# Number of dimensions 3 #INAME 1 1H #INAME 2 13C #INAME 3 15N 1 7.264 39.895 130.229 1 ? -8.462e+03 5.62e+00 a 0 216 196 215 0 2 7.264 59.956 130.229 1 ? 8.782e+03 4.86e+00 a 0 216 194 215 0 4 7.264 38.940 130.229 1 ? -2.197e+03 3.44e+00 a 0 216 219 215 0 5 10.109 63.085 128.892 1 ? 1.022e+04 7.73e+00 a 0 237 238 236 0 6 10.109 38.940 128.892 1 ? -4.922e+03 3.47e+00 a 0 237 219 236 0 7 10.109 59.359 128.892 1 ? 4.701e+03 3.32e+00 a 0 237 217 236 0 9 8.479 55.896 128.686 1 ? 1.081e+04 5.87e+00 a 0 365 366 364 0 10 8.479 43.898 128.686 1 ? -6.992e+03 4.71e+00 a 0 365 346 364 0 11 8.479 31.059 128.686 1 ? -8.646e+03 4.34e+00 a 0 365 368 364 0 14 9.017 61.242 128.384 1 ? 8.972e+03 5.02e+00 a 0 1665 1666 1664 0 15 9.241 55.957 127.850 1 ? 1.707e+04 1.34e+01 a 0 970 945 969 0 16 9.241 31.598 127.850 1 ? -1.040e+04 7.98e+00 a 0 970 973 969 0 20 9.362 57.303 127.281 1 ? 1.129e+04 6.90e+00 a 0 1707 1708 1706 0 21 9.362 41.137 127.281 1 ? -7.370e+03 6.73e+00 a 0 1707 1710 1706 0 23 9.474 60.153 127.086 1 ? 1.072e+04 1.06e+01 a 0 1146 1147 1145 0 25 9.474 45.942 127.086 1 ? 4.892e+03 4.55e+00 a 0 1146 1140 1145 0 26 9.474 30.009 127.086 1 ? -3.023e+03 3.56e+00 a 0 1146 1149 1145 0 27 9.664 70.690 126.769 1 ? -4.735e+03 4.68e+00 a 0 854 844 853 0 32 8.266 61.233 126.760 1 ? 1.485e+04 6.75e+00 a 0 1686 1666 1685 0 33 8.266 39.284 126.760 1 ? -8.845e+03 4.72e+00 a 0 1686 1689 1685 0 34 8.266 67.592 126.760 1 ? 5.980e+03 4.13e+00 a 0 0 0 0 0 38 8.833 32.195 126.581 1 ? -6.015e+03 4.55e+00 a 0 0 0 0 0 39 8.035 41.332 126.410 1 ? -1.180e+04 1.03e+01 a 0 1512 1515 1511 0 41 8.035 54.748 126.410 1 ? 3.110e+03 4.30e+00 a 0 1512 1490 1511 0 43 9.691 33.212 126.282 1 ? -4.298e+03 6.94e+00 a 0 817 820 816 0 44 9.691 59.590 126.282 1 ? 6.056e+03 3.33e+00 a 0 817 818 816 0 50 7.812 57.812 126.239 1 ? 2.360e+04 2.15e+01 a 0 1768 1769 1767 0 51 7.812 33.966 126.239 1 ? -2.624e+04 2.06e+01 a 0 1768 1771 1767 0 52 7.812 38.527 126.239 1 ? -1.070e+04 1.18e+01 a 0 1768 1757 1767 0 55 8.714 55.957 126.153 1 ? 1.853e+04 9.97e+00 a 0 944 945 943 0 56 8.714 37.806 126.153 1 ? -4.928e+03 8.39e+00 a 0 944 921 943 0 57 8.714 34.061 126.153 1 ? -6.078e+03 7.56e+00 a 0 944 947 943 0 58 9.231 54.880 124.620 1 ? 1.198e+04 1.73e+01 a 0 918 919 917 0 59 9.231 37.231 124.620 1 ? -1.749e+04 1.38e+01 a 0 918 903 917 0 62 8.770 56.771 124.663 1 ? 6.659e+03 7.37e+00 a 0 872 873 871 0 63 8.767 35.694 124.663 1 ? -4.157e+03 4.68e+00 a 0 872 857 871 0 66 8.009 32.014 124.687 1 ? -8.476e+03 9.73e+00 a 0 416 403 415 0 67 8.009 63.751 124.687 1 ? 9.793e+03 9.23e+00 a 0 416 401 415 0 68 8.009 57.975 124.687 1 ? 9.141e+03 6.20e+00 a 0 416 417 415 0 69 8.009 43.119 124.687 1 ? -4.080e+03 6.20e+00 a 0 416 419 415 0 70 9.296 46.001 124.500 1 ? -1.045e+04 3.88e+00 a 0 707 710 706 0 73 9.296 42.753 124.500 1 ? -3.954e+03 3.42e+00 a 0 707 688 706 0 74 8.303 19.318 124.608 1 ? -2.686e+03 3.53e+00 a 0 20 24 19 0 75 8.303 53.256 124.608 1 ? 