######################### # 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 31122 _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 2 _Spectral_peak_list.Experiment_name '3D HNH 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 H #INAME 2 N #INAME 3 HN #SPECTRUM N15NOESY H N HN #TOLERANCE 0.0250 0.2000 0.0150 1 5.054 120.438 7.929 1 U 1.240000E+12 0.000000E+00 e 0 0 0 0 2 9.002 120.443 7.932 1 U 3.310000E+11 0.000000E+00 e 0 0 0 0 3 8.338 120.428 7.929 1 U 3.770000E+11 0.000000E+00 e 0 0 0 0 4 4.762 122.416 8.995 1 U 7.550000E+11 0.000000E+00 e 0 0 0 0 5 8.371 118.088 7.804 1 U 2.440000E+12 0.000000E+00 e 0 0 0 0 6 8.390 122.081 8.283 1 U 2.120000E+12 0.000000E+00 e 0 0 0 0 7 8.283 124.691 8.410 1 U 1.860000E+12 0.000000E+00 e 0 0 0 0 8 8.123 124.694 8.410 1 U 1.860000E+12 0.000000E+00 e 0 0 0 0 9 8.409 120.429 8.123 1 U 3.790000E+12 0.000000E+00 e 0 0 0 0 10 8.000 113.735 8.808 1 U 8.710000E+11 0.000000E+00 e 0 0 0 0 11 6.347 113.718 8.809 1 U 4.320000E+11 0.000000E+00 e 0 0 0 0 12 5.549 113.720 8.809 1 U 5.240000E+11 0.000000E+00 e 0 0 0 0 13 8.833 117.477 8.287 1 U 4.650000E+11 0.000000E+00 e 0 0 0 0 14 8.000 117.461 8.286 1 U 3.940000E+11 0.000000E+00 e 0 0 0 0 15 8.620 118.676 8.834 1 U 6.960000E+11 0.000000E+00 e 0 0 0 0 16 6.608 127.367 8.623 1 U 3.520000E+11 0.000000E+00 e 0 0 0 0 17 8.960 126.472 8.334 1 U 4.010000E+11 0.000000E+00 e 0 0 0 0 18 8.624 126.474 8.333 1 U 5.500000E+11 0.000000E+00 e 0 0 0 0 19 8.407 126.758 8.959 1 U 1.280000E+12 0.000000E+00 e 0 0 0 0 20 8.960 113.085 8.407 1 U 1.330000E+12 0.000000E+00 e 0 0 0 0 21 8.409 113.790 6.880 1 U 1.990000E+12 0.000000E+00 e 0 0 0 0 22 8.333 113.788 6.881 1 U 1.120000E+12 0.000000E+00 e 0 0 0 0 23 7.619 113.838 6.888 1 U 1.440000E+13 0.000000E+00 e 0 0 0 0 24 7.286 122.857 8.594 1 U 1.250000E+12 0.000000E+00 e 0 0 0 0 25 8.519 117.561 9.367 1 U 3.950000E+11 0.000000E+00 e 0 0 0 0 26 8.830 120.915 8.099 1 U 3.610000E+11 0.000000E+00 e 0 0 0 0 27 6.590 120.901 8.097 1 U 5.430000E+11 0.000000E+00 e 0 0 0 0 28 8.434 130.074 9.243 1 U 3.940000E+11 0.000000E+00 e 0 0 0 0 29 8.095 130.075 9.243 1 U 3.100000E+11 0.000000E+00 e 0 0 0 0 30 9.242 120.469 8.432 1 U 3.620000E+11 0.000000E+00 e 0 0 0 0 31 8.809 120.462 8.433 1 U 4.720000E+11 0.000000E+00 e 0 0 0 0 32 4.663 125.269 8.344 1 U 6.540000E+11 0.000000E+00 e 0 0 0 0 33 5.046 125.232 8.342 1 U 3.200000E+11 0.000000E+00 e 0 0 0 0 34 3.809 125.276 8.343 1 U 5.630000E+11 0.000000E+00 e 0 0 0 0 35 7.442 125.798 8.705 1 U 5.740000E+11 0.000000E+00 e 0 0 0 0 36 6.682 125.786 8.705 1 U 4.310000E+11 0.000000E+00 e 0 0 0 0 37 8.812 122.244 7.997 1 U 1.740000E+12 0.000000E+00 e 0 0 0 0 38 5.548 122.243 7.998 1 U 6.030000E+11 0.000000E+00 e 0 0 0 0 39 6.883 113.087 8.406 1 U 1.890000E+12 0.000000E+00 e 0 0 0 0 40 5.321 122.781 8.611 1 U 6.010000E+11 0.000000E+00 e 0 0 0 0 41 4.511 122.782 8.609 1 U 9.190000E+11 0.000000E+00 e 0 0 0 0 42 9.366 117.562 9.366 1 U 1.510000E+12 0.000000E+00 e 0 0 0 0 43 5.311 117.565 9.364 1 U 1.040000E+12 0.000000E+00 e 0 0 0 0 44 9.361 117.197 8.517 1 U 4.640000E+11 0.000000E+00 e 0 0 0 0 45 7.998 120.893 8.097 1 U 4.030000E+11 0.000000E+00 e 0 0 0 0 46 5.183 120.461 8.432 1 U 1.580000E+12 0.000000E+00 e 0 0 0 0 47 5.548 120.462 8.432 1 U 6.430000E+11 0.000000E+00 e 0 0 0 0 48 4.115 120.460 