# Number of dimensions 3 #FORMAT xeasy3D_LW #INAME 1 1H #INAME 2 15N #INAME 3 13C #ASSIGN_MODE 1 SSP 1 7.821 127.414 174.935 1 ? 6.749e+04 2.19e+01 a 0 0 0 0 #LW 0.039 0.389 0.148 #ID 2 2 8.333 125.972 174.319 1 ? 6.354e+04 2.54e+01 a 0 0 0 0 #LW 0.036 0.389 0.122 #ID 3 3 8.333 125.972 174.225 1 ? 1.051e+04 1.08e+01 a 0 0 0 0 #LW 0.036 0.389 0.046 #ID 3 4 8.263 125.295 176.845 1 ? 6.799e+04 2.11e+01 a 0 0 0 0 #LW 0.037 0.374 0.136 #ID 4 5 8.264 124.807 176.583 1 ? 6.920e+04 1.59e+01 a 0 0 0 0 #LW 0.036 0.377 0.157 #ID 5 6 8.348 124.154 174.701 1 ? 5.214e+04 1.03e+01 a 0 0 0 0 #LW 0.041 0.377 0.161 #ID 6 7 8.264 124.108 176.020 1 ? 6.712e+04 1.04e+01 a 0 0 0 0 #LW 0.039 0.389 0.129 #ID 7 8 7.862 123.863 175.223 1 ? 5.618e+04 1.45e+01 a 0 0 0 0 #LW 0.039 0.381 0.159 #ID 8 9 8.462 123.818 176.094 1 ? 7.292e+04 1.96e+01 a 0 0 0 0 #LW 0.039 0.435 0.145 #ID 9 10 8.190 123.755 177.733 1 ? 5.830e+04 2.06e+01 a 0 0 0 0 #LW 0.037 0.381 0.163 #ID 10 11 8.142 123.681 177.461 1 ? 6.203e+04 2.53e+01 a 0 0 0 0 #LW 0.040 0.401 0.162 #ID 11 12 8.243 123.509 176.287 1 ? 1.610e+05 6.61e+00 a 0 0 0 0 #LW 0.039 0.826 0.221 #ID 12 13 8.545 123.508 174.851 1 ? 5.224e+04 1.66e+01 a 0 0 0 0 #LW 0.043 0.397 0.180 #ID 13 14 8.338 123.449 174.517 1 ? 9.157e+04 1.75e+01 a 0 0 0 0 #LW 0.035 0.381 0.153 #ID 14 15 8.439 123.309 176.184 1 ? 5.022e+04 1.25e+01 a 0 0 0 0 #LW 0.037 0.360 0.145 #ID 15 16 8.393 123.292 174.720 1 ? 8.504e+04 1.61e+01 a 0 0 0 0 #LW 0.034 0.377 0.151 #ID 16 17 8.215 123.062 174.007 1 ? 7.425e+04 1.60e+01 a 0 0 0 0 #LW 0.038 0.389 0.146 #ID 17 18 8.358 122.848 176.654 1 ? 7.302e+04 1.97e+01 a 0 0 0 0 #LW 0.037 0.377 0.153 #ID 18 19 8.455 122.745 177.190 1 ? 7.040e+04 2.26e+01 a 0 0 0 0 #LW 0.037 0.360 0.158 #ID 19 20 8.285 122.746 177.122 1 ? 7.778e+04 2.44e+01 a 0 0 0 0 #LW 0.037 0.374 0.135 #ID 20 21 8.217 122.491 174.854 1 ? 6.209e+04 3.04e+01 a 0 0 0 0 #LW 0.039 0.385 0.139 #ID 21 22 8.259 122.378 176.641 1 ? 6.871e+04 2.44e+01 a 0 0 0 0 #LW 0.040 0.401 0.151 #ID 22 23 8.450 122.301 176.315 1 ? 6.043e+04 1.48e+01 a 0 0 0 0 #LW 0.036 0.402 0.128 #ID 23 24 8.021 121.894 178.276 1 ? 5.742e+04 2.18e+01 a 0 0 0 0 #LW 0.039 0.397 0.132 #ID 24 25 8.558 121.747 176.228 1 ? 6.994e+04 2.75e+01 a 0 0 0 0 #LW 0.038 0.374 0.149 #ID 25 26 8.100 121.758 175.778 1 ? 5.093e+04 3.01e+01 a 0 0 0 0 #LW 0.042 0.377 0.149 #ID 26 27 8.426 121.646 176.633 1 ? 1.346e+05 1.18e+01 a 0 0 0 0 #LW 0.041 0.397 0.281 #ID 27 28 8.268 121.565 177.452 1 ? 