4.523e+03 2.60e+00 a 0 20 21 19 0 77 9.504 56.402 124.460 1 ? 8.896e+03 5.90e+00 a 0 1601 1602 1600 0 80 9.504 42.745 124.460 1 ? -4.135e+03 3.60e+00 a 0 1601 1604 1600 0 81 9.272 32.640 124.151 1 ? -7.757e+03 7.93e+00 a 0 1427 1430 1426 0 83 9.272 54.158 124.151 1 ? 5.125e+03 3.76e+00 a 0 1427 1406 1426 0 87 9.374 62.237 123.680 1 ? 4.251e+03 6.64e+00 a 0 1045 1046 1044 0 89 8.076 37.177 123.452 1 ? -1.353e+04 1.27e+01 a 0 900 903 899 0 90 8.076 55.421 123.452 1 ? 1.313e+04 6.89e+00 a 0 900 901 899 0 91 8.076 56.521 123.452 1 ? 7.219e+03 5.21e+00 a 0 900 873 899 0 92 8.076 32.080 123.452 1 ? -5.734e+03 3.36e+00 a 0 900 875 899 0 94 8.054 57.090 123.102 1 ? 1.495e+04 6.60e+00 a 0 779 780 778 0 97 9.625 56.663 122.650 1 ? 7.879e+03 4.43e+00 a 0 1468 1446 1467 0 98 9.625 41.149 122.650 1 ? -7.690e+03 3.95e+00 a 0 1468 1448 1467 0 100 9.626 62.050 122.650 1 ? 8.128e+03 3.13e+00 a 0 1468 1469 1467 0 105 8.759 32.640 122.363 1 ? -5.637e+03 5.01e+00 a 0 193 180 192 0 107 9.572 53.393 122.328 1 ? 1.269e+04 1.47e+01 a 0 685 676 684 0 108 9.572 43.135 122.328 1 ? -1.132e+04 7.61e+00 a 0 685 678 684 0 109 9.572 42.753 122.328 1 ? -1.078e+04 7.52e+00 a 0 685 688 684 0 110 9.572 54.221 122.328 1 ? 4.335e+03 7.06e+00 a 0 685 686 684 0 111 9.011 70.421 122.237 1 ? -1.607e+04 1.38e+01 a 0 841 844 840 0 113 9.013 63.898 122.237 1 ? 1.246e+04 1.02e+01 a 0 841 842 840 0 114 9.009 33.268 122.237 1 ? -5.940e+03 5.22e+00 a 0 841 820 840 0 115 8.842 43.597 122.140 1 ? -6.652e+03 1.19e+01 a 0 1063 1066 1062 0 116 8.842 55.970 122.140 1 ? 1.273e+04 8.36e+00 a 0 1063 1064 1062 0 118 8.842 62.174 122.140 1 ? 2.401e+03 3.88e+00 a 0 1063 1046 1062 0 120 8.576 34.061 122.035 1 ? -6.689e+03 4.27e+00 a 0 1647 1650 1646 0 122 8.576 40.826 122.035 1 ? -2.309e+03 3.31e+00 a 0 1647 1627 1646 0 125 9.268 40.643 122.018 1 ? -7.492e+03 6.30e+00 a 0 1560 1553 1559 0 127 8.025 59.171 122.008 1 ? 1.371e+04 8.41e+00 a 0 445 446 444 0 128 8.025 41.209 122.008 1 ? -1.065e+04 6.38e+00 a 0 445 448 444 0 129 8.025 46.463 122.008 1 ? 5.681e+03 3.70e+00 a 0 445 439 444 0 134 8.702 33.992 121.592 1 ? -6.704e+03 5.52e+00 a 0 1339 1328 1338 0 135 9.185 41.820 121.471 1 ? -1.214e+04 1.13e+01 a 0 1382 1385 1381 0 136 9.186 58.151 121.471 1 ? 1.257e+04 7.04e+00 a 0 1382 1383 1381 0 137 9.185 56.052 121.471 1 ? 2.968e+03 4.42e+00 a 0 1382 1357 1381 0 138 9.185 34.165 121.471 1 ? -4.158e+03 4.08e+00 a 0 1382 1359 1381 0 139 6.967 37.973 121.504 1 ? -8.065e+03 7.36e+00 a 0 1198 1187 1197 0 140 6.967 62.611 121.504 1 ? 6.001e+03 7.06e+00 a 0 1198 1199 1197 0 141 6.967 38.627 121.504 1 ? -7.811e+03 6.27e+00 a 0 1198 1201 1197 0 142 6.967 56.871 121.504 1 ? 2.576e+03 3.37e+00 a 0 1198 1185 1197 0 158 8.044 52.326 120.455 1 ? 7.055e+03 5.93e+00 a 0 343 344 342 0 159 8.044 43.807 120.455 1 ? -9.521e+03 5.89e+00 a 0 343 346 342 0 162 8.724 41.671 120.323 1 ? -1.140e+04 1.36e+01 a 0 133 113 132 0 163 8.724 54.463 120.323 1 ? 