4.341 2.070 1 U 6.46e+03 0 e 0 0 0 0 365 29.905 4.341 1.941 1 U 4.44e+03 0 e 0 0 0 0 366 29.905 8.038 2.076 1 U 5.35e+03 0 e 0 0 0 0 367 29.905 8.035 1.934 1 U 4.57e+03 0 e 0 0 0 0 368 43.225 3.261 3.259 1 U 2.36e+05 0 e 0 0 0 0 369 43.225 2.059 3.255 1 U 5.46e+03 0 e 0 0 0 0 370 43.225 1.935 3.255 1 U 6.45e+03 0 e 0 0 0 0 371 43.225 1.713 3.251 1 U 1.07e+04 0 e 0 0 0 0 372 27.548 1.719 1.729 1 U 7.84e+04 0 e 0 0 0 0 373 27.548 1.671 1.672 1 U 1.2e+05 0 e 0 0 0 0 374 27.548 1.719 1.676 1 U 6.59e+04 0 e 0 0 0 0 375 27.548 1.681 1.725 1 U 7.17e+04 0 e 0 0 0 0 376 27.548 2.059 1.729 1 U 8.4e+03 0 e 0 0 0 0 377 27.548 2.055 1.674 1 U 7.57e+03 0 e 0 0 0 0 378 27.548 3.227 1.731 1 U 6.03e+03 0 e 0 0 0 0 379 27.548 3.227 1.672 1 U 3.72e+03 0 e 0 0 0 0 380 27.548 4.337 1.731 1 U 3.41e+03 0 e 0 0 0 0 381 27.548 4.337 1.664 1 U 3.25e+03 0 e 0 0 0 0 382 27.548 8.035 1.733 1 U 3.75e+03 0 e 0 0 0 0 383 27.548 8.029 1.666 1 U 4.26e+03 0 e 0 0 0 0 384 61.627 3.750 3.752 1 U 7.48e+04 0 e 0 0 0 0 385 61.627 2.960 3.756 1 U 1.72e+04 0 e 0 0 0 0 386 61.627 2.582 3.756 1 U 7.7e+03 0 e 0 0 0 0 387 61.627 7.394 3.748 1 U 8.44e+03 0 e 0 0 0 0 388 61.627 8.555 3.754 1 U 4.09e+04 0 e 0 0 0 0 389 61.564 3.731 3.727 1 U 5.61e+04 0 e 0 0 0 0 390 61.564 3.392 3.722 1 U 7.33e+03 0 e 0 0 0 0 391 61.564 3.322 3.722 1 U 5.75e+03 0 e 0 0 0 0 392 61.564 3.147 3.727 1 U 1.06e+04 0 e 0 0 0 0 393 61.564 1.754 3.733 1 U 3.75e+03 0 e 0 0 0 0 394 61.564 1.586 3.739 1 U 3.46e+03 0 e 0 0 0 0 395 61.564 9.003 3.724 1 U 3.36e+03 0 e 0 0 0 0 396 61.564 8.549 3.720 1 U 2.92e+04 0 e 0 0 0 0 397 30.784 2.969 2.978 1 U 3.82e+04 0 e 0 0 0 0 398 30.784 2.570 2.978 1 U 2.39e+04 0 e 0 0 0 0 399 30.784 2.570 2.569 1 U 2.84e+04 0 e 0 0 0 0 400 30.784 2.973 2.569 1 U 2.8e+04 0 e 0 0 0 0 401 30.784 3.738 2.973 1 U 7.15e+03 0 e 0 0 0 0 402 30.784 3.741 2.576 1 U 4.42e+03 0 e 0 0 0 0 403 30.784 7.394 2.982 1 U 1.32e+04 0 e 0 0 0 0 404 30.784 7.397 2.576 1 U 1.2e+04 0 e 0 0 0 0 405 30.784 8.121 2.573 1 U 3.37e+03 0 e 0 0 0 0 406 57.384 4.042 4.042 1 U 1.47e+05 0 e 0 0 0 0 407 57.384 3.747 4.044 1 U 3.92e+03 0 e 0 0 0 0 408 57.384 1.630 4.042 1 U 1.21e+04 0 e 0 0 0 0 409 57.384 1.725 4.038 1 U 7.77e+03 0 e 