7.117e+04 2.39e+01 a 0 0 0 0 #LW 0.036 0.389 0.125 #ID 28 29 8.024 121.557 176.504 1 ? 7.322e+04 1.91e+01 a 0 0 0 0 #LW 0.037 0.377 0.135 #ID 29 30 8.184 121.234 176.379 1 ? 8.776e+04 1.17e+01 a 0 0 0 0 #LW 0.037 0.397 0.155 #ID 31 31 8.496 121.170 176.929 1 ? 8.849e+04 1.35e+01 a 0 0 0 0 #LW 0.034 0.397 0.124 #ID 33 32 8.035 121.101 177.886 1 ? 6.900e+04 3.05e+01 a 0 0 0 0 #LW 0.038 0.370 0.159 #ID 34 33 8.178 120.897 177.937 1 ? 5.339e+04 4.90e+00 a 0 0 0 0 #LW 0.040 0.374 0.163 #ID 35 34 8.250 120.872 177.831 1 ? 5.920e+04 4.76e+00 a 0 0 0 0 #LW 0.046 0.349 0.158 #ID 36 35 7.818 120.857 174.088 1 ? 1.294e+05 1.77e+01 a 0 0 0 0 #LW 0.034 0.377 0.150 #ID 37 36 8.174 120.699 176.623 1 ? 7.566e+04 1.58e+01 a 0 0 0 0 #LW 0.037 0.363 0.137 #ID 38 37 8.474 120.730 176.874 1 ? 6.559e+04 1.32e+01 a 0 0 0 0 #LW 0.039 0.422 0.178 #ID 39 38 8.046 120.567 177.343 1 ? 6.687e+04 2.32e+01 a 0 0 0 0 #LW 0.036 0.385 0.123 #ID 40 39 8.215 120.344 177.398 1 ? 7.774e+04 1.53e+01 a 0 0 0 0 #LW 0.035 0.418 0.158 #ID 41 40 7.968 120.337 176.925 1 ? 9.180e+04 1.32e+01 a 0 0 0 0 #LW 0.039 0.377 0.140 #ID 42 41 7.909 120.126 178.703 1 ? 1.955e+04 2.35e+01 a 0 0 0 0 #LW 0.053 0.370 0.169 #ID 43 42 8.143 119.902 176.858 1 ? 5.687e+04 2.19e+01 a 0 0 0 0 #LW 0.040 0.381 0.173 #ID 44 43 8.436 119.801 176.218 1 ? 7.444e+04 1.98e+01 a 0 0 0 0 #LW 0.037 0.385 0.069 #ID 45 44 8.124 119.541 174.756 1 ? 6.516e+04 2.26e+01 a 0 0 0 0 #LW 0.037 0.377 0.129 #ID 46 45 8.203 119.407 177.480 1 ? 5.466e+04 1.70e+01 a 0 0 0 0 #LW 0.042 0.366 0.162 #ID 47 46 8.507 119.279 176.727 1 ? 7.105e+04 2.84e+01 a 0 0 0 0 #LW 0.035 0.374 0.118 #ID 48 47 8.435 118.987 174.863 1 ? 1.011e+05 3.98e+01 a 0 0 0 0 #LW 0.035 0.374 0.113 #ID 49 48 8.223 118.906 179.338 1 ? 5.587e+04 2.50e+01 a 0 0 0 0 #LW 0.039 0.387 0.172 #ID 50 49 8.515 118.019 174.551 1 ? 1.775e+04 2.13e+01 a 0 0 0 0 #LW 0.056 0.370 0.167 #ID 51 50 8.515 118.019 179.301 1 ? 2.262e+04 7.40e+00 a 0 0 0 0 #LW 0.056 0.370 0.166 #ID 51 51 8.175 117.844 176.082 1 ? 5.288e+04 1.63e+01 a 0 0 0 0 #LW 0.040 0.381 0.161 #ID 52 52 8.508 117.221 177.231 1 ? 6.329e+04 1.35e+01 a 0 0 0 0 #LW 0.041 0.401 0.133 #ID 53 53 8.228 116.202 174.961 1 ? 9.043e+04 2.65e+01 a 0 0 0 0 #LW 0.037 0.385 0.132 #ID 54 54 8.193 115.768 174.285 1 ? 6.612e+04 2.03e+01 a 0 0 0 0 #LW 0.038 0.389 0.160 #ID 55 55 8.141 115.657 174.258 1 ? 6.250e+04 2.18e+01 a 0 0 0 0 #LW 0.036 0.397 0.150 #ID 56 56 8.184 114.597 176.606 1 ? 