9.296e+03 4.58e+00 a 0 133 134 132 0 164 8.724 36.114 120.323 1 ? -2.609e+03 3.81e+00 a 0 133 136 132 0 168 8.919 53.461 120.234 1 ? 9.317e+03 5.26e+00 a 0 675 676 674 0 174 8.908 59.717 119.797 1 ? 1.880e+04 1.46e+01 a 0 247 248 246 0 176 8.908 30.277 119.797 1 ? -9.812e+03 1.30e+01 a 0 247 250 246 0 178 8.263 54.671 119.739 1 ? 4.559e+03 4.76e+00 a 0 30 31 29 0 179 8.264 41.550 119.739 1 ? -6.121e+03 4.29e+00 a 0 30 33 29 0 180 8.264 19.444 119.739 1 ? -2.902e+03 3.59e+00 a 0 30 24 29 0 181 8.559 40.705 119.629 1 ? -1.577e+04 1.42e+01 a 0 1265 1268 1264 0 182 8.557 57.301 119.629 1 ? 1.203e+04 8.09e+00 a 0 1265 1266 1264 0 183 8.557 59.316 119.629 1 ? 4.554e+03 2.97e+00 a 0 1265 1240 1264 0 186 7.446 62.361 119.463 1 ? 6.442e+03 5.38e+00 a 0 1221 1199 1220 0 187 7.446 32.162 119.463 1 ? -7.535e+03 4.45e+00 a 0 1221 1224 1220 0 189 8.470 53.971 119.475 1 ? 5.456e+03 5.59e+00 a 0 1754 1755 1753 0 190 8.470 38.710 119.475 1 ? -3.970e+03 5.56e+00 a 0 1754 1757 1753 0 192 8.470 31.145 119.475 1 ? -2.019e+03 2.33e+00 a 0 1754 1740 1753 0 193 8.640 34.567 119.125 1 ? -1.985e+04 1.51e+01 a 0 92 95 91 0 194 8.640 54.568 119.125 1 ? 1.584e+04 7.36e+00 a 0 92 93 91 0 195 8.640 61.388 119.125 1 ? 5.665e+03 4.23e+00 a 0 92 75 91 0 198 8.489 71.382 118.701 1 ? -1.557e+04 6.35e+00 a 0 1588 1591 1587 0 201 7.160 38.350 118.422 1 ? -1.111e+04 1.82e+01 a 0 519 499 518 0 202 7.160 58.597 118.422 1 ? 1.569e+04 8.90e+00 a 0 519 497 518 0 203 7.160 38.978 118.422 1 ? -3.467e+03 7.24e+00 a 0 519 522 518 0 205 8.302 61.388 118.310 1 ? 5.752e+03 8.70e+00 a 0 74 75 73 0 207 8.302 57.568 118.310 1 ? 5.991e+03 5.93e+00 a 0 74 61 73 0 208 8.302 34.113 118.310 1 ? -8.437e+03 4.81e+00 a 0 74 77 73 0 209 9.415 45.942 118.323 1 ? 9.171e+03 9.81e+00 a 0 1139 1140 1138 0 210 9.415 66.343 118.323 1 ? 8.444e+03 5.26e+00 a 0 1139 1122 1138 0 212 9.415 32.129 118.323 1 ? -6.354e+03 4.23e+00 a 0 1139 1124 1138 0 213 7.481 56.409 118.115 1 ? 3.402e+04 2.14e+01 a 0 1019 1020 1018 0 215 7.481 56.922 118.115 1 ? -9.914e+03 1.09e+01 a 0 1019 1006 1018 0 217 8.007 43.662 117.731 1 ? -9.007e+03 8.40e+00 a 0 729 732 728 0 218 8.007 54.079 117.731 1 ? 4.364e+03 3.24e+00 a 0 729 708 728 0 220 8.007 46.001 117.731 1 ? -2.489e+03 2.18e+00 a 0 729 710 728 0 221 9.426 28.987 117.460 1 ? -8.105e+03 1.39e+01 a 0 1170 1173 1169 0 224 9.429 60.153 117.460 1 ? 1.242e+04 6.95e+00 a 0 1170 1147 1169 0 229 7.573 55.935 117.251 1 ? 2.007e+04 1.86e+01 a 0 1356 1357 1355 0 230 7.575 34.182 117.251 1 ? -1.890e+04 1.48e+01 a 0 1356 1359 1355 0 233 8.458 65.152 117.300 1 ? -9.298e+03 3.62e+00 a 0 762 765 761 0 235 6.439 33.992 117.255 1 ? -1.043e+04 9.50e+00 a 0 1325 1328 1324 0 236 6.439 54.614 117.255 1 ? 1.020e+04 7.45e+00 a 0 1325 1326 1324 0 241 7.495 58.597 116.805 1 ? 