8.432 1 U 1.280000E+12 0.000000E+00 e 0 0 0 0 49 8.263 122.247 8.434 1 U 1.300000E+12 0.000000E+00 e 0 0 0 0 50 4.115 122.247 8.434 1 U 5.650000E+12 0.000000E+00 e 0 0 0 0 51 4.565 122.248 8.434 1 U 2.670000E+12 0.000000E+00 e 0 0 0 0 52 8.518 121.418 8.264 1 U 2.960000E+12 0.000000E+00 e 0 0 0 0 53 8.434 121.416 8.263 1 U 2.530000E+12 0.000000E+00 e 0 0 0 0 54 4.561 121.416 8.264 1 U 1.110000E+13 0.000000E+00 e 0 0 0 0 55 4.128 121.758 8.517 1 U 4.140000E+12 0.000000E+00 e 0 0 0 0 56 4.546 121.758 8.517 1 U 7.050000E+12 0.000000E+00 e 0 0 0 0 57 8.431 121.758 8.518 1 U 3.680000E+12 0.000000E+00 e 0 0 0 0 58 8.263 121.756 8.517 1 U 2.830000E+12 0.000000E+00 e 0 0 0 0 59 8.519 118.290 8.431 1 U 3.690000E+12 0.000000E+00 e 0 0 0 0 60 8.022 118.291 8.431 1 U 3.950000E+12 0.000000E+00 e 0 0 0 0 61 7.671 118.292 8.431 1 U 9.040000E+11 0.000000E+00 e 0 0 0 0 62 6.869 118.291 8.431 1 U 5.970000E+11 0.000000E+00 e 0 0 0 0 63 8.242 121.668 8.021 1 U 3.250000E+12 0.000000E+00 e 0 0 0 0 64 8.432 121.665 8.021 1 U 3.560000E+12 0.000000E+00 e 0 0 0 0 65 8.058 119.821 8.239 1 U 2.760000E+12 0.000000E+00 e 0 0 0 0 66 8.033 119.821 8.242 1 U 3.550000E+12 0.000000E+00 e 0 0 0 0 67 8.320 115.704 8.064 1 U 2.540000E+12 0.000000E+00 e 0 0 0 0 68 8.241 115.694 8.062 1 U 2.470000E+12 0.000000E+00 e 0 0 0 0 69 8.061 121.743 8.320 1 U 2.110000E+12 0.000000E+00 e 0 0 0 0 70 7.911 121.752 8.319 1 U 2.610000E+12 0.000000E+00 e 0 0 0 0 71 8.321 119.842 7.909 1 U 2.340000E+12 0.000000E+00 e 0 0 0 0 72 8.046 119.843 7.909 1 U 2.930000E+12 0.000000E+00 e 0 0 0 0 73 7.902 119.255 8.043 1 U 3.730000E+12 0.000000E+00 e 0 0 0 0 74 8.046 108.927 7.898 1 U 2.160000E+12 0.000000E+00 e 0 0 0 0 75 8.173 120.175 7.864 1 U 1.770000E+12 0.000000E+00 e 0 0 0 0 76 7.867 122.294 8.173 1 U 1.100000E+12 0.000000E+00 e 0 0 0 0 77 8.318 122.281 8.173 1 U 1.230000E+12 0.000000E+00 e 0 0 0 0 78 4.239 122.290 8.172 1 U 2.910000E+12 0.000000E+00 e 0 0 0 0 79 4.186 122.265 8.170 1 U 1.290000E+12 0.000000E+00 e 0 0 0 0 80 8.172 120.558 8.314 1 U 1.420000E+12 0.000000E+00 e 0 0 0 0 81 8.073 120.572 8.315 1 U 1.130000E+12 0.000000E+00 e 0 0 0 0 82 8.170 115.734 8.068 1 U 7.880000E+11 0.000000E+00 e 0 0 0 0 83 7.795 120.984 8.169 1 U 6.230000E+11 0.000000E+00 e 0 0 0 0 84 8.171 119.150 7.796 1 U 8.130000E+11 0.000000E+00 e 0 0 0 0 85 5.055 115.777 7.712 1 U 4.080000E+11 0.000000E+00 e 0 0 0 0 86 4.539 115.785 7.713 1 U 1.250000E+12 0.000000E+00 e 0 0 0 0 87 4.565 122.781 7.289 1 U 6.750000E+11 0.000000E+00 e 0 0 0 0 88 9.068 124.668 7.293 1 U 5.000000E+11 0.000000E+00 e 0 0 0 0 89 8.462 118.915 9.056 1 U 7.560000E+11 0.000000E+00 e 0 0 0 0 90 9.058 113.236 8.462 1 U 1.120000E+12 0.000000E+00 e 0 0 0 0 91 7.801 113.240 8.462 1 U 5.440000E+11 0.000000E+00 e 0 0 0 0 92 7.805 112.643 7.367 1 U 1.260000E+12 0.000000E+00 e 0 0 0 0 93 8.462 112.636 7.367 1 U 9.140000E+11 0.000000E+00 e 0 0 0 0 94 7.366 120.821 7.806 1 U 1.550000E+12 0.000000E+00 e 0 0 0 0 95 5.017 128.033 8.891 1 U 1.240000E+12 0.000000E+00 e 0 0 0 0 96 6.748 122.777 8.609 1 U 6.110000E+11 0.000000E+00 e 0 0 0 0 97 6.603 122.778 8.609 1 U 5.470000E+11 0.000000E+00 e 0 0 0 0 98 8.837 122.785 8.608 1 U 4.030000E+11 0.000000E+00 e 0 0 0 0 99 5.242 121.993 9.109 1 U 8.200000E+11 0.000000E+00 e 0 0 0 0 100 4.500 125.605 8.651 1 U 1.890000E+12 