0 0 0 0 410 57.384 6.791 4.050 1 U 3.71e+03 0 e 0 0 0 0 411 57.384 8.549 4.048 1 U 9.92e+03 0 e 0 0 0 0 412 29.731 1.617 1.619 1 U 3.04e+05 0 e 0 0 0 0 413 29.731 1.548 1.560 1 U 2.91e+05 0 e 0 0 0 0 414 29.731 1.621 1.564 1 U 5.56e+04 0 e 0 0 0 0 415 29.731 1.557 1.617 1 U 7.15e+04 0 e 0 0 0 0 416 29.731 4.033 1.571 1 U 6.37e+03 0 e 0 0 0 0 417 29.731 4.042 1.628 1 U 6.1e+03 0 e 0 0 0 0 418 29.731 8.552 1.554 1 U 3.82e+03 0 e 0 0 0 0 419 29.731 8.552 1.617 1 U 5.08e+03 0 e 0 0 0 0 420 35.986 1.725 1.736 1 U 4.89e+04 0 e 0 0 0 0 421 35.986 1.551 1.738 1 U 1.57e+04 0 e 0 0 0 0 422 35.986 4.036 1.736 1 U 4.1e+03 0 e 0 0 0 0 423 35.986 8.552 1.736 1 U 6e+03 0 e 0 0 0 0 424 39.667 3.141 3.143 1 U 3.71e+04 0 e 0 0 0 0 425 39.667 3.138 3.392 1 U 1.57e+04 0 e 0 0 0 0 426 39.667 3.388 3.140 1 U 1.23e+04 0 e 0 0 0 0 427 39.667 3.379 3.390 1 U 1.94e+04 0 e 0 0 0 0 428 39.667 3.703 3.386 1 U 2.95e+03 0 e 0 0 0 0 429 39.667 3.703 3.145 1 U 4.41e+03 0 e 0 0 0 0 430 39.667 7.441 3.384 1 U 7.21e+03 0 e 0 0 0 0 431 39.667 7.432 3.140 1 U 5.9e+03 0 e 0 0 0 0 432 39.667 7.216 3.145 1 U 3.47e+03 0 e 0 0 0 0 433 39.667 8.984 3.388 1 U 4.36e+03 0 e 0 0 0 0 434 39.667 8.981 3.143 1 U 6.12e+03 0 e 0 0 0 0 435 63.949 3.658 3.648 1 U 4.07e+04 0 e 0 0 0 0 436 63.949 1.757 3.638 1 U 4.69e+03 0 e 0 0 0 0 437 63.949 0.776 3.644 1 U 2.03e+04 0 e 0 0 0 0 438 63.949 8.651 3.646 1 U 2.59e+04 0 e 0 0 0 0 439 33.073 1.754 1.755 1 U 6.29e+04 0 e 0 0 0 0 440 33.073 0.773 1.750 1 U 1.78e+04 0 e 0 0 0 0 441 33.073 4.207 1.759 1 U 9.83e+03 0 e 0 0 0 0 442 33.073 3.649 1.763 1 U 3.4e+03 0 e 0 0 0 0 443 33.073 8.676 1.757 1 U 6.19e+03 0 e 0 0 0 0 444 22.432 0.811 0.796 1 U 1.99e+05 0 e 0 0 0 0 445 22.432 0.760 0.796 1 U 1.98e+05 0 e 0 0 0 0 446 22.432 1.167 0.798 1 U 7.01e+03 0 e 0 0 0 0 447 22.432 1.757 0.802 1 U 1.14e+04 0 e 0 0 0 0 448 22.432 1.694 0.805 1 U 4.18e+03 0 e 0 0 0 0 449 22.432 3.652 0.796 1 U 7.44e+03 0 e 0 0 0 0 450 22.432 8.670 0.796 1 U 6.84e+03 0 e 0 0 0 0 451 21.241 0.760 0.758 1 U 2.07e+05 0 e 0 0 0 0 452 21.241 0.811 0.756 1 U 3.17e+04 0 e 0 0 0 0 453 21.241 1.757 0.760 1 U 9.22e+03 0 e 0 0 0 0 454 21.241 3.652 0.758 1 U 5.62e+03 0 e 0 0 0 0 455 21.241 8.641 0.760 1 