2.760e+04 1.98e+01 a 0 496 497 495 0 244 7.495 38.350 116.805 1 ? -7.061e+03 3.89e+00 a 0 496 499 495 0 245 8.332 34.880 116.499 1 ? -1.504e+04 1.25e+01 a 0 307 310 306 0 246 8.332 56.970 116.499 1 ? 1.544e+04 8.57e+00 a 0 307 308 306 0 249 8.215 63.460 116.472 1 ? 2.024e+04 1.92e+01 a 0 297 298 296 0 250 8.215 58.284 116.472 1 ? 3.036e+03 3.61e+00 a 0 297 288 296 0 254 7.471 40.474 115.800 1 ? -1.080e+04 9.28e+00 a 0 1303 1306 1302 0 256 7.473 37.564 115.800 1 ? -5.468e+03 3.80e+00 a 0 1303 1292 1302 0 258 8.547 58.045 115.107 1 ? 6.786e+03 9.92e+00 a 0 110 111 109 0 264 7.557 37.644 114.839 1 ? -3.454e+03 2.33e+00 a 0 468 471 467 0 265 8.165 66.673 114.650 1 ? -2.375e+04 2.11e+01 a 0 333 336 332 0 267 8.165 57.496 114.650 1 ? 1.781e+04 9.63e+00 a 0 333 334 332 0 269 8.761 69.338 114.386 1 ? -6.942e+03 7.28e+00 a 0 1108 1111 1107 0 272 8.764 59.670 114.386 1 ? 3.468e+03 5.15e+00 a 0 1108 1109 1107 0 273 7.043 56.970 114.048 1 ? 1.588e+04 1.49e+01 a 0 261 262 260 0 274 7.043 35.037 114.048 1 ? -1.373e+04 1.01e+01 a 0 261 264 260 0 276 7.043 29.873 114.048 1 ? -2.911e+03 4.57e+00 a 0 261 250 260 0 285 6.743 53.952 112.735 1 ? 1.057e+04 5.74e+00 a 0 1275 1276 1274 0 288 6.743 40.645 112.735 1 ? -2.587e+03 3.36e+00 a 0 1275 1268 1274 0 291 9.110 35.831 112.579 1 ? -4.500e+03 5.63e+00 a 0 657 660 656 0 292 9.110 60.075 112.579 1 ? 3.917e+03 4.23e+00 a 0 657 658 656 0 297 7.254 56.662 112.176 1 ? 1.923e+04 1.65e+01 a 0 807 808 806 0 298 7.254 67.009 112.176 1 ? -1.821e+04 1.20e+01 a 0 807 810 806 0 300 7.254 57.254 112.176 1 ? 5.071e+03 5.32e+00 a 0 807 780 806 0 301 8.877 45.549 111.571 1 ? 1.611e+04 1.43e+01 a 0 1349 1350 1348 0 302 8.880 40.946 111.571 1 ? -4.915e+03 5.80e+00 a 0 1349 1342 1348 0 304 8.879 56.940 111.571 1 ? 6.397e+03 3.58e+00 a 0 1349 1340 1348 0 312 8.670 45.388 108.442 1 ? 1.897e+04 9.00e+00 a 0 1730 1731 1729 0 313 8.670 57.531 108.442 1 ? 3.834e+03 2.94e+00 a 0 1730 1708 1729 0 314 8.670 41.225 108.442 1 ? -2.449e+03 2.84e+00 a 0 1730 1710 1729 0 318 7.487 59.549 107.995 1 ? 1.668e+04 1.53e+01 a 0 644 645 643 0 319 7.487 73.329 107.995 1 ? -1.367e+04 1.34e+01 a 0 644 647 643 0 321 7.487 38.680 107.995 1 ? -1.605e+03 4.92e+00 a 0 644 626 643 0 328 8.740 46.463 106.163 1 ? 1.088e+04 6.86e+00 a 0 438 439 437 0 330 9.473 37.345 124.445 1 ? -7.723e+03 1.27e+01 a 0 151 154 150 0 331 9.473 54.463 124.445 1 ? 1.722e+04 1.08e+01 a 0 151 134 150 0 335 8.071 54.863 119.496 1 ? 1.159e+04 8.89e+00 a 0 1550 1551 1549 0 339 8.006 20.503 119.671 1 ? -1.377e+04 8.86e+00 a 0 558 562 557 0 344 9.608 54.823 129.733 1 ? 1.007e+04 5.00e+00 a 0 1489 1490 1488 0 348 9.658 60.415 126.914 1 ? 1.201e+04 5.65e+00 a 0 854 855 853 0 349 9.658 64.011 126.914 1 ? 2.402e+03 3.63e+00 a 0 854 842 853 0 350 9.568 58.151 122.731 1 ? 8.174e+03 7.33e+00 a 0 1624 1625 1623 0 351 9.568 42.745 122.731 1 ? -1.174e+04 7.18e+00 a 0 1624 1604 1623 0 353 9.568 40.643 122.731 1 ? -9.223e+03 4.34e+00 a 0 1624 1627 1623 0 354 7.562 44.242 119.327 1 ? 