# Number of dimensions 3 #INAME 1 1H #INAME 2 13C #INAME 3 15N 6 8.733 37.198 131.587 1 ? 1.763e+04 8.69e+00 a 0 295 277 294 0 7 8.733 16.498 131.587 1 ? 1.815e+04 7.18e+00 a 0 295 280 294 0 9 8.736 27.248 131.587 1 ? 1.502e+04 5.73e+00 a 0 295 284 294 0 10 8.731 12.331 131.587 1 ? 1.603e+04 5.18e+00 a 0 295 289 294 0 11 8.944 22.313 131.434 1 ? 3.144e+04 1.14e+01 a 0 274 267 273 0 12 8.944 62.436 131.434 1 ? 3.249e+04 1.06e+01 a 0 274 257 273 0 14 8.944 32.661 131.434 1 ? 3.699e+04 7.13e+00 a 0 274 259 273 0 19 8.545 41.811 129.042 1 ? 7.038e+04 1.42e+01 a 0 1233 1222 1232 0 23 8.545 55.336 129.042 1 ? 3.316e+04 6.13e+00 a 0 1233 1208 1232 0 32 9.169 62.456 128.981 1 ? 2.692e+04 3.91e+00 a 0 1790 1773 1789 0 33 7.454 22.953 128.907 1 ? 5.604e+04 1.28e+01 a 0 2060 2053 2059 0 35 7.454 26.165 128.907 1 ? 1.290e+05 9.02e+00 a 0 2060 2045 2059 0 36 7.450 43.184 128.907 1 ? 1.058e+05 8.47e+00 a 0 2060 2041 2059 0 40 9.396 38.615 128.885 1 ? 2.272e+04 5.59e+00 a 0 1714 1696 1713 0 41 9.396 62.556 128.885 1 ? 2.584e+04 5.10e+00 a 0 1714 1694 1713 0 42 9.396 13.943 128.885 1 ? 2.233e+04 4.31e+00 a 0 1714 1708 1713 0 43 9.396 18.168 128.885 1 ? 2.095e+04 4.02e+00 a 0 1714 1699 1713 0 45 8.138 61.903 128.359 1 ? 5.041e+04 7.68e+00 a 0 1140 1123 1139 0 48 8.138 34.188 128.359 1 ? 3.946e+04 5.79e+00 a 0 1140 1125 1139 0 50 9.036 56.638 128.284 1 ? 3.970e+04 7.51e+00 a 0 635 614 634 0 51 9.038 26.599 128.284 1 ? 4.618e+04 6.38e+00 a 0 635 620 634 0 53 9.036 42.165 128.284 1 ? 1.895e+04 5.69e+00 a 0 635 616 634 0 55 8.906 62.502 128.256 1 ? 5.427e+04 1.12e+01 a 0 613 601 612 0 58 8.906 21.151 128.256 1 ? 1.589e+04 8.54e+00 a 0 613 607 612 0 64 10.125 58.086 128.111 1 ? 1.733e+04 3.57e+00 a 0 1646 1621 1645 0 65 9.374 23.449 127.714 1 ? 2.618e+04 1.30e+01 a 0 1162 1155 1161 0 67 9.369 27.248 127.714 1 ? 5.791e+04 1.06e+01 a 0 1162 1147 1161 0 68 9.367 44.110 127.714 1 ? 1.358e+04 6.12e+00 a 0 1162 1143 1161 0 69 9.369 54.178 127.714 1 ? 4.247e+04 5.95e+00 a 0 1162 1141 1161 0 71 8.634 34.664 127.524 1 ? 2.419e+04 5.37e+00 a 0 1459 1441 1458 0 72 8.634 17.895 127.524 1 ? 2.538e+04 4.98e+00 a 0 1459 1444 1458 0 74 8.624 26.043 127.524 1 ? 1.390e+04 2.99e+00 a 0 1459 1448 1458 0 75 7.414 60.325 127.258 1 ? 2.822e+04 1.12e+01 a 0 894 874 893 0 76 7.414 31.788 127.258 1 ? 1.153e+04 7.43e+00 a 0 894 883 893 0 77 7.415 14.691 127.258 1 ? 4.598e+04 6.67e+00 a 0 894 888 893 0 78 7.414 18.168 127.258 1 ? 1.893e+04 5.40e+00 a 0 894 879 893 0 79 7.415 41.610 127.258 1 ? 3.297e+04 5.30e+00 a 0 894 876 893 0 85 9.174 21.683 126.021 1 ? 5.268e+04 9.62e+00 a 0 671 660 670 0 86 9.174 20.463 126.021 1 ? 4.158e+04 6.92e+00 a 0 671 664 670 0 87 9.174 32.663 126.021 1 ? 3.405e+04 6.45e+00 a 0 671 656 670 0 90 8.750 51.490 125.863 1 ? 7.572e+04 1.72e+01 a 0 699 690 698 0 96 7.586 51.482 125.855 1 ? 2.989e+04 7.46e+00 a 0 1825 1816 1824 0 98 9.684 56.548 125.780 1 ? 