# Number of dimensions 3 #INAME 1 1H #INAME 2 13C #INAME 3 15N 1 9.081 176.995 129.240 1 ? 9.514e+04 6.61e+00 a 0 0 0 0 0 2 8.824 174.191 127.762 1 ? 7.498e+04 2.20e+01 a 0 0 0 0 0 3 8.583 173.573 127.419 1 ? 1.335e+05 2.07e+01 a 0 0 0 0 0 4 7.853 175.314 124.960 1 ? 7.103e+05 2.46e+01 a 0 0 0 0 0 5 8.467 172.835 124.074 1 ? 1.014e+05 2.09e+01 a 0 0 0 0 0 6 7.969 175.088 123.997 1 ? 1.541e+05 1.59e+01 a 0 0 0 0 0 7 9.130 175.947 123.637 1 ? 1.101e+05 2.71e+01 a 0 0 0 0 0 8 8.226 175.103 123.620 1 ? 2.386e+05 2.72e+01 a 0 0 0 0 0 9 8.057 174.745 123.318 1 ? 3.102e+05 2.43e+01 a 0 0 0 0 0 10 8.572 175.715 123.226 1 ? 1.072e+05 2.29e+01 a 0 0 0 0 0 11 8.470 176.243 122.712 1 ? 1.548e+05 6.87e+00 a 0 0 0 0 0 12 9.139 174.549 122.590 1 ? 7.615e+04 2.31e+01 a 0 0 0 0 0 13 8.317 174.790 122.434 1 ? 2.261e+05 2.38e+01 a 0 0 0 0 0 14 8.714 176.149 122.305 1 ? 8.320e+04 2.34e+01 a 0 0 0 0 0 15 7.878 176.614 122.022 1 ? 1.082e+05 2.34e+01 a 0 0 0 0 0 16 8.440 177.294 121.932 1 ? 3.040e+05 2.24e+01 a 0 0 0 0 0 17 8.510 176.137 121.640 1 ? 3.211e+05 6.39e+00 a 0 0 0 0 0 18 8.209 170.555 121.569 1 ? 8.679e+04 2.69e+01 a 0 0 0 0 0 19 7.653 174.557 121.522 1 ? 2.132e+05 3.64e+01 a 0 0 0 0 0 20 7.595 178.781 121.390 1 ? 9.933e+04 2.11e+01 a 0 0 0 0 0 21 7.935 179.659 121.195 1 ? 1.255e+05 7.33e+00 a 0 0 0 0 0 22 8.344 176.458 121.203 1 ? 1.385e+05 1.29e+01 a 0 0 0 0 0 23 8.647 179.304 121.060 1 ? 7.555e+04 6.31e+00 a 0 0 0 0 0 24 8.751 173.759 121.153 1 ? 1.243e+05 2.55e+01 a 0 0 0 0 0 25 8.060 177.001 120.797 1 ? 2.548e+05 1.94e+01 a 0 0 0 0 0 26 8.345 174.981 120.713 1 ? 2.869e+05 2.84e+01 a 0 0 0 0 0 27 8.186 174.538 120.705 1 ? 1.334e+05 2.25e+01 a 0 0 0 0 0 28 8.112 179.179 120.651 1 ? 1.171e+05 1.69e+01 a 0 0 0 0 0 29 8.555 177.437 120.513 1 ? 2.048e+05 2.38e+01 a 0 0 0 0 0 30 8.024 173.245 120.333 1 ? 1.605e+05 1.71e+01 a 0 0 0 0 0 31 7.817 175.975 120.031 1 ? 1.441e+05 2.43e+01 a 0 0 0 0 0 32 8.293 177.596 119.933 1 ? 1.362e+05 2.55e+01 a 0 0 0 0 0 33 8.353 174.300 119.867 1 ? 1.895e+05 1.69e+01 a 0 0 0 0 0 34 8.657 177.935 119.645 1 ? 9.052e+04 6.67e+00 a 0 0 0 0 0 35 8.217 175.470 119.640 1 ? 8.697e+04 7.39e+00 a 0 0 0 0 0 36 7.951 178.962 119.224 1 ? 8.936e+04 2.15e+01 a 0 0 0 0 0 37 7.401 179.788 119.156 1 ? 1.022e+05 2.32e+01 a 0 0 0 0 0 38 7.354 179.034 118.939 1 ? 9.748e+04 2.81e+01 a 0 0 0 0 0 39 8.346 173.966 118.923 1 ? 1.527e+05 1.17e+01 a 0 0 0 0 0 40 7.909 177.388 118.673 1 ? 