# Number of dimensions 3 #INAME 1 1H #INAME 2 1H #INAME 3 15N 7 10.104 10.104 128.889 1 U 7.442e+03 0.00e+00 m 0 237 237 236 0 8 8.462 8.462 128.616 1 U 8.714e+03 0.00e+00 m 0 365 365 364 0 9 9.008 9.008 128.353 1 U 7.146e+03 0.00e+00 m 0 1665 1665 1664 0 10 9.225 9.225 127.773 2 U 1.197e+04 0.00e+00 m 0 998 998 997 0 11 9.409 9.417 127.353 1 U 5.206e+03 0.00e+00 m 0 1707 1707 1706 0 13 9.501 9.501 127.320 1 U 7.760e+03 0.00e+00 m 0 1146 1146 1145 0 14 9.640 9.640 126.693 1 U 1.078e+04 0.00e+00 m 0 854 854 853 0 15 8.222 8.222 126.679 1 U 1.126e+04 0.00e+00 m 0 1686 1686 1685 0 16 8.821 8.821 126.533 1 U 6.074e+03 0.00e+00 m 0 1445 1445 1444 0 17 8.039 8.039 126.447 1 U 7.964e+03 0.00e+00 m 0 1512 1512 1511 0 18 9.704 9.704 126.276 1 U 4.595e+03 0.00e+00 m 0 817 817 816 0 19 9.109 9.109 126.118 1 U 1.048e+03 0.00e+00 m 0 1005 1005 1004 0 20 7.819 7.819 126.194 1 U 5.444e+04 0.00e+00 m 0 1768 1768 1767 0 21 8.714 8.714 126.133 1 U 1.390e+04 0.00e+00 m 0 944 944 943 0 23 9.262 9.262 125.000 1 U 1.044e+04 0.00e+00 m 0 918 918 917 0 24 8.784 8.784 125.040 1 U 7.010e+03 0.00e+00 m 0 872 872 871 0 25 8.009 8.009 124.676 1 U 1.197e+04 0.00e+00 m 0 416 416 415 0 26 9.283 9.283 124.591 1 U 9.362e+03 0.00e+00 m 0 707 707 706 0 27 8.300 8.300 124.564 1 U 2.008e+04 0.00e+00 m 0 20 20 19 0 28 9.510 9.510 124.364 1 U 1.104e+04 0.00e+00 m 0 1601 1601 1600 0 29 9.264 9.264 124.150 1 U 8.044e+03 0.00e+00 m 0 1427 1427 1426 0 31 9.357 9.357 123.498 1 U 5.294e+03 0.00e+00 m 0 1045 1045 1044 0 32 8.066 8.066 124.250 1 U 1.088e+04 0.00e+00 m 0 900 900 899 0 35 8.059 8.059 123.009 1 U 1.314e+04 0.00e+00 m 0 779 779 778 0 36 9.618 9.618 122.662 1 U 9.112e+03 0.00e+00 m 0 1468 1468 1467 0 38 8.734 8.734 122.331 1 U 7.760e+03 0.00e+00 m 0 193 193 192 0 39 9.575 9.575 122.271 1 U 5.367e+03 0.00e+00 m 0 685 685 684 0 40 9.008 9.008 122.137 1 U 1.438e+04 0.00e+00 m 0 841 841 840 0 41 8.874 8.874 122.182 1 U 8.169e+03 0.00e+00 m 0 1063 1063 1062 0 43 8.567 8.567 122.133 1 U 7.782e+03 0.00e+00 m 0 1647 1647 1646 0 44 9.255 9.255 121.999 1 U 5.118e+03 0.00e+00 m 0 1560 1560 1559 0 45 8.031 8.031 122.003 1 U 1.060e+04 0.00e+00 m 0 445 445 444 0 46 8.699 8.699 121.569 1 U 2.523e+04 0.00e+00 m 0 1339 1339 1338 0 47 9.185 9.185 121.521 1 U 8.941e+03 0.00e+00 m 0 1382 1382 1381 0 48 6.971 6.971 121.410 1 U 8.214e+03 0.00e+00 m 0 1198 1198 1197 0 49 8.074 8.076 121.487 4 U 6.467e+03 0.00e+00 m 0 0 0 0 0 51 8.722 8.722 120.757 1 U 8.850e+03 0.00e+00 m 0 1405 1405 1404 0 52 8.901 8.901 120.477 1 U 9.771e+03 0.00e+00 m 0 1086 1086 1085 0 53 8.082 8.051 120.393 4 U 1.015e+04 0.00e+00 m 0 0 0 0 0 54 8.732 8.732 120.224 1 U 9.555e+03 0.00e+00 m 0 133 133 132 0 55 8.930 8.930 120.166 1 U 9.737e+03 0.00e+00 m 0 675 675 674 0 56 8.205 8.205 120.095 1 U 4.621e+04 