6.605e+04 1.39e+01 a 0 1598 1576 1597 0 100 9.684 40.311 125.780 1 ? 4.198e+04 5.84e+00 a 0 1598 1578 1597 0 102 9.579 42.388 125.619 1 ? 8.895e+04 1.27e+01 a 0 1772 1761 1771 0 104 9.579 37.164 125.619 1 ? 4.682e+04 7.36e+00 a 0 1772 1749 1771 0 105 9.579 25.543 125.619 1 ? 4.094e+04 6.43e+00 a 0 1772 1753 1771 0 106 9.579 56.670 125.619 1 ? 3.170e+04 5.26e+00 a 0 1772 1747 1771 0 110 9.877 21.463 125.561 1 ? 2.969e+04 4.07e+00 a 0 1534 1528 1533 0 114 8.404 56.745 125.357 1 ? 2.005e+05 8.92e+00 a 0 183 166 182 0 118 7.996 53.415 124.733 1 ? 1.472e+05 2.53e+01 a 0 1122 1109 1121 0 123 8.336 61.630 124.353 1 ? 6.099e+04 1.16e+01 a 0 1394 1385 1393 0 125 8.336 2.841 124.353 1 ? 8.270e+03 2.20e+00 a 0 0 0 0 0 126 8.513 29.564 124.286 1 ? 3.361e+04 1.33e+01 a 0 1851 1836 1850 0 127 8.507 42.920 124.286 1 ? 5.296e+04 1.16e+01 a 0 1851 1840 1850 0 128 8.510 55.136 124.286 1 ? 3.642e+04 6.77e+00 a 0 1851 1826 1850 0 129 8.507 24.917 124.286 1 ? 3.099e+04 5.57e+00 a 0 1851 1832 1850 0 130 8.507 33.401 124.286 1 ? 2.565e+04 4.89e+00 a 0 1851 1828 1850 0 135 8.395 55.971 124.315 1 ? 1.587e+05 1.07e+01 a 0 0 0 0 0 136 8.403 53.839 123.878 1 ? 3.740e+04 8.07e+00 a 0 1575 1558 1574 0 137 8.411 32.668 123.878 1 ? 9.103e+04 7.00e+00 a 0 1575 1564 1574 0 143 6.589 61.496 123.852 1 ? 6.003e+04 9.70e+00 a 0 1356 1349 1355 0 147 9.339 55.524 123.761 1 ? 4.782e+04 9.22e+00 a 0 1557 1535 1556 0 151 8.787 21.725 123.652 1 ? 5.465e+04 1.08e+01 a 0 689 678 688 0 153 8.787 60.600 123.652 1 ? 3.631e+04 6.85e+00 a 0 689 672 688 0 157 9.235 58.713 123.368 1 ? 3.297e+04 7.05e+00 a 0 345 333 344 0 160 9.235 21.541 123.368 1 ? 2.080e+04 3.71e+00 a 0 345 339 344 0 162 7.754 67.117 123.329 1 ? 6.374e+04 1.08e+01 a 0 390 380 389 0 167 8.417 37.318 122.945 1 ? 9.702e+04 1.16e+01 a 0 1901 1894 1900 0 171 7.735 30.861 122.944 1 ? 7.368e+04 2.41e+01 a 0 1477 1462 1476 0 172 7.730 34.066 122.944 1 ? 1.580e+05 1.98e+01 a 0 1477 1466 1476 0 175 7.730 56.341 122.944 1 ? 7.979e+04 1.24e+01 a 0 1477 1460 1476 0 177 8.341 58.862 122.569 1 ? 2.354e+05 1.73e+01 a 0 203 194 202 0 182 8.507 55.634 122.369 1 ? 7.117e+04 2.34e+01 a 0 0 0 0 0 184 8.509 42.350 122.369 1 ? 5.886e+04 1.58e+01 a 0 0 0 0 0 185 8.507 24.504 122.369 1 ? 7.573e+04 1.35e+01 a 0 0 0 0 0 186 8.774 43.553 122.287 1 ? 5.672e+04 1.24e+01 a 0 1815 1809 1814 0 190 8.642 42.496 122.169 1 ? 1.086e+05 1.49e+01 a 0 1693 1682 1692 0 191 8.647 29.286 122.169 1 ? 3.117e+04 1.02e+01 a 0 1693 1678 1692 0 192 8.647 34.567 122.169 1 ? 2.876e+04 9.08e+00 a 0 1693 1670 1692 0 193 8.642 54.858 122.169 1 ? 4.735e+04 7.75e+00 a 0 1693 1668 1692 0 194 8.642 25.007 122.169 1 ? 5.576e+04 6.19e+00 a 0 1693 1674 1692 0 195 8.183 57.328 122.074 1 ? 9.726e+04 1.21e+01 a 0 1887 1878 1886 0 197 8.183 39.711 122.074 1 ? 7.628e+04 7.43e+00 a 0 1887 1880 1886 0 209 7.320 40.404 121.858 1 ? 3.171e+04 6.27e+00 a 0 1320 1301 1319 0 211 8.023 56.551 121.825 1 ? 