U 5.42e+03 0 e 0 0 0 0 456 29.219 2.919 2.920 1 U 4.43e+04 0 e 0 0 0 0 457 29.219 2.411 2.927 1 U 1.58e+04 0 e 0 0 0 0 458 29.219 2.420 2.427 1 U 1.72e+04 0 e 0 0 0 0 459 29.219 2.925 2.430 1 U 1.88e+04 0 e 0 0 0 0 460 29.219 8.641 2.931 1 U 5.79e+03 0 e 0 0 0 0 461 63.593 4.309 4.323 1 U 7.58e+04 0 e 0 0 0 0 462 63.593 4.509 4.321 1 U 3.66e+03 0 e 0 0 0 0 463 63.593 2.233 4.323 1 U 1.56e+04 0 e 0 0 0 0 464 63.593 1.855 4.319 1 U 1.16e+04 0 e 0 0 0 0 465 63.593 7.781 4.321 1 U 1.11e+04 0 e 0 0 0 0 466 32.129 2.227 1.873 1 U 2.38e+04 0 e 0 0 0 0 467 32.129 1.855 1.871 1 U 7.41e+04 0 e 0 0 0 0 468 3.015 1.849 2.224 1 U 1.02e+03 0 e 0 0 0 0 469 32.129 3.093 1.873 1 U 3.62e+03 0 e 0 0 0 0 470 50.167 3.084 3.098 1 U 3.51e+04 0 e 0 0 0 0 471 50.167 3.096 2.474 1 U 2.43e+04 0 e 0 0 0 0 472 50.167 2.484 2.480 1 U 2.38e+04 0 e 0 0 0 0 473 50.167 2.471 3.094 1 U 1.97e+04 0 e 0 0 0 0 474 50.167 1.846 3.100 1 U 1.33e+04 0 e 0 0 0 0 475 50.167 1.833 2.480 1 U 1.04e+04 0 e 0 0 0 0 476 50.167 0.852 3.102 1 U 5.65e+03 0 e 0 0 0 0 477 27.594 1.830 1.831 1 U 1.22e+05 0 e 0 0 0 0 478 27.594 2.211 1.829 1 U 1.05e+04 0 e 0 0 0 0 479 27.594 2.471 1.837 1 U 6.04e+03 0 e 0 0 0 0 480 27.594 3.090 1.837 1 U 7.77e+03 0 e 0 0 0 0 481 61.632 4.293 4.289 1 U 1.81e+05 0 e 0 0 0 0 482 61.632 1.198 4.287 1 U 2.08e+04 0 e 0 0 0 0 483 61.632 7.781 4.294 1 U 5.68e+03 0 e 0 0 0 0 484 61.632 8.165 4.292 1 U 1.33e+04 0 e 0 0 0 0 485 61.632 8.854 4.296 1 U 3.95e+03 0 e 0 0 0 0 486 69.748 4.299 4.306 1 U 2.12e+05 0 e 0 0 0 0 487 69.748 1.195 4.304 1 U 2.79e+04 0 e 0 0 0 0 488 69.748 8.162 4.306 1 U 5.95e+03 0 e 0 0 0 0 489 21.696 1.198 1.196 1 U 8.65e+05 0 e 0 0 0 0 490 21.696 4.299 1.196 1 U 2.21e+04 0 e 0 0 0 0 491 21.696 7.778 1.190 1 U 3.85e+03 0 e 0 0 0 0 492 54.694 4.591 4.590 1 U 6.52e+04 0 e 0 0 0 0 493 54.694 8.162 4.584 1 U 2.42e+04 0 e 0 0 0 0 494 54.694 2.709 4.588 1 U 2.51e+04 0 e 0 0 0 0 495 41.032 2.703 2.696 1 U 3.39e+05 0 e 0 0 0 0 496 41.032 2.877 2.690 1 U 1.19e+04 0 e 0 0 0 0 497 41.032 4.591 2.696 1 U 5.55e+03 0 e 0 0 0 0 498 41.032 8.168 2.703 1 U 1.37e+04 0 e 0 0 0 0 499 55.961 4.350 4.359 1 U 2.52e+05 0 e 0 0 0 0 500 55.961 8.159 4.359 1 U 8.1e+03 0 e 0 0 0 0 501 