6.865e+03 5.47e+00 a 0 0 0 0 0 355 7.562 27.693 119.327 1 ? -4.603e+03 4.71e+00 a 0 0 0 0 0 356 7.562 26.969 119.327 1 ? -4.691e+03 2.93e+00 a 0 0 0 0 0 359 7.688 32.782 118.238 1 ? -7.392e+03 8.82e+00 a 0 1239 1242 1238 0 360 7.688 32.196 118.238 1 ? -9.014e+03 5.95e+00 a 0 1239 1224 1238 0 370 7.361 28.783 117.644 1 ? -1.352e+04 7.45e+00 a 0 1538 1529 1537 0 373 7.495 29.326 116.818 1 ? -1.070e+04 6.28e+00 a 0 496 485 495 0 376 8.414 56.655 124.082 1 ? 1.587e+04 8.60e+00 a 0 584 585 583 0 377 8.414 63.104 124.082 1 ? 7.606e+03 7.18e+00 a 0 584 569 583 0 378 8.414 39.368 124.082 1 ? -1.330e+04 5.81e+00 a 0 584 587 583 0 379 8.414 34.534 124.082 1 ? -8.930e+03 4.95e+00 a 0 584 571 583 0 380 8.185 63.210 119.590 1 ? 1.353e+04 1.06e+01 a 0 623 624 622 0 381 8.185 32.262 119.590 1 ? -6.982e+03 1.03e+01 a 0 623 610 622 0 382 8.186 63.485 119.590 1 ? 1.169e+04 9.67e+00 a 0 623 608 622 0 383 8.185 38.583 119.590 1 ? -7.322e+03 6.57e+00 a 0 623 626 622 0 384 8.327 45.746 110.943 1 ? 9.338e+03 9.64e+00 a 0 53 54 52 0 392 6.987 26.152 117.027 1 ? -5.297e+03 5.91e+00 a 0 1576 1567 1575 0 393 6.987 44.198 117.027 1 ? 4.588e+03 3.37e+00 a 0 0 0 0 0 396 8.336 58.045 131.941 1 ? 9.485e+03 6.72e+00 a 0 379 380 378 0 403 8.479 52.361 128.686 1 ? 0.000e+00 0.00e+00 - 0 365 344 364 0 406 7.812 53.676 126.239 1 ? 0.000e+00 0.00e+00 - 0 1768 1755 1767 0 407 9.691 56.527 126.282 1 ? 0.000e+00 0.00e+00 - 0 817 808 816 0 409 9.272 45.943 124.151 1 ? 0.000e+00 0.00e+00 - 0 1427 1408 1426 0 413 8.263 53.026 119.739 1 ? 0.000e+00 0.00e+00 - 0 30 21 29 0 415 7.481 30.558 118.115 1 ? 0.000e+00 0.00e+00 - 0 1019 1008 1018 0 417 8.724 58.045 120.323 1 ? 0.000e+00 0.00e+00 - 0 133 111 132 0 419 8.163 34.880 114.650 1 ? 0.000e+00 0.00e+00 - 0 333 310 332 0 420 8.332 63.415 116.499 1 ? 0.000e+00 0.00e+00 - 0 307 298 306 0 421 8.044 57.496 120.455 1 ? 0.000e+00 0.00e+00 - 0 343 334 342 0 422 7.254 31.645 112.176 1 ? 0.000e+00 0.00e+00 - 0 807 782 806 0 423 7.043 59.717 114.048 1 ? 0.000e+00 0.00e+00 - 0 261 248 260 0 424 8.006 33.336 119.671 1 ? 0.000e+00 0.00e+00 - 0 558 545 557 0 426 7.487 63.294 107.995 1 ? 0.000e+00 0.00e+00 - 0 644 624 643 0 427 9.110 73.329 112.579 1 ? 0.000e+00 0.00e+00 - 0 657 647 656 0 429 9.009 59.590 122.237 1 ? 0.000e+00 0.00e+00 - 0 841 818 840 0 431 8.302 31.041 118.310 1 ? 0.000e+00 0.00e+00 - 0 74 63 73 0 432 7.363 28.987 117.399 1 ? 0.000e+00 0.00e+00 - 0 1184 1173 1183 0 434 8.557 32.853 119.629 1 ? 0.000e+00 0.00e+00 - 0 1265 1242 1264 0 435 7.446 38.651 119.463 1 ? 0.000e+00 0.00e+00 - 0 1221 1201 1220 0 436 7.688 66.556 118.238 1 ? 0.000e+00 0.00e+00 - 0 1239 1222 1238 0 437 8.702 54.355 121.592 1 ? 0.000e+00 0.00e+00 - 0 1339 1326 1338 0 440 8.691 58.100 120.671 1 ? 0.000e+00 0.00e+00 - 0 1405 1383 1404 0 443 8.691 42.034 120.671 1 ? 0.000e+00 0.00e+00 - 0 1405 1385 1404 0 444 8.842 33.092 122.140 1 ? 0.000e+00 0.00e+00 - 0 1063 1048 1062 0 445 9.426 30.009 117.460 1 ? 