# Number of dimensions 3 #INAME 1 1H #INAME 2 13C #INAME 3 15N 1 9.086 61.540 129.332 1 ? 8.423e+04 2.31e+01 a 0 0 0 0 0 2 8.830 57.396 127.767 1 ? 6.827e+04 1.96e+01 a 0 0 0 0 0 3 8.589 55.337 127.419 1 ? 1.275e+05 2.60e+01 a 0 0 0 0 0 4 7.858 54.713 124.961 1 ? 9.174e+05 2.27e+01 a 0 0 0 0 0 5 8.474 54.405 124.069 1 ? 9.301e+04 1.95e+01 a 0 0 0 0 0 6 7.974 58.198 123.995 1 ? 1.321e+05 1.71e+01 a 0 0 0 0 0 7 9.135 60.206 123.638 1 ? 9.880e+04 2.29e+01 a 0 0 0 0 0 8 8.236 56.793 123.628 1 ? 2.015e+05 1.13e+01 a 0 0 0 0 0 9 8.061 59.262 123.321 1 ? 3.925e+05 2.58e+01 a 0 0 0 0 0 10 8.578 53.445 123.231 1 ? 9.613e+04 2.27e+01 a 0 0 0 0 0 11 8.475 56.693 122.710 1 ? 7.475e+04 2.16e+00 a 0 0 0 0 0 12 9.159 48.759 122.571 1 ? 3.368e+04 8.62e+00 a 0 0 0 0 0 13 8.323 59.165 122.436 1 ? 2.700e+05 2.46e+01 a 0 0 0 0 0 14 8.719 55.628 122.278 1 ? 9.308e+04 1.66e+01 a 0 0 0 0 0 15 7.883 57.085 122.025 1 ? 1.174e+05 2.05e+01 a 0 0 0 0 0 16 8.444 55.407 121.931 1 ? 3.761e+05 2.89e+01 a 0 0 0 0 0 17 8.515 56.779 121.739 1 ? 4.268e+05 1.59e+01 a 0 0 0 0 0 18 8.216 61.961 121.569 1 ? 7.696e+04 1.76e+01 a 0 0 0 0 0 19 7.659 55.926 121.519 1 ? 2.315e+05 2.00e+01 a 0 0 0 0 0 20 7.602 57.538 121.376 1 ? 1.154e+05 1.55e+01 a 0 0 0 0 0 21 7.940 60.248 121.292 1 ? 1.148e+05 1.85e+01 a 0 0 0 0 0 22 8.351 63.174 121.209 1 ? 5.145e+04 1.70e+01 a 0 0 0 0 0 23 8.651 59.167 121.158 1 ? 7.387e+04 1.65e+01 a 0 0 0 0 0 24 8.757 55.486 121.143 1 ? 1.265e+05 2.07e+01 a 0 0 0 0 0 25 8.064 55.492 120.797 1 ? 2.880e+05 2.29e+01 a 0 0 0 0 0 26 8.192 62.300 120.703 1 ? 1.156e+05 1.96e+01 a 0 0 0 0 0 27 8.560 63.834 120.519 1 ? 2.236e+05 2.91e+01 a 0 0 0 0 0 28 8.030 60.552 120.334 1 ? 1.414e+05 2.19e+01 a 0 0 0 0 0 29 7.822 61.486 120.036 1 ? 1.411e+05 1.95e+01 a 0 0 0 0 0 30 8.297 55.817 119.923 1 ? 1.264e+05 1.83e+01 a 0 0 0 0 0 31 8.358 45.708 119.867 1 ? 2.423e+05 1.54e+01 a 0 0 0 0 0 32 8.660 59.902 119.740 1 ? 6.867e+04 1.77e+01 a 0 0 0 0 0 33 8.223 54.725 119.649 1 ? 7.535e+04 1.30e+01 a 0 0 0 0 0 34 7.957 60.599 119.224 1 ? 8.602e+04 1.85e+01 a 0 0 0 0 0 35 7.406 59.626 119.158 1 ? 9.553e+04 2.07e+01 a 0 0 0 0 0 36 7.359 60.447 118.938 1 ? 8.457e+04 1.77e+01 a 0 0 0 0 0 37 8.354 45.620 118.878 1 ? 1.691e+05 1.15e+01 a 0 0 0 0 0 38 8.354 59.603 118.878 1 ? 1.276e+05 7.44e+00 a 0 0 0 0 0 39 7.916 63.280 118.673 1 ? 