0.000000E+00 e 0 0 0 0 101 7.830 108.032 8.483 1 U 9.290000E+11 0.000000E+00 e 0 0 0 0 102 8.484 119.158 7.829 1 U 1.260000E+12 0.000000E+00 e 0 0 0 0 103 8.094 119.165 7.829 1 U 1.450000E+12 0.000000E+00 e 0 0 0 0 104 7.831 122.083 8.094 1 U 1.690000E+12 0.000000E+00 e 0 0 0 0 105 8.418 119.800 7.942 1 U 1.230000E+12 0.000000E+00 e 0 0 0 0 106 8.135 121.050 8.416 1 U 1.290000E+12 0.000000E+00 e 0 0 0 0 107 7.944 121.046 8.416 1 U 1.110000E+12 0.000000E+00 e 0 0 0 0 108 8.080 120.638 8.145 1 U 1.670000E+12 0.000000E+00 e 0 0 0 0 109 4.503 120.679 8.146 1 U 5.040000E+12 0.000000E+00 e 0 0 0 0 110 4.421 120.677 8.146 1 U 2.980000E+12 0.000000E+00 e 0 0 0 0 111 8.270 114.315 8.089 1 U 1.550000E+12 0.000000E+00 e 0 0 0 0 112 8.145 114.311 8.088 1 U 1.990000E+12 0.000000E+00 e 0 0 0 0 113 8.162 122.553 8.269 1 U 1.240000E+12 0.000000E+00 e 0 0 0 0 114 8.090 122.545 8.269 1 U 1.860000E+12 0.000000E+00 e 0 0 0 0 115 8.329 116.058 8.168 1 U 3.430000E+12 0.000000E+00 e 0 0 0 0 116 8.156 122.126 8.331 1 U 4.590000E+12 0.000000E+00 e 0 0 0 0 117 8.328 119.193 8.143 1 U 4.070000E+12 0.000000E+00 e 0 0 0 0 118 8.215 123.171 8.326 1 U 2.230000E+12 0.000000E+00 e 0 0 0 0 119 8.148 123.175 8.326 1 U 1.990000E+12 0.000000E+00 e 0 0 0 0 120 8.328 120.149 8.216 1 U 2.230000E+12 0.000000E+00 e 0 0 0 0 121 8.103 120.151 8.216 1 U 2.500000E+12 0.000000E+00 e 0 0 0 0 122 8.218 117.859 8.103 1 U 2.130000E+12 0.000000E+00 e 0 0 0 0 123 8.106 122.244 8.344 1 U 1.200000E+12 0.000000E+00 e 0 0 0 0 124 8.343 119.531 8.106 1 U 5.520000E+11 0.000000E+00 e 0 0 0 0 125 8.947 125.848 8.611 1 U 4.440000E+11 0.000000E+00 e 0 0 0 0 126 8.236 121.963 8.594 1 U 6.050000E+11 0.000000E+00 e 0 0 0 0 127 8.595 119.276 8.233 1 U 7.350000E+11 0.000000E+00 e 0 0 0 0 128 8.479 119.276 8.233 1 U 6.100000E+11 0.000000E+00 e 0 0 0 0 129 5.938 110.885 8.689 1 U 6.490000E+11 0.000000E+00 e 0 0 0 0 130 8.840 120.336 9.091 1 U 4.240000E+11 0.000000E+00 e 0 0 0 0 131 9.099 126.780 8.833 1 U 3.810000E+11 0.000000E+00 e 0 0 0 0 132 8.695 123.399 8.749 1 U 2.610000E+11 0.000000E+00 e 0 0 0 0 133 8.740 110.869 8.689 1 U 4.340000E+11 0.000000E+00 e 0 0 0 0 134 8.576 118.765 8.926 1 U 4.810000E+11 0.000000E+00 e 0 0 0 0 135 8.611 127.052 8.944 1 U 3.740000E+11 0.000000E+00 e 0 0 0 0 136 8.580 127.821 7.898 1 U 3.500000E+11 0.000000E+00 e 0 0 0 0 137 8.948 127.809 7.896 1 U 3.560000E+11 0.000000E+00 e 0 0 0 0 138 9.036 117.402 7.938 1 U 6.480000E+11 0.000000E+00 e 0 0 0 0 139 8.313 117.403 7.938 1 U 6.270000E+11 0.000000E+00 e 0 0 0 0 140 7.891 117.407 7.934 1 U 1.610000E+12 0.000000E+00 e 0 0 0 0 141 7.944 127.813 7.896 1 U 1.460000E+12 0.000000E+00 e 0 0 0 0 142 8.926 121.808 8.578 1 U 5.830000E+11 0.000000E+00 e 0 0 0 0 143 8.942 121.871 9.554 1 U 5.810000E+11 0.000000E+00 e 0 0 0 0 144 7.980 121.866 9.554 1 U 4.630000E+11 0.000000E+00 e 0 0 0 0 145 8.931 117.831 8.630 1 U 4.520000E+11 0.000000E+00 e 0 0 0 0 146 8.691 123.447 7.962 1 U 7.730000E+11 0.000000E+00 e 0 0 0 0 147 8.643 110.488 8.169 1 U 4.080000E+11 0.000000E+00 e 0 0 0 0 148 8.170 118.783 7.011 1 U 2.050000E+12 0.000000E+00 e 0 0 0 0 149 8.628 124.165 8.914 1 U 4.150000E+11 0.000000E+00 e 0 0 0 0 150 8.924 118.368 8.505 1 U 5.060000E+11 0.000000E+00 e 0 0 0 0 151 9.553 121.955 8.950 1 U 4.520000E+11 0.000000E+00 e 0 0 0 0 152 9.556 