55.961 8.016 4.359 1 U 1.12e+04 0 e 0 0 0 0 502 55.961 1.897 4.363 1 U 5.62e+03 0 e 0 0 0 0 503 55.961 1.716 4.359 1 U 1.01e+04 0 e 0 0 0 0 504 33.218 1.852 1.869 1 U 5.32e+04 0 e 0 0 0 0 505 33.218 1.713 1.867 1 U 5.89e+04 0 e 0 0 0 0 506 33.218 1.716 1.727 1 U 1.18e+05 0 e 0 0 0 0 507 33.218 1.849 1.727 1 U 5.35e+04 0 e 0 0 0 0 508 33.218 1.414 1.867 1 U 8.25e+03 0 e 0 0 0 0 509 33.218 1.414 1.725 1 U 9.67e+03 0 e 0 0 0 0 510 29.012 1.671 1.668 1 U 5e+05 0 e 0 0 0 0 511 29.012 1.414 1.672 1 U 7.78e+04 0 e 0 0 0 0 512 42.167 2.985 2.990 1 U 6.5e+05 0 e 0 0 0 0 513 42.167 1.614 2.982 1 U 6.71e+03 0 e 0 0 0 0 514 42.167 1.417 2.986 1 U 4.04e+03 0 e 0 0 0 0 515 42.167 3.217 2.986 1 U 4.83e+03 0 e 0 0 0 0 516 24.497 1.411 1.418 1 U 2.85e+05 0 e 0 0 0 0 517 24.497 1.668 1.422 1 U 5.04e+04 0 e 0 0 0 0 518 24.497 1.843 1.427 1 U 7.46e+03 0 e 0 0 0 0 519 58.149 4.090 4.101 1 U 4.07e+05 0 e 0 0 0 0 520 58.149 8.413 4.114 1 U 4.49e+03 0 e 0 0 0 0 521 58.149 1.811 4.107 1 U 7.39e+03 0 e 0 0 0 0 522 58.149 1.719 4.107 1 U 8e+03 0 e 0 0 0 0 523 58.149 1.589 4.101 1 U 6.13e+03 0 e 0 0 0 0 524 31.020 2.027 2.040 1 U 7.63e+04 0 e 0 0 0 0 525 31.020 1.894 2.042 1 U 5.78e+04 0 e 0 0 0 0 526 31.020 1.887 1.892 1 U 1.04e+05 0 e 0 0 0 0 527 31.020 2.024 1.892 1 U 5.26e+04 0 e 0 0 0 0 528 31.020 2.195 2.036 1 U 1.76e+04 0 e 0 0 0 0 529 31.020 2.201 1.896 1 U 1.65e+04 0 e 0 0 0 0 530 36.595 2.198 2.214 1 U 3.1e+05 0 e 0 0 0 0 531 36.595 2.030 2.207 1 U 3.43e+04 0 e 0 0 0 0 532 36.595 1.890 2.205 1 U 6.71e+03 0 e 0 0 0 0 533 23.517 1.488 0.870 1 U 8.46e+03 0 e 0 0 0 0 534 25.115 1.760 0.803 1 U 4.18e+03 0 e 0 0 0 0 535 40.130 0.852 2.644 1 U 4.05e+03 0 e 0 0 0 0 536 33.288 1.709 1.861 1 U 5.7e+04 0 e 0 0 0 0 537 33.288 1.713 1.720 1 U 1.15e+05 0 e 0 0 0 0 538 33.288 1.849 1.728 1 U 5.35e+04 0 e 0 0 0 0 539 33.288 1.852 1.870 1 U 5.32e+04 0 e 0 0 0 0 540 33.288 1.417 1.868 1 U 8.25e+03 0 e 0 0 0 0 541 33.288 1.411 1.720 1 U 9.73e+03 0 e 0 0 0 0 ; 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 C . folded 5300.119 Hz . . . 67.172 . . 30623 3 2 . . H 1 H . folded 6599.571 Hz . . . 4.811 . . 30623 3 3 . . H 1 H . folded 7796.511 Hz . . . 4.811 . . 30623 3 stop_ save_