# Number of dimensions 3 #FORMAT xeasy3D_LW #INAME 1 1H #INAME 2 15N #INAME 3 13C #ASSIGN_MODE 1 SSP 1 7.773 127.351 182.681 1 ? 2.648e+05 1.59e+01 a 0 0 0 0 #LW 0.500 0.377 0.329 #ID 2 2 8.325 125.919 173.586 1 ? 2.323e+04 2.09e+00 a 0 0 0 0 #LW 0.072 0.909 0.110 #ID 3 3 8.221 125.276 173.630 1 ? 7.537e+04 4.66e+00 a 0 0 0 0 #LW 0.333 0.989 0.244 #ID 4 4 8.282 124.637 176.212 1 ? 1.291e+05 2.23e+00 a 0 0 0 0 #LW 0.069 0.244 0.206 #ID 5 5 8.345 124.099 175.515 1 ? 3.524e+04 1.76e+00 a 0 0 0 0 #LW 0.386 1.500 0.143 #ID 6 6 8.263 123.927 177.709 1 ? 1.675e+04 2.49e+00 a 0 0 0 0 #LW 0.044 1.411 0.660 #ID 7 7 7.860 123.838 180.038 1 ? 1.003e+04 9.14e-01 a 0 0 0 0 #LW 0.038 1.500 0.683 #ID 8 8 8.454 123.828 182.042 1 ? 1.888e+03 1.56e+00 a 0 0 0 0 #LW 0.041 0.414 0.095 #ID 9 9 8.145 123.732 173.911 1 ? 4.449e+04 3.03e+00 a 0 0 0 0 #LW 0.423 1.500 0.105 #ID 10 10 8.074 123.554 175.071 1 ? 4.020e+04 8.15e+00 a 0 0 0 0 #LW 0.061 0.457 0.093 #ID 11 11 8.242 123.582 172.863 1 ? 9.038e+03 2.03e+00 a 0 0 0 0 #LW 0.053 0.644 0.496 #ID 12 12 8.546 123.319 171.454 1 ? 3.882e+03 2.36e+00 a 0 0 0 0 #LW 0.031 0.698 0.169 #ID 13 13 8.340 123.268 176.959 1 ? 8.783e+03 2.74e+00 a 0 0 0 0 #LW 0.055 0.910 0.284 #ID 14 14 8.434 123.198 182.447 1 ? 3.290e+03 1.89e+00 a 0 0 0 0 #LW 0.032 0.533 0.266 #ID 15 15 8.395 123.150 174.837 1 ? 9.930e+04 2.51e+00 a 0 0 0 0 #LW 0.500 1.500 0.161 #ID 16 16 8.233 123.104 174.347 1 ? 8.633e+03 2.23e+00 a 0 0 0 0 #LW 0.099 0.958 0.147 #ID 17 17 8.335 122.853 170.587 1 ? 1.067e+04 1.20e+00 a 0 0 0 0 #LW 0.087 1.500 0.198 #ID 18 18 8.463 122.653 182.553 1 ? 5.686e+03 2.85e+00 a 0 0 0 0 #LW 0.050 0.997 0.230 #ID 19 19 8.290 122.562 182.569 1 ? 6.342e+03 3.48e+00 a 0 0 0 0 #LW 0.032 0.763 0.306 #ID 20 20 8.150 122.502 174.669 1 ? 8.860e+04 2.64e+00 a 0 0 0 0 #LW 0.343 1.500 0.343 #ID 21 21 8.260 122.247 176.590 1 ? 2.379e+04 7.71e+00 a 0 0 0 0 #LW 0.039 0.453 0.140 #ID 22 22 8.556 122.220 176.039 1 ? 6.957e+04 5.34e+00 a 0 0 0 0 #LW 0.102 0.461 0.188 #ID 23 23 8.022 121.908 174.554 1 ? 6.191e+04 5.96e+00 a 0 0 0 0 #LW 0.057 0.424 0.163 #ID 24 24 8.566 121.713 170.455 1 ? 1.001e+04 2.00e+00 a 0 0 0 0 #LW 0.148 0.878 0.259 #ID 25 25 8.101 121.606 180.806 1 ? 6.956e+03 2.03e+00 a 0 0 0 0 #LW 0.070 1.500 0.145 #ID 26 26 8.415 121.654 176.531 1 ? 1.335e+04 2.46e+00 a 0 0 0 0 #LW 0.065 1.500 0.246 #ID 27 27 8.243 121.575 176.613 1 ? 