125.102 7.983 1 U 6.990000E+11 0.000000E+00 e 0 0 0 0 153 7.637 120.550 8.616 1 U 1.110000E+12 0.000000E+00 e 0 0 0 0 154 8.617 114.257 7.636 1 U 1.470000E+12 0.000000E+00 e 0 0 0 0 155 7.762 122.843 8.192 1 U 6.450000E+11 0.000000E+00 e 0 0 0 0 156 6.950 121.669 7.084 1 U 6.000000E+11 0.000000E+00 e 0 0 0 0 157 9.156 117.908 9.904 1 U 3.180000E+11 0.000000E+00 e 0 0 0 0 158 8.552 125.333 8.899 1 U 4.800000E+11 0.000000E+00 e 0 0 0 0 159 8.900 117.484 8.550 1 U 6.170000E+11 0.000000E+00 e 0 0 0 0 160 8.543 124.907 8.472 1 U 4.230000E+11 0.000000E+00 e 0 0 0 0 161 8.039 113.217 8.665 1 U 8.920000E+11 0.000000E+00 e 0 0 0 0 162 8.667 120.206 8.032 1 U 1.190000E+12 0.000000E+00 e 0 0 0 0 163 8.554 120.210 8.032 1 U 5.680000E+11 0.000000E+00 e 0 0 0 0 164 8.047 122.183 8.553 1 U 8.720000E+11 0.000000E+00 e 0 0 0 0 165 8.047 122.183 8.553 1 U 8.720000E+11 0.000000E+00 e 0 0 0 0 166 7.560 114.491 8.052 1 U 1.240000E+12 0.000000E+00 e 0 0 0 0 167 8.557 114.483 8.052 1 U 8.020000E+11 0.000000E+00 e 0 0 0 0 168 8.050 117.155 7.557 1 U 1.210000E+12 0.000000E+00 e 0 0 0 0 169 8.561 118.687 8.711 1 U 3.410000E+11 0.000000E+00 e 0 0 0 0 170 7.861 118.665 8.712 1 U 3.600000E+11 0.000000E+00 e 0 0 0 0 171 9.912 125.170 9.154 1 U 3.960000E+11 0.000000E+00 e 0 0 0 0 172 7.504 115.892 7.649 1 U 6.910000E+11 0.000000E+00 e 0 0 0 0 173 7.446 115.891 7.649 1 U 3.650000E+11 0.000000E+00 e 0 0 0 0 174 7.651 121.440 7.506 1 U 6.410000E+11 0.000000E+00 e 0 0 0 0 175 9.239 119.703 8.272 1 U 2.670000E+11 0.000000E+00 e 0 0 0 0 176 9.363 120.845 9.236 1 U 3.340000E+11 0.000000E+00 e 0 0 0 0 177 8.809 113.781 9.291 1 U 4.540000E+11 0.000000E+00 e 0 0 0 0 178 9.307 120.626 8.965 1 U 7.120000E+11 0.000000E+00 e 0 0 0 0 179 9.308 129.195 8.831 1 U 4.150000E+11 0.000000E+00 e 0 0 0 0 180 8.902 129.189 8.833 1 U 4.960000E+11 0.000000E+00 e 0 0 0 0 181 8.753 123.910 8.896 1 U 5.820000E+11 0.000000E+00 e 0 0 0 0 182 8.896 119.019 8.748 1 U 4.960000E+11 0.000000E+00 e 0 0 0 0 183 7.747 119.019 8.748 1 U 1.780000E+12 0.000000E+00 e 0 0 0 0 184 8.751 120.061 7.748 1 U 2.440000E+12 0.000000E+00 e 0 0 0 0 185 8.521 120.068 7.747 1 U 4.690000E+11 0.000000E+00 e 0 0 0 0 186 5.209 127.202 9.360 1 U 1.430000E+12 0.000000E+00 e 0 0 0 0 187 9.223 127.193 9.360 1 U 3.370000E+11 0.000000E+00 e 0 0 0 0 188 8.160 123.806 8.464 1 U 7.460000E+11 0.000000E+00 e 0 0 0 0 189 8.747 123.800 8.463 1 U 3.540000E+11 0.000000E+00 e 0 0 0 0 190 8.468 114.286 8.159 1 U 9.330000E+11 0.000000E+00 e 0 0 0 0 191 7.712 114.277 8.160 1 U 1.610000E+12 0.000000E+00 e 0 0 0 0 192 7.398 114.262 8.161 1 U 5.300000E+11 0.000000E+00 e 0 0 0 0 193 7.397 117.964 7.711 1 U 2.050000E+12 0.000000E+00 e 0 0 0 0 194 8.160 117.961 7.711 1 U 1.670000E+12 0.000000E+00 e 0 0 0 0 195 7.713 121.454 7.396 1 U 1.610000E+12 0.000000E+00 e 0 0 0 0 196 8.165 121.454 7.397 1 U 8.040000E+11 0.000000E+00 e 0 0 0 0 197 8.328 108.738 8.165 1 U 9.130000E+11 0.000000E+00 e 0 0 0 0 198 8.167 120.025 8.328 1 U 9.270000E+11 0.000000E+00 e 0 0 0 0 199 7.702 120.041 8.328 1 U 4.400000E+11 0.000000E+00 e 0 0 0 0 200 7.701 117.843 8.316 1 U 1.210000E+12 0.000000E+00 e 0 0 0 0 201 8.317 113.225 7.699 1 U 2.320000E+12 0.000000E+00 e 0 0 0 0 202 8.168 113.220 7.699 1 U 4.920000E+11 0.000000E+00 e 0 0 0 0 203 8.807 113.230 7.700 1 U 5.210000E+11 