7.107e+04 1.57e+01 a 0 1284 1275 1283 0 218 7.831 57.457 121.822 1 ? 1.564e+04 7.96e+00 a 0 1428 1405 1427 0 224 8.085 25.234 121.709 1 ? 3.730e+04 4.28e+00 a 0 526 507 525 0 228 7.471 31.622 121.578 1 ? 6.945e+04 8.24e+00 a 0 2038 2024 2037 0 232 7.909 67.459 121.403 1 ? 3.140e+04 3.13e+00 a 0 1964 1952 1963 0 240 8.299 56.125 121.116 1 ? 9.228e+04 9.65e+00 a 0 428 415 427 0 245 7.925 51.430 121.111 1 ? 2.795e+04 8.95e+00 a 0 305 296 304 0 246 7.924 19.105 121.111 1 ? 1.499e+05 8.95e+00 a 0 305 299 304 0 256 8.193 56.702 121.154 1 ? 1.022e+05 1.06e+01 a 0 217 204 216 0 259 7.874 54.657 121.064 1 ? 4.310e+04 1.55e+01 a 0 976 967 975 0 261 7.875 17.797 121.064 1 ? 5.033e+04 7.15e+00 a 0 976 970 975 0 265 7.591 57.465 121.088 1 ? 9.119e+04 1.29e+01 a 0 986 977 985 0 273 7.770 45.758 121.006 1 ? 9.758e+04 1.97e+01 a 0 1667 1661 1666 0 276 9.110 28.319 120.851 1 ? 3.947e+04 8.78e+00 a 0 315 308 314 0 280 8.948 56.666 120.725 1 ? 7.177e+04 1.54e+01 a 0 1185 1163 1184 0 288 7.956 59.491 120.690 1 ? 5.878e+04 8.80e+00 a 0 500 483 499 0 290 8.359 18.504 120.600 1 ? 7.738e+04 1.77e+01 a 0 536 530 535 0 295 8.788 66.352 120.386 1 ? 4.654e+04 9.29e+00 a 0 363 346 362 0 297 8.788 31.948 120.386 1 ? 4.134e+04 6.07e+00 a 0 363 348 362 0 299 8.788 22.398 120.386 1 ? 2.136e+04 4.88e+00 a 0 363 356 362 0 306 7.354 29.564 120.021 1 ? 3.892e+04 1.02e+01 a 0 1070 1055 1069 0 307 7.351 57.865 120.021 1 ? 5.232e+04 7.79e+00 a 0 1070 1045 1069 0 308 7.351 25.657 120.021 1 ? 5.038e+04 6.24e+00 a 0 1070 1051 1069 0 309 7.351 33.801 120.021 1 ? 4.719e+04 5.49e+00 a 0 1070 1047 1069 0 317 8.065 58.286 119.796 1 ? 2.138e+04 6.37e+00 a 0 482 461 481 0 318 8.072 27.155 119.796 1 ? 3.202e+04 6.24e+00 a 0 482 467 481 0 319 8.067 41.053 119.796 1 ? 2.277e+04 4.75e+00 a 0 482 463 481 0 322 7.265 29.008 119.749 1 ? 1.860e+04 4.64e+00 a 0 920 911 919 0 326 7.749 56.498 119.465 1 ? 9.870e+04 1.99e+01 a 0 550 537 549 0 328 7.744 38.181 119.465 1 ? 6.409e+04 1.10e+01 a 0 550 539 549 0 334 8.529 68.385 119.404 1 ? 1.936e+04 3.62e+00 a 0 1274 1264 1273 0 335 9.279 52.627 119.177 1 ? 5.313e+04 1.25e+01 a 0 1261 1252 1260 0 339 7.867 58.493 118.807 1 ? 6.326e+04 1.05e+01 a 0 460 443 459 0 340 7.851 43.594 118.807 1 ? 3.836e+04 5.56e+00 a 0 850 833 849 0 347 7.867 33.781 118.806 1 ? 6.472e+04 4.66e+00 a 0 460 449 459 0 353 7.927 52.850 118.789 1 ? 2.411e+04 4.80e+00 a 0 1438 1429 1437 0 354 7.427 66.948 118.791 1 ? 4.277e+04 6.64e+00 a 0 1985 1965 1984 0 355 7.427 38.691 118.791 1 ? 3.134e+04 6.45e+00 a 0 1985 1967 1984 0 356 7.427 17.563 118.791 1 ? 3.620e+04 5.52e+00 a 0 1985 1970 1984 0 357 7.427 16.057 118.791 1 ? 3.095e+04 5.45e+00 a 0 1985 1979 1984 0 366 8.305 59.861 118.644 1 ? 7.773e+04 9.53e+00 a 0 442 429 441 0 369 6.461 57.909 118.631 1 ? 5.404e+04 9.40e+00 a 0 1008 987 1007 0 370 6.461 41.803 118.631 1 ? 3.525e+04 6.81e+00 a 0 1008 989 1007 0 371 6.461 26.214 118.631 1 ? 