1.104e+05 5.50e+00 a 0 0 0 0 #LW 0.203 1.500 0.740 #ID 28 28 8.015 121.510 175.314 1 ? 3.008e+04 1.33e+01 a 0 0 0 0 #LW 0.054 0.379 0.156 #ID 29 29 8.204 121.059 174.214 1 ? 7.070e+03 2.75e+00 a 0 0 0 0 #LW 0.045 0.349 0.207 #ID 31 30 8.506 121.168 173.529 1 ? 7.203e+03 1.79e+00 a 0 0 0 0 #LW 0.041 0.882 0.342 #ID 33 31 8.004 120.973 176.283 1 ? 1.984e+04 2.83e+00 a 0 0 0 0 #LW 0.090 1.500 0.382 #ID 34 32 8.203 120.889 174.143 1 ? 2.432e+04 9.69e+00 a 0 0 0 0 #LW 0.045 0.353 0.143 #ID 35 33 8.257 120.700 170.422 1 ? 1.525e+04 2.04e+00 a 0 0 0 0 #LW 0.054 1.500 0.459 #ID 36 34 7.767 120.699 176.799 1 ? 2.023e+04 2.10e+00 a 0 0 0 0 #LW 0.252 1.500 0.198 #ID 37 35 8.144 120.574 171.052 1 ? 2.481e+04 3.04e+00 a 0 0 0 0 #LW 0.396 1.236 0.103 #ID 38 36 8.454 120.731 169.912 1 ? 7.665e+03 1.45e+00 a 0 0 0 0 #LW 0.080 1.500 0.254 #ID 39 37 8.051 120.394 170.932 1 ? 5.690e+04 2.24e+01 a 0 0 0 0 #LW 0.055 0.363 0.058 #ID 40 38 8.209 120.166 173.741 1 ? 1.441e+05 1.15e+01 a 0 0 0 0 #LW 0.045 0.377 0.155 #ID 41 39 7.989 120.159 179.104 1 ? 8.663e+03 1.54e+00 a 0 0 0 0 #LW 0.082 0.920 0.237 #ID 42 40 7.878 120.253 169.684 1 ? 2.686e+04 2.82e+00 a 0 0 0 0 #LW 0.221 1.500 0.366 #ID 43 41 8.133 119.904 181.095 1 ? 1.989e+03 1.26e+00 a 0 0 0 0 #LW 0.035 0.565 0.141 #ID 44 42 8.530 119.669 180.686 1 ? 4.368e+04 2.23e+00 a 0 0 0 0 #LW 0.106 0.421 0.151 #ID 45 43 8.068 119.539 173.889 1 ? 1.551e+05 5.48e+00 a 0 0 0 0 #LW 0.125 0.354 0.205 #ID 46 44 8.194 119.422 175.264 1 ? 7.422e+04 5.11e+00 a 0 0 0 0 #LW 0.053 0.490 0.155 #ID 47 45 8.497 119.126 173.242 1 ? 7.867e+04 3.88e+00 a 0 0 0 0 #LW 0.058 1.500 0.166 #ID 48 46 8.453 118.961 174.222 1 ? 4.422e+04 1.65e+00 a 0 0 0 0 #LW 0.132 1.500 0.173 #ID 49 47 8.217 118.929 180.010 1 ? 6.693e+03 1.55e+00 a 0 0 0 0 #LW 0.094 0.625 0.220 #ID 50 48 8.508 118.049 171.893 1 ? 9.419e+03 2.23e+00 a 0 0 0 0 #LW 0.040 1.314 0.351 #ID 51 49 8.076 117.787 177.002 1 ? 9.430e+04 4.31e+00 a 0 0 0 0 #LW 0.172 1.500 0.181 #ID 52 50 8.478 117.220 176.594 1 ? 5.023e+04 1.74e+01 a 0 0 0 0 #LW 0.084 0.322 0.194 #ID 53 51 8.224 116.167 174.329 1 ? 8.663e+04 3.52e+00 a 0 0 0 0 #LW 0.042 1.004 0.153 #ID 54 52 8.193 115.618 175.115 1 ? 7.914e+03 8.82e-01 a 0 0 0 0 #LW 0.049 1.500 0.427 #ID 55 53 8.142 115.682 178.291 1 ? 4.667e+03 1.27e+00 a 0 0 0 0 #LW 0.050 1.500 0.182 #ID 56 54 8.174 114.597 176.196 1 ? 9.283e+04 6.38e+00 a 0 0 0 0 #LW 0.051 0.414 0.154 #ID 57 55 7.035 114.095 177.345 1 ? 