0.000000E+00 e 0 0 0 0 204 9.294 118.146 8.806 1 U 5.230000E+11 0.000000E+00 e 0 0 0 0 205 7.703 118.135 8.808 1 U 3.510000E+11 0.000000E+00 e 0 0 0 0 206 6.846 118.583 6.659 1 U 4.980000E+11 0.000000E+00 e 0 0 0 0 207 7.713 118.579 6.660 1 U 3.200000E+11 0.000000E+00 e 0 0 0 0 208 8.712 111.971 7.856 1 U 4.120000E+11 0.000000E+00 e 0 0 0 0 209 8.710 123.997 8.560 1 U 5.470000E+11 0.000000E+00 e 0 0 0 0 210 7.986 124.008 8.561 1 U 6.330000E+11 0.000000E+00 e 0 0 0 0 211 8.562 121.732 7.982 1 U 1.250000E+12 0.000000E+00 e 0 0 0 0 212 4.266 126.831 7.947 1 U 1.410000E+13 0.000000E+00 e 0 0 0 0 213 5.184 113.717 8.807 1 U 4.040000E+11 0.000000E+00 e 0 0 0 0 214 8.286 122.248 7.996 1 U 4.390000E+11 0.000000E+00 e 0 0 0 0 215 8.100 122.242 7.997 1 U 5.450000E+11 0.000000E+00 e 0 0 0 0 216 4.831 122.243 7.998 1 U 7.890000E+11 0.000000E+00 e 0 0 0 0 217 4.462 122.251 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1764 6.564 110.887 8.689 1 U 3.640000E+11 0.000000E+00 e 0 0 0 0 1765 3.109 120.346 9.091 1 U 3.240000E+11 0.000000E+00 e 0 0 0 0 1766 0.160 118.769 8.922 1 U 3.460000E+11 0.000000E+00 e 0 0 0 0 1767 1.081 127.832 7.897 1 U 3.650000E+11 0.000000E+00 e 0 0 0 0 1768 0.161 127.815 7.896 1 U 3.360000E+11 0.000000E+00 e 0 0 0 0 1769 8.582 121.843 8.312 1 U 3.860000E+11 0.000000E+00 e 0 0 0 0 1770 5.251 121.825 8.578 1 U 2.840000E+11 0.000000E+00 e 0 0 0 0 1771 4.715 121.791 8.576 1 U 8.730000E+11 0.000000E+00 e 0 0 0 0 1772 4.752 121.803 8.576 1 U 5.180000E+11 0.000000E+00 e 0 0 0 0 1773 3.668 121.797 8.575 1 U 3.020000E+11 0.000000E+00 e 0 0 0 0 1774 3.223 121.761 8.574 1 U 3.450000E+11 0.000000E+00 e 0 0 0 0 1775 2.322 121.870 9.555 1 U 2.550000E+11 0.000000E+00 e 0 0 0 0 1776 2.139 121.870 9.552 1 U 2.200000E+11 0.000000E+00 e 0 0 0 0 1777 1.965 121.864 9.556 1 U 2.860000E+11 0.000000E+00 e 0 0 0 0 1778 3.222 121.862 9.554 1 U 2.770000E+11 0.000000E+00 e 0 0 0 0 1779 5.404 131.079 8.934 1 U 3.520000E+11 0.000000E+00 e 0 0 0 0 1780 4.817 131.087 8.935 1 U 3.500000E+11 0.000000E+00 e 0 0 0 0 1781 4.794 131.087 8.936 1 U 4.050000E+11 0.000000E+00 e 0 0 0 0 1782 3.642 131.100 8.939 1 U 3.990000E+11 0.000000E+00 e 0 0 0 0 1783 1.568 131.099 8.936 1 U 3.870000E+11 0.000000E+00 e 0 0 0 0 1784 1.199 131.100 8.935 1 U 7.100000E+11 0.000000E+00 e 0 0 0 0 1785 0.931 131.094 8.935 1 U 4.200000E+11 0.000000E+00 e 0 0 0 0 1786 0.364 131.092 8.936 1 U 3.280000E+11 0.000000E+00 e 0 0 0 0 1787 1.572 117.852 8.631 1 U 2.800000E+11 0.000000E+00 e 0 0 0 0 1788 2.864 118.902 8.638 1 U 3.710000E+11 0.000000E+00 e 0 0 0 0 1789 8.173 118.913 8.636 1 U 3.080000E+11 0.000000E+00 e 0 0 0 0 1790 0.606 110.492 8.172 1 U 4.770000E+11 0.000000E+00 e 0 0 0 0 1791 8.645 118.783 7.010 1 U 3.620000E+11 0.000000E+00 e 0 0 0 0 1792 8.326 118.776 7.011 1 U 5.860000E+11 0.000000E+00 e 0 0 0 0 1793 1.499 118.764 7.011 1 U 4.540000E+11 0.000000E+00 e 0 0 0 0 1794 5.698 118.770 7.011 1 U 3.280000E+11 0.000000E+00 e 0 0 0 0 1795 4.215 122.911 8.320 1 U 1.280000E+12 0.000000E+00 e 0 0 0 0 1796 1.677 123.013 8.330 1 U 6.290000E+11 0.000000E+00 e 0 0 0 0 1797 1.946 124.158 8.918 1 U 3.330000E+11 0.000000E+00 e 0 0 0 0 1798 4.996 118.355 8.501 1 U 5.330000E+11 0.000000E+00 e 0 0 0 0 1799 0.560 118.364 8.507 1 U 2.940000E+11 0.000000E+00 e 0 0 0 0 1800 0.845 118.284 8.428 1 U 2.960000E+11 