5.592e+04 6.49e+00 a 0 1008 993 1007 0 372 6.461 22.995 118.631 1 ? 5.008e+04 6.32e+00 a 0 1008 1001 1007 0 375 8.992 54.132 118.273 1 ? 1.059e+05 1.85e+01 a 0 1746 1737 1745 0 378 8.992 47.185 118.273 1 ? 1.525e+04 3.03e+00 a 0 1746 1739 1745 0 385 7.691 57.536 118.045 1 ? 6.273e+04 1.57e+01 a 0 1404 1395 1403 0 390 8.435 25.562 117.719 1 ? 3.275e+04 6.23e+00 a 0 1877 1858 1876 0 391 8.435 32.778 117.719 1 ? 4.178e+04 5.72e+00 a 0 1877 1854 1876 0 392 8.435 41.565 117.719 1 ? 3.533e+04 5.35e+00 a 0 1877 1866 1876 0 395 7.883 59.054 117.685 1 ? 7.804e+04 1.32e+01 a 0 574 565 573 0 401 7.279 29.540 117.349 1 ? 2.156e+04 5.01e+00 a 0 1044 1029 1043 0 408 8.473 58.710 117.308 1 ? 3.821e+04 9.54e+00 a 0 722 700 721 0 414 7.733 39.940 117.282 1 ? 4.409e+04 1.01e+01 a 0 966 946 965 0 423 6.627 61.848 116.695 1 ? 4.125e+04 1.06e+01 a 0 755 746 754 0 430 7.514 55.388 116.614 1 ? 5.161e+04 1.01e+01 a 0 1995 1986 1994 0 433 8.136 37.818 116.542 1 ? 7.598e+04 2.13e+01 a 0 377 370 376 0 441 7.793 55.257 116.357 1 ? 5.288e+04 7.88e+00 a 0 1736 1715 1735 0 443 7.700 45.625 115.929 1 ? 9.502e+04 2.89e+01 a 0 238 232 237 0 450 8.816 60.632 115.439 1 ? 1.773e+04 8.56e+00 a 0 414 391 413 0 455 8.035 50.236 115.305 1 ? 1.084e+04 2.35e+00 a 0 1521 1505 1520 0 461 7.604 39.288 115.189 1 ? 7.993e+04 1.58e+01 a 0 873 853 872 0 470 8.607 62.888 115.099 1 ? 2.964e+04 2.38e+00 a 0 1808 1791 1807 0 472 6.904 18.472 115.092 1 ? 1.003e+05 1.70e+01 a 0 1018 1012 1017 0 473 6.904 54.063 115.092 1 ? 3.743e+04 8.51e+00 a 0 1018 1009 1017 0 476 8.850 64.478 114.646 1 ? 5.055e+04 7.05e+00 a 0 1108 1093 1107 0 477 8.850 32.088 114.646 1 ? 4.286e+04 6.52e+00 a 0 1108 1095 1107 0 480 8.850 50.906 114.646 1 ? 2.149e+04 4.72e+00 a 0 1108 1092 1107 0 484 8.270 53.429 114.687 1 ? 1.060e+05 1.29e+01 a 0 193 184 192 0 487 7.742 57.905 114.652 1 ? 2.835e+04 1.06e+01 a 0 600 575 599 0 490 7.742 42.497 114.652 1 ? 6.509e+04 7.47e+00 a 0 600 589 599 0 493 8.658 29.622 114.451 1 ? 3.567e+04 5.04e+00 a 0 1346 1331 1345 0 494 8.658 60.017 114.451 1 ? 4.617e+04 4.37e+00 a 0 1346 1321 1345 0 498 7.220 24.187 114.405 1 ? 4.444e+04 6.99e+00 a 0 2021 2002 2020 0 499 7.220 58.679 114.405 1 ? 5.302e+04 6.80e+00 a 0 2021 1996 2020 0 514 7.931 36.552 112.148 1 ? 1.332e+05 1.55e+01 a 0 564 557 563 0 516 7.931 58.994 112.148 1 ? 7.339e+04 7.95e+00 a 0 564 551 563 0 532 8.053 55.428 111.572 1 ? 4.709e+04 7.92e+00 a 0 1384 1375 1383 0 538 8.695 36.538 111.014 1 ? 9.339e+04 1.87e+01 a 0 231 224 230 0 540 8.695 56.076 111.014 1 ? 3.713e+04 9.23e+00 a 0 231 218 230 0 543 8.096 65.633 110.964 1 ? 2.588e+04 9.04e+00 a 0 812 797 811 0 555 7.344 29.666 104.696 1 ? 5.116e+04 1.13e+01 a 0 332 318 331 0 562 8.909 58.001 104.391 1 ? 2.936e+04 6.92e+00 a 0 1660 1647 1659 0 566 9.117 61.900 128.891 1 ? 0.000e+00 0.00e+00 - 0 1251 1234 1250 0 569 8.750 38.459 125.863 1 ? 