8.682e+04 2.00e+01 a 0 0 0 0 0 41 7.263 174.907 118.391 1 ? 1.175e+05 3.22e+01 a 0 0 0 0 0 42 7.263 174.599 118.391 1 ? 3.894e+03 5.55e+00 a 0 0 0 0 0 43 7.716 177.310 118.412 1 ? 8.690e+04 2.40e+01 a 0 0 0 0 0 44 8.165 176.856 118.124 1 ? 8.993e+04 1.57e+01 a 0 0 0 0 0 45 8.446 176.994 118.023 1 ? 9.684e+04 1.01e+01 a 0 0 0 0 0 46 8.446 175.070 118.023 1 ? 5.931e+04 7.34e+00 a 0 0 0 0 0 47 7.527 178.258 117.979 1 ? 1.034e+05 2.19e+01 a 0 0 0 0 0 48 8.336 176.847 117.956 1 ? 1.189e+05 2.38e+01 a 0 0 0 0 0 49 8.526 178.420 117.847 1 ? 9.547e+04 2.52e+01 a 0 0 0 0 0 51 8.081 173.261 117.267 1 ? 1.366e+05 2.23e+01 a 0 0 0 0 0 52 8.669 177.510 117.012 1 ? 1.529e+05 2.01e+01 a 0 0 0 0 0 53 7.588 177.845 116.997 1 ? 9.517e+04 2.18e+01 a 0 0 0 0 0 54 7.866 178.884 116.769 1 ? 1.061e+05 2.15e+01 a 0 0 0 0 0 55 9.160 176.723 116.647 1 ? 9.393e+04 2.19e+01 a 0 0 0 0 0 56 8.789 174.617 115.841 1 ? 9.851e+04 6.58e+00 a 0 0 0 0 0 57 8.166 176.835 115.953 1 ? 2.019e+05 3.02e+01 a 0 0 0 0 0 59 8.279 177.316 115.834 1 ? 1.511e+05 2.23e+01 a 0 0 0 0 0 60 7.999 179.289 115.637 1 ? 9.072e+04 2.30e+01 a 0 0 0 0 0 61 8.999 176.512 114.911 1 ? 1.001e+05 1.98e+01 a 0 0 0 0 0 62 8.608 173.403 114.987 1 ? 1.218e+05 2.33e+01 a 0 0 0 0 0 63 8.635 174.068 114.651 1 ? 7.886e+04 1.99e+01 a 0 0 0 0 0 64 8.234 175.494 114.465 1 ? 4.880e+04 2.39e+01 a 0 0 0 0 0 68 7.574 169.583 113.005 1 ? 1.582e+04 2.39e+00 a 0 0 0 0 0 69 7.553 169.591 112.954 1 ? 1.857e+04 3.05e+00 a 0 0 0 0 0 74 6.851 180.629 112.216 1 ? 3.152e+04 7.75e+00 a 0 0 0 0 0 75 7.386 179.854 112.231 1 ? 9.971e+03 9.24e+00 a 0 0 0 0 0 76 6.883 179.837 112.209 1 ? 1.680e+04 5.48e+00 a 0 0 0 0 0 77 7.539 173.957 111.880 1 ? 1.227e+05 2.84e+01 a 0 0 0 0 0 81 7.629 176.522 110.817 1 ? 1.206e+05 2.82e+01 a 0 0 0 0 0 82 8.457 176.707 110.286 1 ? 1.446e+05 1.47e+01 a 0 0 0 0 0 83 8.515 176.548 110.199 1 ? 2.037e+05 2.49e+01 a 0 0 0 0 0 84 7.861 176.653 108.539 1 ? 1.734e+05 2.84e+01 a 0 0 0 0 0 87 9.210 175.116 128.698 1 ? 7.875e+04 2.53e+01 a 0 0 0 0 0 88 9.729 175.098 128.618 1 ? 5.853e+04 2.39e+01 a 0 0 0 0 0 89 9.106 171.909 127.944 1 ? 8.827e+04 5.84e+00 a 0 0 0 0 0 90 9.284 175.802 127.210 1 ? 5.514e+04 2.34e+01 a 0 0 0 0 0 91 9.317 175.091 126.467 1 ? 7.774e+04 2.38e+01 a 0 0 0 0 0 92 9.751 175.149 126.205 1 ? 4.233e+04 2.38e+01 a 0 0 0 0 0 93 10.305 178.722 131.127 1 ? 1.894e+04 7.34e+00 a 0 0 0 0 0 94 11.176 179.722 130.395 1 ? 