# Number of dimensions 3 #INAME 1 1H #INAME 2 13C #INAME 3 15N 7 10.129 177.131 128.889 1 ? 3.176e+04 1.26e+01 a 0 584 582 583 0 8 8.484 174.914 128.616 1 ? 5.894e+04 8.00e+00 a 0 365 363 364 0 9 9.015 175.127 128.353 1 ? 4.836e+04 1.45e+01 a 0 1665 1663 1664 0 10 9.252 176.608 127.773 1 ? 4.491e+04 9.44e+00 a 0 970 968 969 0 11 9.365 182.672 127.223 1 ? 2.601e+05 1.59e+01 a 0 1707 1705 1706 0 12 9.365 175.901 127.223 1 ? 8.107e+04 5.96e+00 a 0 0 0 0 0 13 9.477 177.165 127.059 1 ? 5.194e+04 1.29e+01 a 0 1146 1144 1145 0 14 9.658 175.468 126.693 1 ? 6.203e+04 6.27e+00 a 0 0 0 0 0 15 8.247 174.213 126.679 1 ? 6.287e+04 1.01e+01 a 0 1686 1684 1685 0 16 8.832 173.144 126.533 1 ? 5.061e+04 1.72e+01 a 0 1445 1443 1444 0 17 8.048 174.639 126.447 1 ? 5.431e+04 1.62e+01 a 0 1086 1084 1085 0 18 9.704 173.911 126.276 1 ? 3.456e+04 1.23e+01 a 0 247 245 246 0 19 9.134 174.550 126.118 1 ? 5.710e+04 7.89e+00 a 0 1005 1003 1004 0 20 7.788 174.344 126.194 1 ? 1.002e+05 2.23e+01 a 0 1019 1017 1018 0 21 8.701 174.252 126.133 1 ? 4.647e+04 1.31e+01 a 0 944 942 943 0 23 9.236 175.755 124.681 1 ? 5.311e+04 1.30e+01 a 0 918 916 917 0 24 8.776 174.443 124.716 1 ? 5.405e+04 1.41e+01 a 0 872 870 871 0 25 8.009 177.054 124.676 1 ? 6.047e+04 1.93e+01 a 0 416 414 415 0 26 9.300 175.317 124.591 1 ? 4.278e+04 1.76e+01 a 0 1303 1301 1302 0 27 8.300 176.188 124.564 1 ? 1.437e+05 1.92e+01 a 0 20 18 19 0 28 9.510 173.389 124.364 1 ? 5.277e+04 7.47e+00 a 0 1601 1599 1600 0 29 9.270 174.861 124.150 1 ? 5.969e+04 2.19e+01 a 0 729 727 728 0 31 9.391 174.650 123.635 1 ? 4.898e+04 2.22e+01 a 0 482 480 481 0 32 8.074 175.075 123.550 1 ? 4.963e+04 1.71e+01 a 0 900 898 899 0 35 8.059 174.772 123.009 1 ? 6.056e+04 2.18e+01 a 0 779 777 778 0 36 9.627 175.273 122.662 1 ? 6.141e+04 9.34e+00 a 0 1468 1466 1467 0 37 8.578 174.859 122.481 1 ? 6.525e+04 6.57e+00 a 0 817 815 816 0 38 8.771 175.994 122.331 1 ? 5.273e+04 1.39e+01 a 0 216 214 215 0 39 9.575 174.470 122.271 1 ? 5.817e+04 1.19e+01 a 0 685 683 684 0 40 9.008 175.271 122.137 1 ? 7.367e+04 6.45e+00 a 0 841 839 840 0 41 8.821 173.518 122.182 1 ? 5.779e+04 2.00e+01 a 0 1489 1487 1488 0 43 8.581 176.013 122.133 1 ? 6.484e+04 2.50e+01 a 0 1647 1645 1646 0 44 9.266 175.880 121.999 1 ? 5.520e+04 1.81e+01 a 0 1522 1520 1521 0 45 8.031 174.553 122.003 1 ? 6.478e+04 1.96e+01 a 0 445 443 444 0 46 8.705 174.346 121.569 1 ? 