0.000000E+00 e 0 0 0 0 1801 0.754 118.281 8.430 1 U 3.050000E+11 0.000000E+00 e 0 0 0 0 1802 6.929 121.955 8.949 1 U 3.990000E+11 0.000000E+00 e 0 0 0 0 1803 2.934 121.962 8.951 1 U 2.720000E+11 0.000000E+00 e 0 0 0 0 1804 2.748 121.956 8.951 1 U 3.190000E+11 0.000000E+00 e 0 0 0 0 1805 8.929 125.104 7.982 1 U 3.070000E+11 0.000000E+00 e 0 0 0 0 1806 8.680 125.108 7.982 1 U 2.790000E+11 0.000000E+00 e 0 0 0 0 1807 3.659 125.096 7.982 1 U 5.170000E+11 0.000000E+00 e 0 0 0 0 1808 2.174 125.101 7.981 1 U 4.170000E+11 0.000000E+00 e 0 0 0 0 1809 2.145 125.093 7.983 1 U 4.150000E+11 0.000000E+00 e 0 0 0 0 1810 8.501 114.253 7.639 1 U 3.790000E+11 0.000000E+00 e 0 0 0 0 1811 1.726 114.244 7.635 1 U 3.960000E+11 0.000000E+00 e 0 0 0 0 1812 0.291 120.001 8.500 1 U 2.470000E+11 0.000000E+00 e 0 0 0 0 1813 8.505 122.852 8.193 1 U 3.120000E+11 0.000000E+00 e 0 0 0 0 1814 1.321 122.854 8.195 1 U 3.270000E+11 0.000000E+00 e 0 0 0 0 1815 1.255 122.839 8.189 1 U 3.540000E+11 0.000000E+00 e 0 0 0 0 1816 7.083 108.722 6.952 1 U 2.850000E+11 0.000000E+00 e 0 0 0 0 1817 6.880 117.923 9.902 1 U 3.090000E+11 0.000000E+00 e 0 0 0 0 1818 6.788 117.918 9.905 1 U 2.730000E+11 0.000000E+00 e 0 0 0 0 1819 7.124 125.328 8.900 1 U 2.710000E+11 0.000000E+00 e 0 0 0 0 1820 4.682 117.169 7.555 1 U 4.190000E+11 0.000000E+00 e 0 0 0 0 1821 1.717 118.677 8.714 1 U 3.100000E+11 0.000000E+00 e 0 0 0 0 1822 0.976 118.689 8.713 1 U 3.160000E+11 0.000000E+00 e 0 0 0 0 1823 8.571 117.682 8.570 1 U 2.530000E+12 0.000000E+00 e 0 0 0 0 1824 4.781 117.686 8.570 1 U 7.490000E+11 0.000000E+00 e 0 0 0 0 1825 3.810 117.678 8.570 1 U 9.880000E+11 0.000000E+00 e 0 0 0 0 1826 2.103 117.664 8.571 1 U 4.890000E+11 0.000000E+00 e 0 0 0 0 1827 1.789 117.678 8.570 1 U 4.930000E+11 0.000000E+00 e 0 0 0 0 1828 4.994 117.289 8.617 1 U 4.300000E+11 0.000000E+00 e 0 0 0 0 1829 6.586 117.205 8.522 1 U 3.160000E+11 0.000000E+00 e 0 0 0 0 1830 2.827 117.190 8.519 1 U 4.690000E+11 0.000000E+00 e 0 0 0 0 1831 2.595 117.193 8.518 1 U 4.930000E+11 0.000000E+00 e 0 0 0 0 1832 1.709 117.193 8.519 1 U 5.580000E+11 0.000000E+00 e 0 0 0 0 1833 1.508 117.192 8.519 1 U 9.520000E+11 0.000000E+00 e 0 0 0 0 1834 0.685 117.205 8.518 1 U 8.150000E+11 0.000000E+00 e 0 0 0 0 1835 0.234 117.196 8.517 1 U 4.760000E+11 0.000000E+00 e 0 0 0 0 1836 7.505 122.470 8.118 1 U 3.750000E+11 0.000000E+00 e 0 0 0 0 1837 1.930 113.936 10.296 1 U 6.350000E+11 0.000000E+00 e 0 0 0 0 1838 4.279 113.935 10.296 1 U 7.160000E+11 0.000000E+00 e 0 0 0 0 1839 4.133 113.935 10.296 1 U 1.190000E+12 0.000000E+00 e 0 0 0 0 1840 3.706 113.931 10.296 1 U 7.690000E+11 0.000000E+00 e 0 0 0 0 1841 8.278 113.941 10.297 1 U 5.640000E+11 0.000000E+00 e 0 0 0 0 1842 4.284 119.709 8.274 1 U 4.420000E+11 0.000000E+00 e 0 0 0 0 1843 4.130 119.691 8.275 1 U 4.590000E+11 0.000000E+00 e 0 0 0 0 1844 3.706 119.696 8.274 1 U 4.900000E+11 0.000000E+00 e 0 0 0 0 1845 3.623 119.693 8.276 1 U 4.810000E+11 0.000000E+00 e 0 0 0 0 1846 2.362 119.700 8.276 1 U 7.320000E+11 0.000000E+00 e 0 0 0 0 1847 0.611 120.838 9.240 1 U 3.430000E+11 0.000000E+00 e 0 0 0 0 1848 0.608 117.997 8.301 1 U 5.500000E+11 0.000000E+00 e 0 0 0 0 1849 0.219 117.997 8.298 1 U 3.460000E+11 0.000000E+00 e 0 0 0 0 1850 2.621 113.779 9.291 1 U 4.020000E+11 0.000000E+00 e 0 0 0 0 1851 0.833 