1.165e+05 5.68e+00 a 0 0 0 0 #LW 0.067 1.334 0.154 #ID 58 56 7.771 114.150 177.693 1 ? 6.803e+03 2.54e+00 a 0 0 0 0 #LW 0.036 1.078 0.274 #ID 59 57 7.582 112.787 181.898 1 ? 5.987e+03 1.75e+00 a 0 0 0 0 #LW 0.062 1.500 0.158 #ID 61 58 6.876 112.832 179.306 1 ? 4.480e+03 1.65e+00 a 0 0 0 0 #LW 0.038 0.976 0.213 #ID 62 59 7.679 112.476 169.505 1 ? 1.605e+05 8.87e+00 a 0 0 0 0 #LW 0.500 1.500 0.976 #ID 63 60 8.502 110.479 182.644 1 ? 1.482e+05 8.10e+00 a 0 0 0 0 #LW 0.500 0.490 0.258 #ID 65 61 8.450 109.917 171.841 1 ? 6.622e+03 1.01e+00 a 0 0 0 0 #LW 0.042 1.471 0.282 #ID 66 62 8.143 107.110 170.964 1 ? 2.730e+03 1.40e+00 a 0 0 0 0 #LW 0.046 0.785 0.180 #ID 67 63 9.294 130.421 170.645 1 ? 5.481e+03 1.88e+00 a 0 0 0 0 #LW 0.042 1.500 0.224 #ID 68 64 8.992 123.014 175.291 1 ? 6.084e+04 2.49e+00 a 0 0 0 0 #LW 0.079 1.500 0.176 #ID 70 65 8.779 121.029 178.170 1 ? 2.267e+03 1.07e+00 a 0 0 0 0 #LW 0.040 0.717 0.050 #ID 71 66 8.777 120.018 171.926 1 ? 7.670e+04 3.93e+00 a 0 0 0 0 #LW 0.137 0.839 0.179 #ID 73 67 8.941 117.902 176.382 1 ? 2.581e+04 2.66e+00 a 0 0 0 0 #LW 0.152 1.500 0.379 #ID 74 68 8.794 116.986 180.323 1 ? 6.952e+03 1.85e+00 a 0 0 0 0 #LW 0.064 0.997 0.259 #ID 75 69 8.689 115.906 178.388 1 ? 2.689e+03 1.95e+00 a 0 0 0 0 #LW 0.039 0.477 0.170 #ID 76 70 7.973 122.852 172.058 1 ? 7.155e+03 2.42e+00 a 0 0 0 0 #LW 0.036 0.653 0.468 #ID 77 71 7.570 122.647 177.051 1 ? 2.886e+03 2.09e+00 a 0 0 0 0 #LW 0.045 0.595 0.094 #ID 78 72 8.120 126.872 182.717 1 ? 1.790e+05 6.72e+00 a 0 0 0 0 #LW 0.500 1.500 0.453 #ID 80 73 7.942 119.603 174.522 1 ? 1.045e+04 1.96e+00 a 0 0 0 0 #LW 0.087 0.842 0.264 #ID 82 74 7.546 119.358 173.007 1 ? 5.015e+04 1.95e+01 a 0 0 0 0 #LW 0.056 0.346 0.175 #ID 84 75 7.923 118.989 178.115 1 ? 5.580e+03 1.45e+00 a 0 0 0 0 #LW 0.120 0.636 0.239 #ID 85 76 7.573 118.914 177.377 1 ? 3.324e+03 1.68e+00 a 0 0 0 0 #LW 0.060 0.397 0.148 #ID 86 77 7.722 118.764 177.761 1 ? 9.413e+04 3.28e+00 a 0 0 0 0 #LW 0.105 1.500 0.181 #ID 87 78 7.985 118.411 175.941 1 ? 7.605e+03 2.34e+00 a 0 0 0 0 #LW 0.117 0.444 0.296 #ID 88 79 7.825 118.183 174.703 1 ? 5.418e+03 1.93e+00 a 0 0 0 0 #LW 0.053 0.945 0.206 #ID 89 80 7.288 117.864 175.704 1 ? 1.231e+05 3.81e+00 a 0 0 0 0 #LW 0.500 1.500 0.110 #ID 90 81 7.639 117.404 176.833 1 ? 7.391e+03 1.82e+00 a 0 0 0 0 #LW 0.060 0.901 0.221 #ID 91 82 7.827 117.009 178.059 1 ? 