1.653e+04 4.90e+00 a 0 0 0 0 0 95 7.418 178.376 134.783 1 ? 8.469e+03 6.52e+00 a 0 0 0 0 0 96 7.611 177.525 120.300 1 ? 8.493e+04 1.72e+01 a 0 0 0 0 0 97 7.283 176.681 120.116 1 ? 5.845e+04 2.24e+01 a 0 0 0 0 0 98 7.144 176.832 122.341 1 ? 6.070e+04 2.67e+01 a 0 0 0 0 0 99 6.591 175.910 122.167 1 ? 4.761e+04 1.98e+01 a 0 0 0 0 0 100 7.584 177.030 125.300 1 ? 4.827e+04 1.75e+01 a 0 0 0 0 0 101 7.851 174.062 125.556 1 ? 6.544e+04 7.26e+00 a 0 0 0 0 0 102 8.883 177.962 124.354 1 ? 4.770e+04 1.78e+01 a 0 0 0 0 0 103 8.938 175.248 123.933 1 ? 8.521e+04 2.45e+01 a 0 0 0 0 0 104 8.865 176.384 123.041 1 ? 5.552e+04 1.67e+01 a 0 0 0 0 0 105 9.751 174.110 120.750 1 ? 8.576e+04 2.00e+01 a 0 0 0 0 0 106 9.286 174.745 120.624 1 ? 1.021e+05 2.47e+01 a 0 0 0 0 0 107 9.354 176.457 120.236 1 ? 1.096e+05 2.92e+01 a 0 0 0 0 0 108 9.429 176.928 119.143 1 ? 8.069e+04 2.22e+01 a 0 0 0 0 0 109 9.427 174.964 118.266 1 ? 4.537e+04 7.68e+00 a 0 0 0 0 0 110 9.319 177.687 117.177 1 ? 9.245e+04 7.16e+00 a 0 0 0 0 0 111 9.207 174.148 122.431 1 ? 8.900e+04 2.35e+01 a 0 0 0 0 0 112 8.304 174.849 112.555 1 ? 4.028e+04 1.96e+01 a 0 0 0 0 0 113 8.566 175.772 112.132 1 ? 1.687e+04 1.10e+01 a 0 0 0 0 0 114 8.767 174.477 111.645 1 ? 6.821e+04 7.92e+00 a 0 0 0 0 0 115 8.339 177.576 111.148 1 ? 8.109e+04 6.84e+00 a 0 0 0 0 0 116 8.585 174.035 109.052 1 ? 7.556e+04 2.76e+01 a 0 0 0 0 0 117 8.314 174.103 108.223 1 ? 1.052e+05 2.21e+01 a 0 0 0 0 0 118 6.572 172.080 107.637 1 ? 3.276e+04 1.94e+01 a 0 0 0 0 0 121 7.729 177.954 115.043 1 ? 9.505e+04 6.73e+00 a 0 0 0 0 0 123 7.332 176.789 116.394 1 ? 5.997e+04 1.84e+01 a 0 0 0 0 0 124 7.388 175.038 114.308 1 ? 3.043e+04 1.67e+01 a 0 0 0 0 0 125 6.765 176.619 116.138 1 ? 4.796e+04 1.88e+01 a 0 0 0 0 0 128 6.947 173.123 110.203 1 ? 7.793e+04 2.14e+01 a 0 0 0 0 0 130 8.893 174.906 127.022 1 ? 8.033e+04 8.08e+00 a 0 0 0 0 0 131 8.771 174.572 128.366 1 ? 5.049e+04 1.98e+01 a 0 0 0 0 0 132 8.718 177.207 119.207 1 ? 6.495e+04 1.69e+01 a 0 0 0 0 0 133 8.788 177.228 118.961 1 ? 6.608e+04 2.28e+01 a 0 0 0 0 0 134 8.758 178.625 118.528 1 ? 7.268e+04 2.54e+01 a 0 0 0 0 0 135 8.818 173.283 118.443 1 ? 5.800e+04 1.87e+01 a 0 0 0 0 0 136 8.818 179.913 118.443 1 ? 3.230e+04 1.52e+01 a 0 0 0 0 0 138 8.846 176.237 120.746 1 ? 9.520e+04 2.57e+01 a 0 0 0 0 0 139 7.526 179.526 121.194 1 ? 7.085e+04 2.04e+01 a 0 0 0 0 0 140 7.454 178.016 117.452 1 ? 4.724e+04 1.59e+01 a 0 0 0 0 0 141 7.615 179.628 117.388 1 ? 