9.108e+04 2.59e+01 a 0 1405 1403 1404 0 47 9.188 175.862 121.521 1 ? 6.342e+04 1.80e+01 a 0 1754 1752 1753 0 48 6.971 175.888 121.410 1 ? 5.489e+04 5.53e+00 a 0 1198 1196 1197 0 49 8.016 175.313 121.487 1 ? 3.012e+04 1.18e+01 a 0 0 0 0 0 50 8.205 174.147 120.923 1 ? 3.155e+04 1.39e+01 a 0 60 58 59 0 51 8.711 173.771 120.757 1 ? 6.625e+04 1.17e+01 a 0 1768 1766 1767 0 52 8.916 175.987 120.477 1 ? 5.674e+04 7.00e+00 a 0 1512 1510 1511 0 53 8.051 170.957 120.393 1 ? 6.681e+04 2.03e+01 a 0 343 341 342 0 54 8.738 171.923 120.224 1 ? 6.639e+04 1.06e+01 a 0 133 131 132 0 55 8.930 173.929 120.166 1 ? 6.704e+04 1.41e+01 a 0 675 673 674 0 56 8.205 173.741 120.095 1 ? 1.400e+05 2.64e+01 a 0 1356 1354 1355 0 57 8.922 177.268 119.772 1 ? 8.360e+04 2.29e+01 a 0 0 0 0 0 58 8.264 177.634 119.694 1 ? 1.767e+05 9.48e+00 a 0 30 28 29 0 59 8.556 180.745 119.623 1 ? 6.565e+04 1.40e+01 a 0 1265 1263 1264 0 63 7.448 177.740 119.471 1 ? 6.089e+04 1.71e+01 a 0 1221 1219 1220 0 64 8.477 174.185 119.449 1 ? 2.165e+04 7.06e+00 a 0 1550 1548 1549 0 65 8.651 174.486 119.173 1 ? 6.621e+04 2.04e+01 a 0 1063 1061 1062 0 66 8.488 173.230 118.638 1 ? 7.152e+04 1.20e+01 a 0 1588 1586 1587 0 67 7.165 176.636 118.416 1 ? 7.616e+04 1.79e+01 a 0 110 108 109 0 68 8.313 176.664 118.295 1 ? 7.442e+04 2.03e+01 a 0 1045 1043 1044 0 69 9.422 176.727 118.227 1 ? 4.730e+04 1.28e+01 a 0 1139 1137 1138 0 71 7.482 175.702 118.101 1 ? 1.031e+05 2.23e+01 a 0 74 72 73 0 74 9.424 177.266 117.418 1 ? 7.101e+04 1.77e+01 a 0 1170 1168 1169 0 75 7.373 178.147 117.343 1 ? 7.893e+04 1.04e+01 a 0 1184 1182 1183 0 77 7.580 174.787 117.277 1 ? 6.788e+04 2.06e+01 a 0 1737 1735 1736 0 78 8.478 176.594 117.219 1 ? 5.154e+04 1.76e+01 a 0 0 0 0 0 79 6.450 175.286 117.157 1 ? 5.483e+04 7.93e+00 a 0 1427 1425 1426 0 80 7.547 174.666 116.890 1 ? 2.784e+04 8.13e+00 a 0 0 0 0 0 81 7.475 177.716 116.733 1 ? 7.602e+04 1.62e+01 a 0 998 996 997 0 82 8.336 174.506 116.529 1 ? 8.284e+04 1.77e+01 a 0 307 305 306 0 83 8.226 174.326 116.419 1 ? 8.941e+04 1.01e+01 a 0 297 295 296 0 84 7.477 174.866 115.830 1 ? 8.606e+04 2.03e+01 a 0 1339 1337 1338 0 85 8.559 175.403 115.022 1 ? 5.612e+04 2.08e+01 a 0 496 494 495 0 86 7.559 175.837 114.742 1 ? 4.556e+04 1.12e+01 a 0 468 466 467 0 87 8.166 176.196 114.637 1 ? 8.387e+04 2.58e+01 a 0 333 331 332 0 88 8.762 177.744 114.388 1 ? 4.939e+04 1.47e+01 a 0 1108 1106 1107 0 89 7.047 177.320 113.954 1 ? 