0.000e+00 0.00e+00 - 0 699 692 698 0 570 8.404 29.749 125.357 1 ? 0.000e+00 0.00e+00 - 0 183 168 182 0 578 7.793 43.277 116.357 1 ? 0.000e+00 0.00e+00 - 0 1736 1717 1735 0 582 7.220 32.621 114.405 1 ? 0.000e+00 0.00e+00 - 0 2021 1998 2020 0 583 7.931 29.379 112.148 1 ? 0.000e+00 0.00e+00 - 0 564 553 563 0 584 8.695 30.954 111.014 1 ? 0.000e+00 0.00e+00 - 0 231 220 230 0 585 8.096 28.730 110.964 1 ? 0.000e+00 0.00e+00 - 0 812 803 811 0 586 8.404 36.103 125.357 1 ? 0.000e+00 0.00e+00 - 0 183 172 182 0 587 8.341 64.276 122.569 1 ? 0.000e+00 0.00e+00 - 0 203 196 202 0 588 8.270 19.220 114.687 1 ? 0.000e+00 0.00e+00 - 0 193 187 192 0 589 8.193 36.314 121.154 1 ? 0.000e+00 0.00e+00 - 0 217 210 216 0 590 8.193 30.405 121.154 1 ? 0.000e+00 0.00e+00 - 0 217 206 216 0 591 8.944 22.913 131.434 1 ? 0.000e+00 0.00e+00 - 0 274 263 273 0 593 8.303 54.357 122.725 1 ? 0.000e+00 0.00e+00 - 0 256 239 255 0 594 8.733 60.688 131.587 1 ? 0.000e+00 0.00e+00 - 0 295 275 294 0 595 8.303 33.359 122.725 1 ? 0.000e+00 0.00e+00 - 0 256 245 255 0 596 8.303 31.354 122.725 1 ? 0.000e+00 0.00e+00 - 0 256 241 255 0 597 9.110 57.523 120.851 1 ? 0.000e+00 0.00e+00 - 0 315 306 314 0 598 7.344 56.995 104.696 1 ? 0.000e+00 0.00e+00 - 0 332 316 331 0 599 7.956 33.148 120.690 1 ? 0.000e+00 0.00e+00 - 0 500 485 499 0 600 7.956 33.992 120.690 1 ? 0.000e+00 0.00e+00 - 0 500 489 499 0 601 8.072 23.440 119.796 1 ? 0.000e+00 0.00e+00 - 0 482 471 481 0 602 8.072 22.280 119.796 1 ? 0.000e+00 0.00e+00 - 0 482 475 481 0 603 7.867 27.767 118.806 1 ? 0.000e+00 0.00e+00 - 0 460 445 459 0 605 8.816 30.405 115.439 1 ? 0.000e+00 0.00e+00 - 0 414 393 413 0 606 7.754 23.018 123.329 1 ? 0.000e+00 0.00e+00 - 0 390 384 389 0 607 8.136 61.321 116.542 1 ? 0.000e+00 0.00e+00 - 0 377 364 376 0 608 8.136 37.158 116.542 1 ? 0.000e+00 0.00e+00 - 0 377 366 376 0 609 8.788 22.807 120.386 1 ? 0.000e+00 0.00e+00 - 0 363 352 362 0 610 8.299 38.107 121.116 1 ? 0.000e+00 0.00e+00 - 0 428 417 427 0 611 8.305 36.736 118.644 1 ? 0.000e+00 0.00e+00 - 0 442 435 441 0 612 8.305 35.892 118.644 1 ? 0.000e+00 0.00e+00 - 0 442 431 441 0 613 8.085 30.510 121.709 1 ? 0.000e+00 0.00e+00 - 0 526 511 525 0 614 8.085 32.093 121.709 1 ? 0.000e+00 0.00e+00 - 0 526 503 525 0 615 8.085 42.012 121.709 1 ? 0.000e+00 0.00e+00 - 0 526 515 525 0 616 8.085 59.422 121.709 1 ? 0.000e+00 0.00e+00 - 0 526 501 525 0 617 8.359 54.568 120.600 1 ? 0.000e+00 0.00e+00 - 0 536 537 535 0 618 7.742 30.194 114.652 1 ? 0.000e+00 0.00e+00 - 0 600 577 599 0 619 7.742 29.349 114.652 1 ? 0.000e+00 0.00e+00 - 0 600 585 599 0 620 8.950 34.309 126.466 1 ? 0.000e+00 0.00e+00 - 0 653 638 652 0 623 9.038 23.863 128.284 1 ? 0.000e+00 0.00e+00 - 0 635 628 634 0 624 9.038 25.023 128.284 1 ? 0.000e+00 0.00e+00 - 0 635 624 634 0 625 8.950 60.372 126.466 1 ? 0.000e+00 0.00e+00 - 0 653 636 652 0 626 8.950 22.385 126.466 1 ? 0.000e+00 0.00e+00 - 0 653 660 652 0 627 8.950 21.647 126.466 1 ? 