3.259e+04 1.53e+01 a 0 0 0 0 0 144 7.034 173.619 113.882 1 ? 2.346e+04 9.07e+00 a 0 0 0 0 0 145 6.992 174.277 114.769 1 ? 1.670e+04 6.10e+00 a 0 0 0 0 0 146 8.527 172.221 115.919 1 ? 9.362e+04 8.03e+00 a 0 0 0 0 0 147 8.542 177.659 108.838 1 ? 7.380e+04 2.29e+01 a 0 0 0 0 0 148 8.978 177.982 113.672 1 ? 1.795e+04 1.14e+01 a 0 0 0 0 0 149 8.307 177.064 114.038 1 ? 5.005e+04 8.96e+00 a 0 0 0 0 0 150 8.440 173.936 117.376 1 ? 9.670e+04 2.49e+01 a 0 0 0 0 0 151 8.625 177.012 117.759 1 ? 5.552e+04 1.26e+01 a 0 0 0 0 0 152 8.226 175.327 123.296 1 ? 5.722e+04 8.93e+00 a 0 0 0 0 0 154 8.620 179.689 122.634 1 ? 3.892e+04 1.95e+01 a 0 0 0 0 0 155 8.039 177.622 118.206 1 ? 6.646e+04 1.67e+01 a 0 0 0 0 0 156 8.114 176.163 117.402 1 ? 9.726e+04 2.31e+01 a 0 0 0 0 0 157 7.869 175.361 117.695 1 ? 1.890e+04 1.48e+01 a 0 0 0 0 0 158 7.914 175.888 117.460 1 ? 3.715e+04 1.61e+01 a 0 0 0 0 0 159 7.871 175.368 117.727 1 ? 3.095e+04 1.11e+01 a 0 0 0 0 0 160 8.186 178.980 117.899 1 ? 9.072e+04 1.83e+01 a 0 0 0 0 0 161 8.150 178.155 118.221 1 ? 7.616e+04 8.31e+00 a 0 0 0 0 0 162 8.150 172.696 118.221 1 ? 6.771e+04 8.07e+00 a 0 0 0 0 0 163 8.302 176.241 118.930 1 ? 1.086e+05 1.97e+01 a 0 0 0 0 0 164 8.354 176.470 120.028 1 ? 1.760e+05 4.34e+00 a 0 0 0 0 0 165 8.112 173.178 120.396 1 ? 4.657e+04 4.44e+00 a 0 0 0 0 0 166 7.835 175.583 120.939 1 ? 4.213e+04 1.09e+01 a 0 0 0 0 0 167 7.913 175.625 120.523 1 ? 7.057e+04 1.72e+01 a 0 0 0 0 0 168 7.950 179.400 120.792 1 ? 6.942e+04 1.04e+01 a 0 0 0 0 0 169 8.525 178.341 124.124 1 ? 9.416e+04 4.40e+00 a 0 0 0 0 0 170 8.476 174.756 118.749 1 ? 4.229e+04 1.53e+01 a 0 0 0 0 0 171 7.262 173.459 117.435 1 ? 4.541e+04 2.46e+01 a 0 0 0 0 0 172 8.037 179.713 115.635 1 ? 4.986e+04 1.97e+01 a 0 0 0 0 0 173 7.260 177.088 115.932 1 ? 2.533e+04 1.34e+01 a 0 0 0 0 0 174 7.456 172.984 117.830 1 ? 5.242e+04 1.72e+01 a 0 0 0 0 0 175 7.288 173.045 118.268 1 ? 4.936e+04 1.92e+01 a 0 0 0 0 0 176 7.288 179.683 118.268 1 ? 1.277e+04 5.13e+00 a 0 0 0 0 0 177 8.530 174.044 125.565 1 ? 1.509e+05 8.02e+00 a 0 0 0 0 0 178 8.641 176.615 125.051 1 ? 9.558e+04 6.70e+00 a 0 0 0 0 0 184 8.509 178.052 122.519 2 ? 0.000e+00 0.00e+00 - 0 0 0 0 0 186 8.387 178.148 119.413 2 ? 0.000e+00 0.00e+00 - 0 0 0 0 0 188 8.297 178.516 117.583 2 ? 0.000e+00 0.00e+00 - 0 0 0 0 0 189 9.046 174.286 129.667 1 ? 0.000e+00 0.00e+00 - 0 0 0 0 0 190 9.397 173.353 120.157 1 ? 0.000e+00 0.00e+00 - 0 0 0 0 0