9.856e+04 1.69e+01 a 0 0 0 0 #LW 0.037 0.385 0.127 #ID 57 57 6.953 113.990 177.370 1 ? 5.062e+03 3.99e+00 a 0 0 0 0 #LW 0.033 1.320 0.156 #ID 58 58 7.804 113.959 177.396 1 ? 1.187e+04 7.11e+00 a 0 0 0 0 #LW 0.041 1.500 0.197 #ID 59 59 7.577 112.672 180.691 1 ? 7.091e+03 4.96e+00 a 0 0 0 0 #LW 0.047 1.291 0.137 #ID 61 60 6.897 112.818 174.522 1 ? 3.240e+03 2.74e+00 a 0 0 0 0 #LW 0.104 0.800 0.261 #ID 62 61 7.679 112.441 180.383 1 ? 3.589e+03 3.94e+00 a 0 0 0 0 #LW 0.037 0.944 0.168 #ID 63 62 8.482 110.507 176.818 1 ? 6.320e+04 2.06e+01 a 0 0 0 0 #LW 0.039 0.377 0.126 #ID 65 63 8.451 109.907 177.041 1 ? 5.785e+04 2.11e+01 a 0 0 0 0 #LW 0.038 0.370 0.130 #ID 66 64 8.162 107.245 178.707 1 ? 4.824e+04 3.25e+01 a 0 0 0 0 #LW 0.041 0.366 0.148 #ID 67 65 9.313 130.443 176.964 1 ? 1.770e+04 2.40e+01 a 0 0 0 0 #LW 0.057 0.377 0.171 #ID 68 66 8.995 123.154 175.118 1 ? 1.732e+04 2.15e+01 a 0 0 0 0 #LW 0.055 0.377 0.168 #ID 70 67 8.776 121.186 176.510 1 ? 2.244e+04 1.44e+01 a 0 0 0 0 #LW 0.051 0.456 0.164 #ID 71 68 8.793 120.026 176.791 1 ? 2.535e+04 2.01e+01 a 0 0 0 0 #LW 0.050 0.377 0.167 #ID 73 69 8.943 118.035 179.609 1 ? 1.485e+04 1.90e+01 a 0 0 0 0 #LW 0.059 0.374 0.170 #ID 74 70 8.800 116.955 176.087 1 ? 1.167e+04 1.76e+01 a 0 0 0 0 #LW 0.048 0.389 0.165 #ID 75 71 8.697 115.830 176.413 1 ? 3.559e+03 2.94e+00 a 0 0 0 0 #LW 0.035 1.500 0.231 #ID 76 72 7.964 122.862 174.535 1 ? 2.612e+04 2.06e+01 a 0 0 0 0 #LW 0.053 0.377 0.159 #ID 77 73 7.586 122.823 177.370 1 ? 2.160e+04 2.11e+01 a 0 0 0 0 #LW 0.052 0.385 0.165 #ID 78 74 8.117 126.890 174.520 1 ? 3.163e+04 1.73e+01 a 0 0 0 0 #LW 0.045 0.402 0.159 #ID 80 75 7.946 119.780 179.001 1 ? 2.773e+04 2.59e+01 a 0 0 0 0 #LW 0.049 0.385 0.171 #ID 82 76 7.524 119.412 178.564 1 ? 2.172e+04 1.96e+01 a 0 0 0 0 #LW 0.054 0.370 0.176 #ID 84 77 7.885 119.107 177.754 1 ? 2.149e+04 2.34e+01 a 0 0 0 0 #LW 0.048 0.397 0.164 #ID 85 78 7.599 118.995 179.808 1 ? 2.611e+04 2.29e+01 a 0 0 0 0 #LW 0.047 0.374 0.172 #ID 86 79 7.730 118.927 174.512 1 ? 2.979e+04 1.92e+01 a 0 0 0 0 #LW 0.049 0.385 0.165 #ID 87 80 7.986 118.505 176.411 1 ? 1.903e+04 1.63e+01 a 0 0 0 0 #LW 0.052 0.389 0.173 #ID 88 81 7.845 118.322 178.419 1 ? 2.075e+04 2.51e+01 a 0 0 0 0 #LW 0.051 0.385 0.177 #ID 89 82 7.290 118.062 173.922 1 ? 2.053e+04 1.79e+01 a 0 0 0 0 #LW 0.060 0.370 0.152 #ID 90 83 7.645 117.402 176.264 1 ? 2.298e+04 2.12e+01 a 0 0 0 0 #LW 0.052 0.374 0.173 #ID 91 84 7.831 117.173 176.456 1 ? 