113.785 9.289 1 U 4.270000E+11 0.000000E+00 e 0 0 0 0 1852 0.598 113.768 9.287 1 U 4.110000E+11 0.000000E+00 e 0 0 0 0 1853 2.110 120.638 8.963 1 U 3.630000E+11 0.000000E+00 e 0 0 0 0 1854 0.425 126.309 8.797 1 U 3.970000E+11 0.000000E+00 e 0 0 0 0 1855 7.748 129.205 8.832 1 U 4.430000E+11 0.000000E+00 e 0 0 0 0 1856 5.246 129.192 8.831 1 U 7.180000E+11 0.000000E+00 e 0 0 0 0 1857 4.304 129.185 8.831 1 U 8.210000E+11 0.000000E+00 e 0 0 0 0 1858 3.936 129.188 8.831 1 U 1.920000E+12 0.000000E+00 e 0 0 0 0 1859 2.146 129.182 8.831 1 U 3.560000E+11 0.000000E+00 e 0 0 0 0 1860 1.976 129.186 8.832 1 U 4.330000E+11 0.000000E+00 e 0 0 0 0 1861 1.899 129.194 8.831 1 U 8.330000E+11 0.000000E+00 e 0 0 0 0 1862 1.772 129.195 8.831 1 U 7.650000E+11 0.000000E+00 e 0 0 0 0 1863 1.531 129.192 8.832 1 U 7.880000E+11 0.000000E+00 e 0 0 0 0 1864 1.086 129.191 8.832 1 U 5.440000E+11 0.000000E+00 e 0 0 0 0 1865 0.821 129.199 8.833 1 U 7.240000E+11 0.000000E+00 e 0 0 0 0 1866 0.425 129.182 8.831 1 U 6.550000E+11 0.000000E+00 e 0 0 0 0 1867 4.303 123.915 8.896 1 U 2.690000E+12 0.000000E+00 e 0 0 0 0 1868 3.613 123.916 8.896 1 U 2.830000E+12 0.000000E+00 e 0 0 0 0 1869 2.153 123.909 8.896 1 U 6.390000E+11 0.000000E+00 e 0 0 0 0 1870 1.988 123.921 8.896 1 U 9.070000E+11 0.000000E+00 e 0 0 0 0 1871 1.897 123.919 8.895 1 U 5.890000E+11 0.000000E+00 e 0 0 0 0 1872 1.754 123.919 8.896 1 U 9.730000E+11 0.000000E+00 e 0 0 0 0 1873 1.536 123.926 8.895 1 U 8.820000E+11 0.000000E+00 e 0 0 0 0 1874 1.486 123.942 8.898 1 U 6.970000E+11 0.000000E+00 e 0 0 0 0 1875 8.836 120.054 7.748 1 U 7.060000E+11 0.000000E+00 e 0 0 0 0 1876 0.556 124.192 8.344 1 U 5.310000E+11 0.000000E+00 e 0 0 0 0 1877 0.526 121.508 9.134 1 U 3.090000E+11 0.000000E+00 e 0 0 0 0 1878 0.600 122.245 8.213 1 U 4.070000E+11 0.000000E+00 e 0 0 0 0 1879 0.508 122.233 8.211 1 U 4.480000E+11 0.000000E+00 e 0 0 0 0 1880 6.807 126.657 8.743 1 U 5.570000E+11 0.000000E+00 e 0 0 0 0 1881 1.706 117.953 7.711 1 U 7.640000E+11 0.000000E+00 e 0 0 0 0 1882 2.784 113.228 7.699 1 U 3.650000E+11 0.000000E+00 e 0 0 0 0 1883 2.652 113.216 7.698 1 U 3.000000E+11 0.000000E+00 e 0 0 0 0 1884 5.056 127.497 8.070 1 U 3.160000E+11 0.000000E+00 e 0 0 0 0 1885 2.658 127.500 8.071 1 U 2.200000E+11 0.000000E+00 e 0 0 0 0 1886 2.933 127.519 8.068 1 U 2.340000E+11 0.000000E+00 e 0 0 0 0 1887 1.299 118.589 6.658 1 U 3.190000E+11 0.000000E+00 e 0 0 0 0 1888 1.938 111.963 7.858 1 U 3.010000E+11 0.000000E+00 e 0 0 0 0 1889 6.695 111.711 6.886 1 U 2.190000E+11 0.000000E+00 e 0 0 0 0 1890 0.975 124.003 8.560 1 U 4.590000E+11 0.000000E+00 e 0 0 0 0 1891 4.676 110.437 6.486 1 U 1.920000E+11 0.000000E+00 e 0 0 0 0 1892 4.459 110.422 6.485 1 U 1.880000E+11 0.000000E+00 e 0 0 0 0 1893 7.274 121.730 7.983 1 U 4.270000E+11 0.000000E+00 e 0 0 0 0 1894 7.108 121.739 7.983 1 U 3.570000E+11 0.000000E+00 e 0 0 0 0 1895 2.144 117.490 8.548 1 U 1.530000E+12 0.000000E+00 e 0 0 0 0 1896 1.747 117.490 8.550 1 U 9.930000E+11 0.000000E+00 e 0 0 0 0 1897 2.719 117.471 8.549 1 U 2.430000E+11 0.000000E+00 e 0 0 0 0 1898 2.284 117.491 8.553 1 U 3.010000E+11 0.000000E+00 e 0 0 0 0 1899 6.468 107.268 6.469 1 U 5.750000E+11 0.000000E+00 e 0 0 0 0 1900 6.403 107.256 6.473 1 U 5.910000E+11 0.000000E+00 e 0 0 0 0 1901 0.660 107.300 6.410 1 U 1.990000E+11 0.000000E+00 e 0 0 0 