0.000e+00 0.00e+00 - 0 653 646 652 0 628 9.174 60.688 126.021 1 ? 0.000e+00 0.00e+00 - 0 671 654 670 0 629 8.787 34.520 123.652 1 ? 0.000e+00 0.00e+00 - 0 689 674 688 0 630 8.787 21.119 123.652 1 ? 0.000e+00 0.00e+00 - 0 689 682 688 0 632 6.996 18.270 121.083 1 ? 0.000e+00 0.00e+00 - 0 735 729 734 0 633 6.996 58.578 121.083 1 ? 0.000e+00 0.00e+00 - 0 735 723 734 0 634 9.442 21.436 119.899 1 ? 0.000e+00 0.00e+00 - 0 745 739 744 0 635 9.442 51.930 119.899 1 ? 0.000e+00 0.00e+00 - 0 745 736 744 0 636 6.615 29.244 122.090 1 ? 0.000e+00 0.00e+00 - 0 779 758 778 0 637 6.615 54.041 122.090 1 ? 0.000e+00 0.00e+00 - 0 779 756 778 0 638 9.588 54.041 121.441 1 ? 0.000e+00 0.00e+00 - 0 789 780 788 0 639 8.096 33.254 110.964 1 ? 0.000e+00 0.00e+00 - 0 812 799 811 0 640 8.096 51.930 110.964 1 ? 0.000e+00 0.00e+00 - 0 812 796 811 0 641 7.909 20.486 121.403 1 ? 0.000e+00 0.00e+00 - 0 1964 1958 1963 0 642 7.875 34.309 121.441 1 ? 0.000e+00 0.00e+00 - 0 822 815 821 0 643 7.875 63.854 121.441 1 ? 0.000e+00 0.00e+00 - 0 822 813 821 0 644 7.851 58.789 118.807 1 ? 0.000e+00 0.00e+00 - 0 850 823 849 0 645 7.851 29.877 118.807 1 ? 0.000e+00 0.00e+00 - 0 850 829 849 0 646 7.851 33.359 118.807 1 ? 0.000e+00 0.00e+00 - 0 850 825 849 0 647 7.604 60.161 115.189 1 ? 0.000e+00 0.00e+00 - 0 873 851 872 0 648 7.265 30.616 119.749 1 ? 0.000e+00 0.00e+00 - 0 920 907 919 0 649 7.265 51.297 119.749 1 ? 0.000e+00 0.00e+00 - 0 920 904 919 0 650 7.265 66.175 119.749 1 ? 0.000e+00 0.00e+00 - 0 920 905 919 0 652 8.210 40.007 121.184 1 ? 0.000e+00 0.00e+00 - 0 943 923 942 0 654 8.210 62.165 121.184 1 ? 0.000e+00 0.00e+00 - 0 943 921 942 0 655 7.733 62.060 117.282 1 ? 0.000e+00 0.00e+00 - 0 966 944 965 0 656 7.591 41.062 121.088 1 ? 0.000e+00 0.00e+00 - 0 986 979 985 0 657 6.461 24.285 118.631 1 ? 0.000e+00 0.00e+00 - 0 1008 997 1007 0 658 7.279 25.129 117.349 1 ? 0.000e+00 0.00e+00 - 0 1044 1025 1043 0 659 7.279 58.367 117.349 1 ? 0.000e+00 0.00e+00 - 0 1044 1019 1043 0 660 7.351 42.117 120.021 1 ? 0.000e+00 0.00e+00 - 0 1070 1059 1069 0 661 8.138 23.863 128.359 1 ? 0.000e+00 0.00e+00 - 0 1140 1129 1139 0 662 8.138 22.913 128.359 1 ? 0.000e+00 0.00e+00 - 0 1140 1133 1139 0 663 7.996 37.580 124.733 1 ? 0.000e+00 0.00e+00 - 0 1122 1111 1121 0 664 8.850 27.450 114.646 1 ? 0.000e+00 0.00e+00 - 0 1108 1099 1107 0 665 7.279 33.043 117.349 1 ? 0.000e+00 0.00e+00 - 0 1044 1021 1043 0 666 7.279 42.223 117.349 1 ? 0.000e+00 0.00e+00 - 0 1044 1033 1043 0 667 9.369 26.500 127.714 1 ? 0.000e+00 0.00e+00 - 0 1162 1151 1161 0 668 8.948 40.112 120.725 1 ? 0.000e+00 0.00e+00 - 0 1185 1165 1184 0 669 8.478 26.923 121.274 1 ? 0.000e+00 0.00e+00 - 0 1207 1192 1206 0 670 8.478 26.078 121.274 1 ? 0.000e+00 0.00e+00 - 0 1207 1196 1206 0 671 8.478 24.390 121.274 1 ? 0.000e+00 0.00e+00 - 0 1207 1200 1206 0 672 8.545 36.419 129.042 1 ? 0.000e+00 0.00e+00 - 0 1233 1210 1232 0 673 8.545 30.088 129.042 1 ? 