0.000e+00 0.00e+00 - 0 1170 1149 1169 0 446 9.429 59.721 117.460 1 ? 0.000e+00 0.00e+00 - 0 1170 1171 1169 0 447 7.363 59.721 117.399 1 ? 0.000e+00 0.00e+00 - 0 1184 1171 1183 0 448 7.363 56.771 117.399 1 ? 0.000e+00 0.00e+00 - 0 1184 1185 1183 0 449 7.363 38.047 117.399 1 ? 0.000e+00 0.00e+00 - 0 1184 1187 1183 0 451 8.005 35.027 113.516 1 ? 0.000e+00 0.00e+00 - 0 287 264 286 0 453 8.005 56.970 113.516 1 ? 0.000e+00 0.00e+00 - 0 287 262 286 0 454 7.555 41.430 114.839 1 ? 0.000e+00 0.00e+00 - 0 468 448 467 0 456 9.691 66.918 126.282 1 ? 0.000e+00 0.00e+00 - 0 817 810 816 0 457 7.573 45.295 117.251 1 ? 0.000e+00 0.00e+00 - 0 1356 1350 1355 0 458 8.770 60.153 124.663 1 ? 0.000e+00 0.00e+00 - 0 872 855 871 0 462 8.640 34.182 119.125 1 ? 0.000e+00 0.00e+00 - 0 92 77 91 0 463 8.547 54.355 115.107 1 ? 0.000e+00 0.00e+00 - 0 110 93 109 0 464 8.547 41.550 115.107 1 ? 0.000e+00 0.00e+00 - 0 110 113 109 0 465 8.547 34.665 115.107 1 ? 0.000e+00 0.00e+00 - 0 110 95 109 0 466 7.688 59.429 118.238 1 ? 0.000e+00 0.00e+00 - 0 1239 1240 1238 0 467 6.743 57.375 112.735 1 ? 0.000e+00 0.00e+00 - 0 1275 1266 1274 0 468 6.743 39.255 112.735 1 ? 0.000e+00 0.00e+00 - 0 1275 1278 1274 0 469 8.759 39.895 122.363 1 ? 0.000e+00 0.00e+00 - 0 193 196 192 0 470 8.759 59.956 122.363 1 ? 0.000e+00 0.00e+00 - 0 193 194 192 0 471 8.759 63.294 122.363 1 ? 0.000e+00 0.00e+00 - 0 193 178 192 0 472 7.264 59.359 130.229 1 ? 0.000e+00 0.00e+00 - 0 216 217 215 0 473 8.908 63.321 119.797 1 ? 0.000e+00 0.00e+00 - 0 247 238 246 0 474 8.005 58.284 113.516 1 ? 0.000e+00 0.00e+00 - 0 287 288 286 0 475 8.005 64.971 113.516 1 ? 0.000e+00 0.00e+00 - 0 287 290 286 0 476 8.165 56.970 114.650 1 ? 0.000e+00 0.00e+00 - 0 333 308 332 0 477 8.044 66.673 120.455 1 ? 0.000e+00 0.00e+00 - 0 343 336 342 0 482 8.336 37.269 131.941 1 ? 0.000e+00 0.00e+00 - 0 379 382 378 0 483 8.336 31.059 131.941 1 ? 0.000e+00 0.00e+00 - 0 379 368 378 0 484 8.740 58.100 106.163 1 ? 0.000e+00 0.00e+00 - 0 438 417 437 0 485 7.555 59.187 114.839 1 ? 0.000e+00 0.00e+00 - 0 468 446 467 0 486 7.555 56.167 114.839 1 ? 0.000e+00 0.00e+00 - 0 468 469 467 0 487 7.160 57.498 118.422 1 ? 0.000e+00 0.00e+00 - 0 519 520 518 0 488 8.006 49.329 119.671 1 ? 0.000e+00 0.00e+00 - 0 558 559 557 0 489 8.006 63.294 119.671 1 ? 0.000e+00 0.00e+00 - 0 558 543 557 0 490 9.110 59.549 112.579 1 ? 0.000e+00 0.00e+00 - 0 657 645 656 0 491 8.919 36.114 120.234 1 ? 0.000e+00 0.00e+00 - 0 675 660 674 0 492 8.919 43.135 120.234 1 ? 0.000e+00 0.00e+00 - 0 675 678 674 0 493 8.919 60.075 120.234 1 ? 0.000e+00 0.00e+00 - 0 675 658 674 0 494 9.296 54.234 124.500 1 ? 0.000e+00 0.00e+00 - 0 707 686 706 0 495 9.296 53.993 124.500 1 ? 0.000e+00 0.00e+00 - 0 707 708 706 0 496 8.007 54.234 117.731 1 ? 0.000e+00 0.00e+00 - 0 729 730 728 0 497 8.035 43.725 126.410 1 ? 0.000e+00 0.00e+00 - 0 1512 1492 1511 0 498 8.035 53.339 126.410 1 ? 