0 1902 0.696 107.389 6.475 1 U 1.180000E+11 0.000000E+00 e 0 0 0 0 1903 0.659 107.258 6.467 1 U 1.470000E+11 0.000000E+00 e 0 0 0 0 1904 6.474 117.479 8.551 1 U 2.280000E+11 0.000000E+00 e 0 0 0 0 1905 6.398 117.486 8.547 1 U 1.690000E+11 0.000000E+00 e 0 0 0 0 1906 2.644 125.182 9.149 1 U 1.760000E+11 0.000000E+00 e 0 0 0 0 1907 2.935 125.180 9.156 1 U 2.320000E+11 0.000000E+00 e 0 0 0 0 1908 1.498 125.186 9.154 1 U 2.340000E+11 0.000000E+00 e 0 0 0 0 1909 3.892 123.583 8.017 1 U 2.990000E+11 0.000000E+00 e 0 0 0 0 1910 4.176 123.586 8.017 1 U 3.980000E+11 0.000000E+00 e 0 0 0 0 1911 6.822 113.287 6.823 1 U 1.110000E+13 0.000000E+00 e 0 0 0 0 1912 7.514 113.285 6.823 1 U 7.160000E+12 0.000000E+00 e 0 0 0 0 1913 2.414 113.254 6.823 1 U 6.100000E+11 0.000000E+00 e 0 0 0 0 1914 2.288 113.263 6.823 1 U 5.670000E+11 0.000000E+00 e 0 0 0 0 1915 0.294 113.278 6.824 1 U 3.940000E+11 0.000000E+00 e 0 0 0 0 1916 2.413 113.254 7.515 1 U 7.370000E+11 0.000000E+00 e 0 0 0 0 1917 2.287 113.255 7.515 1 U 7.300000E+11 0.000000E+00 e 0 0 0 0 1918 0.301 113.261 7.516 1 U 3.190000E+11 0.000000E+00 e 0 0 0 0 1919 6.822 113.272 7.515 1 U 7.200000E+12 0.000000E+00 e 0 0 0 0 1920 7.514 113.279 7.514 1 U 6.740000E+12 0.000000E+00 e 0 0 0 0 1921 7.749 113.127 6.774 1 U 4.030000E+12 0.000000E+00 e 0 0 0 0 1922 6.774 113.129 7.751 1 U 1.670000E+12 0.000000E+00 e 0 0 0 0 1923 2.375 113.126 6.774 1 U 5.480000E+11 0.000000E+00 e 0 0 0 0 1924 4.427 110.903 6.640 1 U 1.300000E+11 0.000000E+00 e 0 0 0 0 1925 4.410 110.841 7.224 1 U 1.450000E+11 0.000000E+00 e 0 0 0 0 1926 4.883 117.574 9.363 1 U 3.440000E+11 0.000000E+00 e 0 0 0 0 1927 5.938 123.267 8.443 1 U 2.740000E+11 0.000000E+00 e 0 0 0 0 1928 4.774 123.258 8.443 1 U 4.040000E+11 0.000000E+00 e 0 0 0 0 1929 4.586 123.259 8.443 1 U 3.340000E+11 0.000000E+00 e 0 0 0 0 1930 2.090 123.262 8.446 1 U 2.970000E+11 0.000000E+00 e 0 0 0 0 1931 2.122 123.247 8.446 1 U 2.620000E+11 0.000000E+00 e 0 0 0 0 1932 4.356 127.023 8.358 1 U 2.940000E+11 0.000000E+00 e 0 0 0 0 1933 4.628 125.839 8.610 1 U 3.480000E+11 0.000000E+00 e 0 0 0 0 1934 4.757 122.587 8.736 1 U 3.230000E+11 0.000000E+00 e 0 0 0 0 1935 4.829 117.471 8.550 1 U 6.790000E+11 0.000000E+00 e 0 0 0 0 1936 4.820 117.039 9.920 1 U 2.720000E+11 0.000000E+00 e 0 0 0 0 1937 4.870 119.700 8.275 1 U 3.410000E+11 0.000000E+00 e 0 0 0 0 1938 0.880 107.055 7.590 1 U 2.830000E+11 0.000000E+00 e 0 0 0 0 1939 -0.461 110.462 8.175 1 U 4.090000E+11 0.000000E+00 e 0 0 0 0 1940 -0.154 110.468 8.167 1 U 3.470000E+11 0.000000E+00 e 0 0 0 0 1941 0.938 118.906 9.054 1 U 3.070000E+11 0.000000E+00 e 0 0 0 0 1942 0.338 119.144 7.793 1 U 4.830000E+11 0.000000E+00 e 0 0 0 0 1943 0.158 119.127 7.790 1 U 4.320000E+11 0.000000E+00 e 0 0 0 0 1944 0.588 119.144 7.793 1 U 3.950000E+11 0.000000E+00 e 0 0 0 0 1945 0.737 119.132 7.791 1 U 4.520000E+11 0.000000E+00 e 0 0 0 0 1946 3.064 126.474 8.337 1 U 3.840000E+11 0.000000E+00 e 0 0 0 0 1947 3.064 126.420 8.304 1 U 1.400000E+11 0.000000E+00 e 0 0 0 0 1948 2.301 126.458 8.332 1 U 3.820000E+11 0.000000E+00 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 . . H 1 HN . 'not observed' 16129.032 Hz . . . 4.693 . . 31122 1 2 . . N 15 N . aliased 2632.761 Hz . . . 118.5 . . 31122 1 3 . . H 1 H . aliased 10991.252 Hz . . . 4.693 . . 31122 1 stop_ save_