8.507e+04 5.69e+00 a 0 261 259 260 0 90 8.024 180.242 113.471 1 ? 7.930e+04 1.72e+01 a 0 807 805 806 0 91 8.171 176.213 113.049 1 ? 2.642e+04 1.33e+01 a 0 40 38 39 0 97 6.746 177.357 112.736 1 ? 5.583e+04 2.49e+01 a 0 1289 1287 1288 0 100 9.114 173.443 112.558 1 ? 7.455e+04 1.89e+01 a 0 657 655 656 0 101 7.987 176.563 112.313 1 ? 1.463e+05 2.46e+01 a 0 762 760 761 0 103 7.259 174.366 112.164 1 ? 8.680e+04 1.80e+01 a 0 287 285 286 0 107 8.874 177.038 111.499 1 ? 7.899e+04 1.15e+01 a 0 1349 1347 1348 0 112 7.500 182.682 110.693 1 ? 1.102e+05 1.11e+01 a 0 0 0 0 0 113 6.673 182.657 110.692 1 ? 7.676e+04 1.01e+01 a 0 0 0 0 0 114 8.690 175.713 108.367 1 ? 3.613e+04 1.04e+01 a 0 1730 1728 1729 0 115 8.755 176.031 108.276 1 ? 1.085e+04 5.89e+00 a 0 0 0 0 0 116 7.504 177.714 107.956 1 ? 7.955e+04 1.50e+01 a 0 644 642 643 0 117 6.509 182.702 107.212 1 ? 2.645e+04 5.22e+00 a 0 0 0 0 0 118 7.393 182.668 106.989 1 ? 8.724e+04 7.57e+00 a 0 0 0 0 0 119 6.489 182.569 106.933 1 ? 1.470e+04 3.97e+00 a 0 0 0 0 0 120 8.738 179.969 106.158 1 ? 2.432e+04 1.05e+01 a 0 438 436 437 0 121 9.488 176.268 124.357 2 ? 0.000e+00 0.00e+00 - 0 151 149 150 0 127 8.078 173.877 119.550 2 ? 0.000e+00 0.00e+00 - 0 0 0 0 0 128 8.011 173.800 119.634 2 ? 0.000e+00 0.00e+00 - 0 558 556 557 0 129 9.617 175.732 129.680 2 ? 0.000e+00 0.00e+00 - 0 0 0 0 0 131 9.657 175.461 126.823 2 ? 0.000e+00 0.00e+00 - 0 854 852 853 0 132 9.592 175.540 122.830 2 ? 0.000e+00 0.00e+00 - 0 1624 1622 1623 0 134 7.545 173.014 119.369 2 ? 0.000e+00 0.00e+00 - 0 0 0 0 0 137 7.694 177.717 118.241 2 ? 0.000e+00 0.00e+00 - 0 1239 1237 1238 0 139 7.685 172.672 118.001 2 ? 0.000e+00 0.00e+00 - 0 1325 1323 1324 0 140 7.252 172.927 130.242 2 ? 0.000e+00 0.00e+00 - 0 0 0 0 0 142 7.359 172.656 117.616 2 ? 0.000e+00 0.00e+00 - 0 237 235 236 0 143 7.486 176.552 116.836 2 ? 0.000e+00 0.00e+00 - 0 1786 1784 1785 0 148 8.418 175.551 124.049 2 ? 0.000e+00 0.00e+00 - 0 193 191 192 0 149 8.186 175.235 119.566 2 ? 0.000e+00 0.00e+00 - 0 623 621 622 0 152 8.335 175.334 110.924 2 ? 0.000e+00 0.00e+00 - 0 53 51 52 0 153 8.423 175.213 110.988 2 ? 0.000e+00 0.00e+00 - 0 772 770 771 0 155 6.986 172.855 117.042 2 ? 0.000e+00 0.00e+00 - 0 0 0 0 0 156 8.340 174.923 131.928 2 ? 0.000e+00 0.00e+00 - 0 379 377 378 0 162 7.776 175.143 123.532 2 ? 0.000e+00 0.00e+00 - 0 0 0 0 0 166 8.021 176.998 117.814 2 ? 0.000e+00 0.00e+00 - 0 0 0 0 0