5.997e+04 1.69e+01 a 0 0 0 0 0 40 7.267 46.522 118.390 1 ? 9.012e+04 3.20e+01 a 0 0 0 0 0 41 7.720 57.919 118.404 1 ? 7.973e+04 2.22e+01 a 0 0 0 0 0 42 8.141 66.636 118.185 1 ? 7.652e+04 2.38e+01 a 0 0 0 0 0 43 8.456 54.961 117.935 1 ? 6.180e+04 1.53e+01 a 0 0 0 0 0 44 7.533 57.112 117.981 1 ? 9.350e+04 1.77e+01 a 0 0 0 0 0 45 8.340 63.808 117.954 1 ? 6.661e+04 1.53e+01 a 0 0 0 0 0 46 8.530 65.205 117.844 1 ? 8.799e+04 1.97e+01 a 0 0 0 0 0 47 8.301 56.007 117.572 1 ? 1.084e+05 2.40e+01 a 0 0 0 0 0 48 8.086 45.285 117.271 1 ? 1.245e+05 2.39e+01 a 0 0 0 0 0 49 8.674 58.679 117.014 1 ? 1.526e+05 2.56e+01 a 0 0 0 0 0 50 7.594 57.751 116.997 1 ? 9.807e+04 1.84e+01 a 0 0 0 0 0 51 7.872 59.390 116.773 1 ? 9.649e+04 1.74e+01 a 0 0 0 0 0 52 9.167 61.783 116.650 1 ? 8.315e+04 2.32e+01 a 0 0 0 0 0 53 8.794 52.285 115.941 1 ? 9.681e+04 2.30e+01 a 0 0 0 0 0 54 8.171 55.091 115.955 1 ? 2.562e+05 2.47e+01 a 0 0 0 0 0 55 8.284 60.000 115.831 1 ? 1.493e+05 2.13e+01 a 0 0 0 0 0 56 8.004 56.641 115.634 1 ? 9.184e+04 2.21e+01 a 0 0 0 0 0 57 9.005 54.821 115.006 1 ? 1.174e+05 2.22e+01 a 0 0 0 0 0 58 8.613 54.899 114.986 1 ? 1.095e+05 2.65e+01 a 0 0 0 0 0 59 8.641 45.290 114.648 1 ? 6.024e+04 2.38e+01 a 0 0 0 0 0 60 8.241 45.710 114.445 1 ? 4.295e+04 1.11e+01 a 0 0 0 0 0 61 7.538 56.031 111.708 1 ? 9.787e+04 5.26e+00 a 0 0 0 0 0 62 7.634 51.995 110.819 1 ? 1.197e+05 1.84e+01 a 0 0 0 0 0 63 8.461 56.294 110.302 1 ? 1.492e+05 1.64e+01 a 0 0 0 0 0 64 8.520 56.204 110.205 1 ? 2.977e+05 2.12e+01 a 0 0 0 0 0 65 7.866 55.662 108.536 1 ? 1.749e+05 2.38e+01 a 0 0 0 0 0 66 9.217 61.016 128.690 1 ? 6.684e+04 1.50e+01 a 0 0 0 0 0 67 9.736 60.718 128.610 1 ? 5.578e+04 1.55e+01 a 0 0 0 0 0 68 9.109 61.482 128.043 1 ? 7.872e+04 1.87e+01 a 0 0 0 0 0 69 9.290 56.028 127.212 1 ? 3.537e+04 1.72e+01 a 0 0 0 0 0 70 9.323 60.747 126.472 1 ? 6.487e+04 1.63e+01 a 0 0 0 0 0 71 9.756 58.368 126.214 1 ? 4.305e+04 1.66e+01 a 0 0 0 0 0 72 10.306 42.748 131.062 1 ? 4.193e+03 1.97e+00 a 0 0 0 0 0 73 11.183 41.523 130.482 1 ? 4.763e+03 2.06e+00 a 0 0 0 0 0 74 7.429 57.970 134.880 1 ? 1.135e+04 4.10e+00 a 0 0 0 0 0 75 7.620 59.068 120.295 1 ? 8.162e+04 1.49e+01 a 0 0 0 0 0 76 7.290 55.373 120.123 1 ? 4.884e+04 1.35e+01 a 0 0 0 0 0 77 7.151 50.755 122.346 1 ? 5.484e+04 1.65e+01 a 0 0 0 0 0 78 6.598 56.598 122.173 1 ? 3.397e+04 1.55e+01 a 0 0 0 0 0 79 7.592 57.800 125.279 1 ? 