0.000e+00 0.00e+00 - 0 1512 1513 1511 0 499 7.978 70.344 112.347 1 ? 0.000e+00 0.00e+00 - 0 40 43 39 0 503 8.203 57.209 120.957 1 ? 0.000e+00 0.00e+00 - 0 0 0 0 0 505 9.658 35.511 126.914 1 ? 0.000e+00 0.00e+00 - 0 854 857 853 0 506 8.767 32.128 124.663 1 ? 0.000e+00 0.00e+00 - 0 872 875 871 0 507 9.231 55.442 124.620 1 ? 0.000e+00 0.00e+00 - 0 918 901 917 0 508 9.231 37.806 124.620 1 ? 0.000e+00 0.00e+00 - 0 918 921 917 0 509 8.714 55.080 126.153 1 ? 0.000e+00 0.00e+00 - 0 944 919 943 0 510 9.241 34.182 127.850 1 ? 0.000e+00 0.00e+00 - 0 970 947 969 0 511 9.241 55.925 127.850 1 ? 0.000e+00 0.00e+00 - 0 970 971 969 0 513 9.122 56.922 126.208 1 ? 0.000e+00 0.00e+00 - 0 1005 1006 1004 0 514 7.481 36.664 118.115 1 ? 0.000e+00 0.00e+00 - 0 1019 1022 1018 0 515 9.374 56.288 123.680 1 ? 0.000e+00 0.00e+00 - 0 1045 1020 1044 0 516 9.374 36.664 123.680 1 ? 0.000e+00 0.00e+00 - 0 1045 1022 1044 0 517 9.374 33.092 123.680 1 ? 0.000e+00 0.00e+00 - 0 1045 1048 1044 0 518 8.834 54.959 126.581 1 ? 0.000e+00 0.00e+00 - 0 1445 1428 1444 0 519 7.446 66.676 119.463 1 ? 0.000e+00 0.00e+00 - 0 1221 1222 1220 0 520 7.685 39.255 118.100 1 ? 0.000e+00 0.00e+00 - 0 1289 1278 1288 0 521 7.685 53.993 118.100 1 ? 0.000e+00 0.00e+00 - 0 1289 1276 1288 0 522 7.685 37.564 118.100 1 ? 0.000e+00 0.00e+00 - 0 1289 1292 1288 0 523 7.685 54.838 118.100 1 ? 0.000e+00 0.00e+00 - 0 1289 1290 1288 0 524 7.473 54.717 115.800 1 ? 0.000e+00 0.00e+00 - 0 1303 1290 1302 0 525 7.473 57.013 115.800 1 ? 0.000e+00 0.00e+00 - 0 1303 1304 1302 0 526 6.439 57.013 117.255 1 ? 0.000e+00 0.00e+00 - 0 1325 1304 1324 0 527 6.439 40.826 117.255 1 ? 0.000e+00 0.00e+00 - 0 1325 1306 1324 0 528 8.702 40.826 121.592 1 ? 0.000e+00 0.00e+00 - 0 1339 1342 1338 0 529 8.703 56.940 121.592 1 ? 0.000e+00 0.00e+00 - 0 1339 1340 1338 0 532 8.489 63.896 118.701 1 ? 0.000e+00 0.00e+00 - 0 1588 1589 1587 0 533 9.504 63.896 124.460 1 ? 0.000e+00 0.00e+00 - 0 1601 1589 1600 0 534 9.504 71.267 124.460 1 ? 0.000e+00 0.00e+00 - 0 1601 1591 1600 0 535 9.568 56.358 122.731 1 ? 0.000e+00 0.00e+00 - 0 1624 1602 1623 0 536 8.576 58.105 122.035 1 ? 0.000e+00 0.00e+00 - 0 1647 1625 1646 0 537 8.576 60.885 122.035 1 ? 0.000e+00 0.00e+00 - 0 1647 1648 1646 0 538 9.017 60.885 128.384 1 ? 0.000e+00 0.00e+00 - 0 1665 1648 1664 0 540 9.017 40.981 128.384 1 ? 0.000e+00 0.00e+00 - 0 1665 1668 1664 0 541 8.266 40.981 126.760 1 ? 0.000e+00 0.00e+00 - 0 1686 1668 1685 0 542 8.266 61.423 126.760 1 ? 0.000e+00 0.00e+00 - 0 1686 1687 1685 0 543 9.362 61.423 127.281 1 ? 0.000e+00 0.00e+00 - 0 1707 1687 1706 0 544 9.362 39.457 127.281 1 ? 0.000e+00 0.00e+00 - 0 1707 1689 1706 0 546 8.200 57.568 120.178 1 ? 0.000e+00 0.00e+00 - 0 60 61 59 0 547 8.835 32.643 126.582 1 ? 0.000e+00 0.00e+00 - 0 1445 1430 1444 0 549 9.272 54.968 124.151 1 ? 0.000e+00 0.00e+00 - 0 1427 1428 1426 0 550 8.834 56.850 126.581 1 ? 0.000e+00 0.00e+00 - 0 1445 1446 1444 0 551 8.834 41.340 126.581 1 ? 