0.000e+00 0.00e+00 - 0 1233 1218 1232 0 674 8.545 25.234 129.042 1 ? 0.000e+00 0.00e+00 - 0 1233 1214 1232 0 675 9.169 35.575 128.981 1 ? 0.000e+00 0.00e+00 - 0 1790 1775 1789 0 676 9.169 22.069 128.981 1 ? 0.000e+00 0.00e+00 - 0 1790 1779 1789 0 677 9.169 21.119 128.981 1 ? 0.000e+00 0.00e+00 - 0 1790 1779 1789 0 678 9.117 35.364 128.891 1 ? 0.000e+00 0.00e+00 - 0 1251 1236 1250 0 679 9.117 22.174 128.891 1 ? 0.000e+00 0.00e+00 - 0 1251 1240 1250 0 680 9.117 21.541 128.891 1 ? 0.000e+00 0.00e+00 - 0 1251 1244 1250 0 681 9.279 41.695 119.177 1 ? 0.000e+00 0.00e+00 - 0 1261 1254 1260 0 682 8.529 65.225 119.404 1 ? 0.000e+00 0.00e+00 - 0 1274 1262 1273 0 683 8.529 23.335 119.404 1 ? 0.000e+00 0.00e+00 - 0 1274 1268 1273 0 684 8.023 41.484 121.825 1 ? 0.000e+00 0.00e+00 - 0 1284 1277 1283 0 685 8.099 58.578 121.709 1 ? 0.000e+00 0.00e+00 - 0 1298 1285 1297 0 686 8.099 37.369 121.709 1 ? 0.000e+00 0.00e+00 - 0 1298 1291 1297 0 687 8.099 36.525 121.709 1 ? 0.000e+00 0.00e+00 - 0 1298 1287 1297 0 688 8.658 42.117 114.451 1 ? 0.000e+00 0.00e+00 - 0 1346 1335 1345 0 689 8.658 32.832 114.451 1 ? 0.000e+00 0.00e+00 - 0 1346 1323 1345 0 690 8.658 25.023 114.451 1 ? 0.000e+00 0.00e+00 - 0 1346 1327 1345 0 691 7.320 52.141 121.858 1 ? 0.000e+00 0.00e+00 - 0 1320 1299 1319 0 692 7.320 26.923 121.858 1 ? 0.000e+00 0.00e+00 - 0 1320 1305 1319 0 693 7.320 25.656 121.858 1 ? 0.000e+00 0.00e+00 - 0 1320 1309 1319 0 694 7.320 24.496 121.858 1 ? 0.000e+00 0.00e+00 - 0 1320 1313 1319 0 695 7.927 16.371 118.789 1 ? 0.000e+00 0.00e+00 - 0 1438 1432 1437 0 696 7.831 27.872 121.822 1 ? 0.000e+00 0.00e+00 - 0 1428 1407 1427 0 697 7.691 40.534 118.045 1 ? 0.000e+00 0.00e+00 - 0 1404 1397 1403 0 698 8.053 18.270 111.572 1 ? 0.000e+00 0.00e+00 - 0 1384 1378 1383 0 699 7.589 31.987 120.049 1 ? 0.000e+00 0.00e+00 - 0 1374 1359 1373 0 700 7.589 66.070 120.049 1 ? 0.000e+00 0.00e+00 - 0 1374 1357 1373 0 701 7.589 22.069 120.049 1 ? 0.000e+00 0.00e+00 - 0 1374 1363 1373 0 702 7.589 21.014 120.049 1 ? 0.000e+00 0.00e+00 - 0 1374 1367 1373 0 703 8.327 47.182 118.285 1 ? 0.000e+00 0.00e+00 - 0 1620 1601 1619 0 704 8.327 54.041 118.285 1 ? 0.000e+00 0.00e+00 - 0 1620 1599 1619 0 705 8.327 27.978 118.285 1 ? 0.000e+00 0.00e+00 - 0 1620 1605 1619 0 706 8.327 26.712 118.285 1 ? 0.000e+00 0.00e+00 - 0 1620 1609 1619 0 707 8.327 25.867 118.285 1 ? 0.000e+00 0.00e+00 - 0 1620 1613 1619 0 708 9.339 40.745 123.761 1 ? 0.000e+00 0.00e+00 - 0 1557 1537 1556 0 709 8.035 34.203 115.305 1 ? 0.000e+00 0.00e+00 - 0 1521 1508 1520 0 710 8.035 24.812 115.305 1 ? 0.000e+00 0.00e+00 - 0 1521 1512 1520 0 711 8.480 21.225 118.700 1 ? 0.000e+00 0.00e+00 - 0 1487 1481 1486 0 712 8.634 59.739 127.524 1 ? 0.000e+00 0.00e+00 - 0 1459 1439 1458 0 713 8.624 8.140 127.524 1 ? 0.000e+00 0.00e+00 - 0 1459 1453 1458 0 714 9.877 63.432 125.561 1 ? 0.000e+00 0.00e+00 - 0 1534 1522 1533 0 715 8.035 63.326 115.305 1 ? 