4.510e+04 1.64e+01 a 0 0 0 0 0 80 7.857 58.687 125.534 1 ? 6.272e+04 1.53e+01 a 0 0 0 0 0 81 8.886 52.883 124.340 1 ? 5.343e+04 1.09e+01 a 0 0 0 0 0 82 8.945 51.950 123.927 1 ? 6.428e+04 1.95e+01 a 0 0 0 0 0 83 8.874 66.548 123.043 1 ? 5.115e+04 1.30e+01 a 0 0 0 0 0 84 9.757 53.025 120.750 1 ? 7.210e+04 2.10e+01 a 0 0 0 0 0 85 9.292 62.593 120.621 1 ? 8.808e+04 2.11e+01 a 0 0 0 0 0 86 9.358 53.594 120.239 1 ? 9.776e+04 2.86e+01 a 0 0 0 0 0 87 9.436 62.115 119.149 1 ? 6.802e+04 1.88e+01 a 0 0 0 0 0 88 9.431 56.656 118.363 1 ? 5.297e+04 1.69e+01 a 0 0 0 0 0 89 9.323 51.575 117.274 1 ? 9.558e+04 1.77e+01 a 0 0 0 0 0 90 8.311 59.328 112.568 1 ? 3.182e+04 1.69e+01 a 0 0 0 0 0 91 8.568 61.776 112.149 1 ? 2.661e+04 4.62e+00 a 0 0 0 0 0 92 8.770 56.114 111.744 1 ? 6.662e+04 1.65e+01 a 0 0 0 0 0 93 8.342 53.726 111.246 1 ? 8.887e+04 1.55e+01 a 0 0 0 0 0 94 8.591 57.994 109.052 1 ? 5.299e+04 1.83e+01 a 0 0 0 0 0 95 8.320 59.044 108.222 1 ? 8.315e+04 2.16e+01 a 0 0 0 0 0 96 6.578 55.813 107.635 1 ? 3.700e+04 1.17e+01 a 0 0 0 0 0 97 7.733 59.044 115.143 1 ? 8.825e+04 1.54e+01 a 0 0 0 0 0 98 7.339 65.594 116.387 1 ? 5.034e+04 1.40e+01 a 0 0 0 0 0 99 7.389 57.677 114.311 1 ? 2.651e+04 1.05e+01 a 0 0 0 0 0 100 6.770 55.572 116.155 1 ? 4.503e+04 1.26e+01 a 0 0 0 0 0 101 6.953 57.721 110.208 1 ? 6.774e+04 1.82e+01 a 0 0 0 0 0 102 8.901 53.808 127.084 1 ? 2.065e+04 2.73e+00 a 0 0 0 0 0 103 8.779 53.842 128.354 1 ? 4.448e+04 1.33e+01 a 0 0 0 0 0 104 8.728 62.253 119.247 1 ? 3.350e+04 1.27e+01 a 0 0 0 0 0 105 8.793 64.073 118.966 1 ? 6.332e+04 1.84e+01 a 0 0 0 0 0 106 8.764 58.780 118.524 1 ? 6.346e+04 1.60e+01 a 0 0 0 0 0 107 8.818 54.033 118.277 1 ? 4.131e+03 2.31e+00 a 0 0 0 0 0 108 8.853 57.432 120.744 1 ? 8.727e+04 2.09e+01 a 0 0 0 0 0 109 7.529 57.381 121.160 1 ? 3.871e+04 9.88e+00 a 0 0 0 0 0 110 7.460 59.660 117.440 1 ? 3.931e+04 1.29e+01 a 0 0 0 0 0 111 7.619 54.739 117.395 1 ? 3.038e+04 9.65e+00 a 0 0 0 0 0 112 7.039 59.121 113.978 1 ? 3.067e+04 9.76e+00 a 0 0 0 0 0 113 8.533 56.600 116.018 1 ? 8.096e+04 1.77e+01 a 0 0 0 0 0 114 8.548 62.501 108.837 1 ? 6.639e+04 1.77e+01 a 0 0 0 0 0 115 8.993 58.727 113.689 1 ? 2.235e+04 7.78e+00 a 0 0 0 0 0 116 8.311 57.705 114.137 1 ? 5.104e+04 2.16e+01 a 0 0 0 0 0 117 8.447 58.898 117.383 1 ? 8.149e+04 6.29e+00 a 0 0 0 0 0 118 8.627 54.898 117.787 1 ? 