2.554e+04 2.50e+01 a 0 0 0 0 #LW 0.049 0.374 0.170 #ID 92 85 7.147 116.012 178.426 1 ? 1.105e+03 2.12e+00 a 0 0 0 0 #LW 0.062 0.453 0.159 #ID 93 86 7.200 115.473 176.326 1 ? 2.508e+04 2.61e+01 a 0 0 0 0 #LW 0.057 0.383 0.174 #ID 94 87 7.260 115.145 175.642 1 ? 1.931e+04 2.02e+01 a 0 0 0 0 #LW 0.055 0.385 0.173 #ID 95 88 7.852 114.559 177.699 1 ? 2.786e+04 2.34e+01 a 0 0 0 0 #LW 0.045 0.389 0.169 #ID 97 89 8.127 114.118 177.144 1 ? 8.505e+04 3.91e+01 a 0 0 0 0 #LW 0.036 0.381 0.124 #ID 99 90 8.336 113.804 175.330 1 ? 1.622e+04 1.99e+01 a 0 0 0 0 #LW 0.054 0.381 0.175 #ID 100 91 7.546 111.803 180.457 1 ? 3.275e+03 2.49e+00 a 0 0 0 0 #LW 0.031 1.500 0.181 #ID 101 92 6.855 111.901 180.349 1 ? 5.537e+03 6.86e+00 a 0 0 0 0 #LW 0.034 1.079 0.167 #ID 102 93 8.118 108.706 175.323 1 ? 2.620e+04 2.56e+01 a 0 0 0 0 #LW 0.046 0.379 0.168 #ID 104 94 9.309 113.973 179.294 1 ? 1.484e+04 1.93e+01 a 0 0 0 0 #LW 0.065 0.397 0.161 #ID 112 95 7.247 122.525 177.675 1 ? 2.119e+04 2.21e+01 a 0 0 0 0 #LW 0.054 0.377 0.163 #ID 113 96 8.634 121.197 177.254 1 ? 3.976e+04 1.79e+00 a 0 0 0 0 #LW 0.020 0.384 0.144 #ID 114 97 8.674 123.405 173.438 1 ? 2.259e+04 2.15e+01 a 0 0 0 0 #LW 0.054 0.397 0.176 #ID 116 98 8.709 123.520 174.437 1 ? 1.242e+04 1.07e+01 a 0 0 0 0 #LW 0.051 0.377 0.173 #ID 117 99 7.540 121.334 178.817 1 ? 2.450e+04 2.56e+01 a 0 0 0 0 #LW 0.055 0.370 0.164 #ID 118 100 7.511 121.453 176.027 1 ? 3.659e+04 2.17e+01 a 0 0 0 0 #LW 0.046 0.377 0.163 #ID 119 101 8.383 122.671 176.366 1 ? 6.459e+04 1.45e+01 a 0 0 0 0 #LW 0.039 0.397 0.164 #ID 120 102 8.376 123.915 179.134 1 ? 2.339e+04 2.52e+01 a 0 0 0 0 #LW 0.046 0.377 0.173 #ID 121 103 8.363 121.471 176.611 1 ? 9.997e+04 1.24e+01 a 0 0 0 0 #LW 0.035 0.381 0.139 #ID 122 104 8.332 121.389 176.985 1 ? 7.190e+04 1.55e+01 a 0 0 0 0 #LW 0.036 0.389 0.154 #ID 123 105 8.331 120.276 173.998 1 ? 2.325e+04 1.04e+01 a 0 0 0 0 #LW 0.050 0.414 0.174 #ID 124 106 8.301 119.420 179.477 1 ? 2.497e+04 1.38e+01 a 0 0 0 0 #LW 0.050 0.381 0.182 #ID 125 107 8.307 118.566 176.911 1 ? 2.939e+04 1.95e+01 a 0 0 0 0 #LW 0.047 0.381 0.153 #ID 126 108 8.123 116.159 180.255 1 ? 2.058e+04 2.50e+01 a 0 0 0 0 #LW 0.049 0.381 0.162 #ID 127 109 6.869 112.451 180.678 1 ? 8.506e+03 4.95e+00 a 0 0 0 0 #LW 0.067 1.500 0.146 #ID 129 110 7.909 106.879 175.291 1 ? 2.202e+04 2.70e+01 a 0 0 0 0 #LW 0.050 0.389 0.168 #ID 130 111 7.391 114.960 174.477 1 ? 1.819e+04 1.86e+01 a 0 0 0 0 #LW 0.051 0.381 0.170 #ID 131