0.000e+00 0.00e+00 - 0 1521 1506 1520 0 716 8.480 51.930 118.700 1 ? 0.000e+00 0.00e+00 - 0 1487 1478 1486 0 717 8.411 36.841 123.878 1 ? 0.000e+00 0.00e+00 - 0 1575 1560 1574 0 718 10.125 42.117 128.111 1 ? 0.000e+00 0.00e+00 - 0 1646 1635 1645 0 719 10.125 37.685 128.111 1 ? 0.000e+00 0.00e+00 - 0 1646 1623 1645 0 720 10.125 30.510 128.111 1 ? 0.000e+00 0.00e+00 - 0 1646 1631 1645 0 721 10.125 25.762 128.111 1 ? 0.000e+00 0.00e+00 - 0 1646 1627 1645 0 722 8.909 39.374 104.391 1 ? 0.000e+00 0.00e+00 - 0 1660 1653 1659 0 723 8.909 38.424 104.391 1 ? 0.000e+00 0.00e+00 - 0 1660 1649 1659 0 724 9.396 28.611 128.885 1 ? 0.000e+00 0.00e+00 - 0 1714 1703 1713 0 725 7.793 26.817 116.357 1 ? 0.000e+00 0.00e+00 - 0 1736 1721 1735 0 726 7.793 26.078 116.357 1 ? 0.000e+00 0.00e+00 - 0 1736 1725 1735 0 727 7.793 22.280 116.357 1 ? 0.000e+00 0.00e+00 - 0 1736 1729 1735 0 728 9.579 30.088 125.619 1 ? 0.000e+00 0.00e+00 - 0 1772 1757 1771 0 729 8.686 60.372 115.242 1 ? 0.000e+00 0.00e+00 - 0 1941 1924 1940 0 730 8.179 59.633 117.063 1 ? 0.000e+00 0.00e+00 - 0 1923 1902 1922 0 732 8.179 25.129 117.063 1 ? 0.000e+00 0.00e+00 - 0 1923 1912 1922 0 733 8.179 24.074 117.063 1 ? 0.000e+00 0.00e+00 - 0 1923 1916 1922 0 734 8.417 59.633 122.945 1 ? 0.000e+00 0.00e+00 - 0 1901 1888 1900 0 735 8.417 29.983 122.945 1 ? 0.000e+00 0.00e+00 - 0 1901 1890 1900 0 736 8.435 29.983 117.719 1 ? 0.000e+00 0.00e+00 - 0 1877 1862 1876 0 737 8.435 61.321 117.719 1 ? 0.000e+00 0.00e+00 - 0 1877 1852 1876 0 738 7.586 17.743 125.855 1 ? 0.000e+00 0.00e+00 - 0 1825 1819 1824 0 739 8.607 33.148 115.099 1 ? 0.000e+00 0.00e+00 - 0 1808 1793 1807 0 740 8.607 21.541 115.099 1 ? 0.000e+00 0.00e+00 - 0 1808 1797 1807 0 741 8.607 20.803 115.099 1 ? 0.000e+00 0.00e+00 - 0 1808 1801 1807 0 742 8.179 26.923 117.063 1 ? 0.000e+00 0.00e+00 - 0 1923 1908 1922 0 743 8.179 41.801 117.063 1 ? 0.000e+00 0.00e+00 - 0 1923 1904 1922 0 744 8.686 35.047 115.242 1 ? 0.000e+00 0.00e+00 - 0 1941 1930 1940 0 745 8.686 34.309 115.242 1 ? 0.000e+00 0.00e+00 - 0 1941 1926 1940 0 746 7.427 30.827 118.791 1 ? 0.000e+00 0.00e+00 - 0 1985 1974 1984 0 747 7.514 17.848 116.614 1 ? 0.000e+00 0.00e+00 - 0 1995 1989 1994 0 748 7.454 25.234 128.907 1 ? 0.000e+00 0.00e+00 - 0 2060 2049 2059 0 749 7.220 30.088 114.405 1 ? 0.000e+00 0.00e+00 - 0 2021 2006 2020 0 750 7.220 42.117 114.405 1 ? 0.000e+00 0.00e+00 - 0 2021 1998 2020 0 751 7.450 55.518 128.907 1 ? 0.000e+00 0.00e+00 - 0 2060 2039 2059 0 752 7.471 56.468 121.578 1 ? 0.000e+00 0.00e+00 - 0 2038 2022 2037 0 753 8.181 61.743 121.184 1 ? 0.000e+00 0.00e+00 - 0 1951 1942 1950 0 756 7.742 25.445 114.652 1 ? 0.000e+00 0.00e+00 - 0 600 581 599 0 757 8.473 39.268 117.308 1 ? 0.000e+00 0.00e+00 - 0 722 702 721 0 758 8.472 46.443 121.274 1 ? 0.000e+00 0.00e+00 - 0 1207 1188 1206 0 759 8.472 52.352 121.274 1 ? 0.000e+00 0.00e+00 - 0 1207 1186 1206 0