6.058e+04 1.08e+01 a 0 0 0 0 0 119 8.232 51.876 123.315 1 ? 3.835e+04 1.29e+01 a 0 0 0 0 0 120 8.513 57.911 122.550 1 ? 9.055e+04 1.24e+01 a 0 0 0 0 0 121 8.625 58.864 122.592 1 ? 5.091e+04 6.34e+00 a 0 0 0 0 0 122 8.044 66.571 118.210 1 ? 5.176e+04 1.54e+01 a 0 0 0 0 0 123 8.121 63.336 117.402 1 ? 8.658e+04 1.95e+01 a 0 0 0 0 0 124 7.872 61.493 117.655 1 ? 2.350e+04 5.90e+00 a 0 0 0 0 0 125 7.928 57.295 117.450 1 ? 2.630e+04 9.05e+00 a 0 0 0 0 0 126 7.873 61.509 117.752 1 ? 1.197e+04 6.48e+00 a 0 0 0 0 0 127 8.202 65.330 117.913 1 ? 6.276e+04 1.10e+01 a 0 0 0 0 0 128 8.170 60.755 118.200 1 ? 7.208e+04 9.91e+00 a 0 0 0 0 0 129 8.170 45.458 118.200 1 ? 8.553e+04 6.31e+00 a 0 0 0 0 0 130 8.307 60.334 118.915 1 ? 8.941e+04 1.08e+01 a 0 0 0 0 0 131 8.356 56.952 120.125 1 ? 2.307e+05 1.39e+01 a 0 0 0 0 0 132 8.118 45.524 120.405 1 ? 6.791e+04 1.91e+01 a 0 0 0 0 0 133 7.840 58.237 121.004 1 ? 3.203e+04 9.67e+00 a 0 0 0 0 0 134 7.919 57.514 120.521 1 ? 5.754e+04 1.58e+01 a 0 0 0 0 0 135 7.955 59.360 120.765 1 ? 7.026e+04 1.22e+01 a 0 0 0 0 0 136 8.480 58.660 118.664 1 ? 1.396e+05 7.87e+00 a 0 0 0 0 0 137 7.260 47.674 117.456 1 ? 1.547e+04 2.90e+00 a 0 0 0 0 0 138 8.041 59.888 115.635 1 ? 4.185e+04 1.68e+01 a 0 0 0 0 0 139 7.248 65.533 115.976 1 ? 2.000e+04 5.36e+00 a 0 0 0 0 0 140 7.552 53.731 117.790 1 ? 1.297e+04 2.77e+00 a 0 0 0 0 0 141 7.325 46.588 118.296 1 ? 1.290e+04 4.31e+00 a 0 0 0 0 0 142 8.534 60.822 125.580 1 ? 9.433e+04 6.15e+00 a 0 0 0 0 0 143 8.646 60.746 125.097 1 ? 2.054e+05 6.09e+00 a 0 0 0 0 0 144 8.229 56.815 123.625 1 ? 1.588e+05 1.45e+01 a 0 0 0 0 0 145 8.229 53.890 123.625 1 ? 3.222e+03 5.30e+00 a 0 0 0 0 0 146 8.351 53.472 120.708 1 ? 3.683e+05 2.55e+01 a 0 0 0 0 0 147 8.447 54.937 118.029 1 ? 1.447e+04 4.34e+00 a 0 0 0 0 0 148 9.409 53.616 120.224 1 ? 4.570e+04 8.64e+00 a 0 0 0 0 0 149 8.246 57.630 121.596 1 ? 6.448e+04 1.69e+01 a 0 0 0 0 0 150 8.116 56.755 120.654 1 ? 1.232e+05 1.58e+01 a 0 0 0 0 0 151 8.189 65.403 117.890 1 ? 4.225e+04 1.49e+01 a 0 0 0 0 0 152 8.299 56.165 120.688 1 ? 1.357e+05 9.23e+00 a 0 0 0 0 0 153 8.853 54.106 128.060 1 ? 3.994e+04 8.44e+00 a 0 0 0 0 0 154 8.897 53.908 127.133 1 ? 3.260e+04 3.69e+00 a 0 0 0 0 0 155 9.144 48.759 122.599 1 ? 4.266e+04 2.07e+01 a 0 0 0 0 0 156 9.213 57.286 122.430 1 ? 7.753e+04 2.49e+01 a 0 0 0 0 0