1.013e+04 2.05e+00 a 0 0 0 0 #LW 0.091 1.057 0.195 #ID 92 83 7.153 115.820 174.686 1 ? 4.909e+03 2.05e+00 a 0 0 0 0 #LW 0.027 0.994 0.354 #ID 93 84 7.195 115.503 175.661 1 ? 6.017e+03 2.27e+00 a 0 0 0 0 #LW 0.037 0.904 0.214 #ID 94 85 7.255 115.027 177.471 1 ? 3.939e+03 1.63e+00 a 0 0 0 0 #LW 0.054 1.035 0.144 #ID 95 86 7.842 114.556 181.228 1 ? 4.446e+03 1.66e+00 a 0 0 0 0 #LW 0.037 1.500 0.143 #ID 97 87 8.129 114.131 178.242 1 ? 3.566e+03 1.24e+00 a 0 0 0 0 #LW 0.039 0.566 0.242 #ID 99 88 8.307 113.610 169.585 1 ? 1.738e+04 2.98e+00 a 0 0 0 0 #LW 0.076 0.818 0.938 #ID 100 89 7.541 111.764 181.699 1 ? 4.873e+03 2.08e+00 a 0 0 0 0 #LW 0.029 1.015 0.281 #ID 101 90 6.858 111.804 181.285 1 ? 5.232e+03 1.68e+00 a 0 0 0 0 #LW 0.061 0.737 0.219 #ID 102 91 8.131 108.697 179.431 1 ? 3.899e+03 2.13e+00 a 0 0 0 0 #LW 0.053 0.589 0.110 #ID 104 92 9.240 113.991 172.891 1 ? 1.113e+04 4.23e+00 a 0 0 0 0 #LW 0.118 1.500 0.021 #ID 112 93 7.246 122.390 171.870 1 ? 1.445e+04 2.75e+00 a 0 0 0 0 #LW 0.066 1.500 0.365 #ID 113 94 8.643 121.200 174.292 1 ? 1.582e+05 3.62e+00 a 0 0 0 0 #LW 0.272 1.500 0.252 #ID 114 95 8.654 123.266 179.226 1 ? 2.245e+04 2.44e+00 a 0 0 0 0 #LW 0.493 1.500 0.110 #ID 116 96 8.714 123.417 169.878 1 ? 4.086e+03 1.83e+00 a 0 0 0 0 #LW 0.037 1.115 0.122 #ID 117 97 7.534 121.352 178.294 1 ? 3.570e+03 1.23e+00 a 0 0 0 0 #LW 0.033 0.551 0.491 #ID 118 98 7.519 121.416 174.545 1 ? 1.726e+03 5.98e-01 a 0 0 0 0 #LW 0.053 0.513 0.110 #ID 119 99 8.376 122.650 170.124 1 ? 6.399e+03 1.34e+00 a 0 0 0 0 #LW 0.054 1.500 0.174 #ID 120 100 8.397 123.942 175.580 1 ? 9.024e+04 4.64e+00 a 0 0 0 0 #LW 0.080 0.444 0.158 #ID 121 101 8.359 121.417 177.237 1 ? 9.966e+03 1.38e+00 a 0 0 0 0 #LW 0.112 1.500 0.206 #ID 122 102 8.325 121.217 170.045 1 ? 9.417e+03 1.03e+00 a 0 0 0 0 #LW 0.082 1.500 0.347 #ID 123 103 8.339 120.107 178.711 1 ? 4.244e+03 1.95e+00 a 0 0 0 0 #LW 0.057 0.769 0.135 #ID 124 104 8.287 119.434 177.656 1 ? 2.118e+05 3.74e+00 a 0 0 0 0 #LW 0.081 1.500 0.148 #ID 125 105 8.308 118.376 176.660 1 ? 7.543e+04 1.12e+01 a 0 0 0 0 #LW 0.048 0.404 0.182 #ID 126 106 8.121 116.153 174.509 1 ? 1.238e+05 2.97e+00 a 0 0 0 0 #LW 0.500 1.398 0.339 #ID 127 107 6.843 112.557 181.430 1 ? 3.327e+03 1.73e+00 a 0 0 0 0 #LW 0.029 0.775 0.223 #ID 129 108 7.909 106.731 174.136 1 ? 2.073e+03 1.22e+00 a 0 0 0 0 #LW 0.030 1.156 0.110 #ID 130 109 7.373 114.896 174.182 1 ? 3.220e+03 1.95e+00 a 0 0 0 0 #LW 0.041 0.294 0.259 #ID 131