0.000e+00 0.00e+00 - 0 1445 1448 1444 0 552 9.625 40.129 122.650 1 ? 0.000e+00 0.00e+00 - 0 1468 1471 1467 0 554 9.268 55.505 122.018 1 ? 0.000e+00 0.00e+00 - 0 1560 1561 1559 0 555 7.460 56.223 116.815 1 ? 0.000e+00 0.00e+00 - 0 482 469 481 0 556 7.460 37.644 116.815 1 ? 0.000e+00 0.00e+00 - 0 482 471 481 0 558 7.460 57.969 116.815 1 ? 0.000e+00 0.00e+00 - 0 482 483 481 0 560 8.659 45.823 121.442 1 ? 0.000e+00 0.00e+00 - 0 0 0 0 0 561 8.659 30.223 121.442 1 ? 0.000e+00 0.00e+00 - 0 0 0 0 0 562 8.659 57.926 121.442 1 ? 0.000e+00 0.00e+00 - 0 0 0 0 0 569 8.070 40.729 119.496 1 ? 0.000e+00 0.00e+00 - 0 1550 1553 1549 0 570 8.070 26.596 119.496 1 ? 0.000e+00 0.00e+00 - 0 1550 1525 1549 0 575 8.327 70.344 110.943 1 ? 0.000e+00 0.00e+00 - 0 53 43 52 0 576 8.327 61.965 110.943 1 ? 0.000e+00 0.00e+00 - 0 53 41 52 0 579 9.473 36.114 124.445 1 ? 0.000e+00 0.00e+00 - 0 151 136 150 0 580 9.473 53.993 124.445 1 ? 0.000e+00 0.00e+00 - 0 151 152 150 0 581 8.336 55.896 131.941 1 ? 0.000e+00 0.00e+00 - 0 379 366 378 0 583 8.908 43.597 120.671 1 ? 0.000e+00 0.00e+00 - 0 1086 1066 1085 0 584 8.908 55.970 120.671 1 ? 0.000e+00 0.00e+00 - 0 1086 1064 1085 0 585 8.761 40.642 114.386 1 ? 0.000e+00 0.00e+00 - 0 1108 1089 1107 0 586 8.761 54.476 114.386 1 ? 0.000e+00 0.00e+00 - 0 1108 1087 1107 0 587 8.908 54.476 120.671 1 ? 0.000e+00 0.00e+00 - 0 1086 1087 1085 0 588 8.908 40.642 120.671 1 ? 0.000e+00 0.00e+00 - 0 1086 1089 1085 0 593 8.691 45.901 120.671 1 ? 0.000e+00 0.00e+00 - 0 1405 1408 1404 0 594 8.691 54.206 120.671 1 ? 0.000e+00 0.00e+00 - 0 1405 1406 1404 0 597 7.978 62.105 112.347 1 ? 0.000e+00 0.00e+00 - 0 40 0 39 0 598 7.978 55.060 112.347 1 ? 0.000e+00 0.00e+00 - 0 40 0 39 0 599 7.978 41.448 112.347 1 ? 0.000e+00 0.00e+00 - 0 40 0 39 0 600 8.855 66.404 125.297 1 ? 0.000e+00 0.00e+00 - 0 1121 1122 1120 0 601 7.353 43.765 117.586 1 ? 0.000e+00 0.00e+00 - 0 0 0 0 0 602 8.054 45.935 123.102 1 ? 0.000e+00 0.00e+00 - 0 779 773 778 0 603 8.054 31.921 123.102 1 ? 0.000e+00 0.00e+00 - 0 779 782 778 0 606 9.122 47.313 126.208 1 ? 0.000e+00 0.00e+00 - 0 1005 999 1004 0 607 9.122 30.717 126.208 1 ? 0.000e+00 0.00e+00 - 0 1005 1008 1004 0 610 7.775 60.163 123.498 1 ? 0.000e+00 0.00e+00 - 0 0 0 0 0 611 8.055 57.866 129.667 1 ? 0.000e+00 0.00e+00 - 0 0 0 0 0 612 8.215 61.834 116.472 1 ? 0.000e+00 0.00e+00 - 0 297 300 296 0 613 10.109 62.052 128.892 1 ? 0.000e+00 0.00e+00 - 0 237 240 236 0 614 8.855 32.355 125.297 1 ? 0.000e+00 0.00e+00 - 0 1121 1124 1120 0 615 9.608 43.710 129.733 1 ? 0.000e+00 0.00e+00 - 0 1489 1492 1488 0 616 8.071 59.977 119.496 1 ? 0.000e+00 0.00e+00 - 0 1550 1523 1549 0 617 9.268 30.717 122.018 1 ? 0.000e+00 0.00e+00 - 0 1560 1563 1559 0 618 8.489 30.717 118.701 1 ? 0.000e+00 0.00e+00 - 0 1588 1563 1587 0 619 8.303 33.010 124.608 1 ? 0.000e+00 0.00e+00 - 0 20 5 19 0 620 8.303 56.265 124.608 1 ? 0.000e+00 0.00e+00 - 0 20 3 19 0