0.00e+00 m 0 60 60 59 0 57 8.912 8.912 119.772 1 U 1.035e+04 0.00e+00 m 0 247 247 246 0 58 8.264 8.264 119.694 1 U 3.998e+04 0.00e+00 m 0 30 30 29 0 59 8.550 8.550 119.623 1 U 1.472e+04 0.00e+00 m 0 1265 1265 1264 0 63 7.448 7.448 119.525 1 U 6.451e+03 0.00e+00 m 0 1221 1221 1220 0 65 8.640 8.640 119.173 1 U 1.622e+04 0.00e+00 m 0 92 92 91 0 66 8.464 8.464 118.638 1 U 1.318e+04 0.00e+00 m 0 1588 1588 1587 0 67 7.146 7.146 118.416 1 U 1.131e+04 0.00e+00 m 0 519 519 518 0 68 8.303 8.303 118.295 1 U 2.323e+04 0.00e+00 m 0 74 74 73 0 69 9.365 9.370 117.843 1 U 3.772e+03 0.00e+00 m 0 1139 1139 1138 0 71 7.491 7.491 118.101 1 U 1.638e+04 0.00e+00 m 0 1019 1019 1018 0 74 9.406 9.406 117.555 1 U 1.818e+04 0.00e+00 m 0 1170 1170 1169 0 75 7.367 7.367 117.343 1 U 4.989e+03 0.00e+00 m 0 1184 1184 1183 0 78 8.467 8.467 117.219 1 U 7.146e+03 0.00e+00 m 0 762 762 761 0 79 6.424 6.424 117.157 1 U 5.640e+03 0.00e+00 m 0 1325 1325 1324 0 80 7.543 7.543 116.890 1 U 1.187e+04 0.00e+00 m 0 1356 1356 1355 0 81 7.460 7.460 116.733 1 U 4.101e+04 0.00e+00 m 0 482 482 481 0 83 8.213 8.213 116.419 1 U 1.269e+04 0.00e+00 m 0 297 297 296 0 84 7.471 7.471 115.830 1 U 1.684e+04 0.00e+00 m 0 1303 1303 1302 0 85 8.554 8.554 115.022 1 U 8.987e+03 0.00e+00 m 0 110 110 109 0 86 7.559 7.559 114.742 1 U 8.510e+03 0.00e+00 m 0 468 468 467 0 87 8.184 8.184 114.637 1 U 1.999e+04 0.00e+00 m 0 333 333 332 0 88 8.759 8.759 114.388 1 U 1.080e+04 0.00e+00 m 0 1108 1108 1107 0 89 7.056 7.056 114.276 1 U 9.634e+03 0.00e+00 m 0 261 261 260 0 90 7.995 7.995 113.471 1 U 1.600e+04 0.00e+00 m 0 287 287 286 0 97 6.736 6.736 112.736 1 U 1.763e+04 0.00e+00 m 0 1275 1275 1274 0 100 9.114 9.114 112.558 1 U 8.089e+03 0.00e+00 m 0 657 657 656 0 101 7.987 7.987 112.313 1 U 8.651e+04 0.00e+00 m 0 40 40 39 0 103 7.259 7.259 112.164 1 U 1.123e+04 0.00e+00 m 0 807 807 806 0 107 8.870 8.870 111.675 1 U 6.684e+03 0.00e+00 m 0 1349 1349 1348 0 114 8.690 8.690 108.367 1 U 1.341e+03 0.00e+00 m 0 1730 1730 1729 0 116 7.486 7.486 107.956 1 U 1.043e+04 0.00e+00 m 0 644 644 643 0 120 8.738 8.738 106.158 1 U 4.692e+03 0.00e+00 m 0 438 438 437 0 121 9.477 9.477 124.357 1 U 1.366e+04 0.00e+00 m 0 151 151 150 0 127 8.078 8.078 119.550 1 U 1.977e+04 0.00e+00 m 0 1550 1550 1549 0 128 7.989 7.989 119.634 1 U 3.140e+04 0.00e+00 m 0 558 558 557 0 129 9.606 9.606 129.680 1 U 5.343e+03 0.00e+00 m 0 1489 1489 1488 0 132 9.574 9.574 122.830 1 U 6.459e+03 0.00e+00 m 0 1624 1624 1623 0 137 7.721 7.721 118.241 1 U 9.884e+03 0.00e+00 m 0 1239 1239 1238 0 139 7.669 7.669 117.953 1 U 1.353e+04 0.00e+00 m 0 1289 1289 1288 0 140 7.259 7.259 130.242 1 U 5.616e+03 0.00e+00 m 0 216 216 215 0 143 7.480 7.480 116.836 1 U 3.604e+04 0.00e+00 m 0 496 496 495 0 148 8.437 8.437 124.049 1 U 1.329e+04 0.00e+00 m 0 584 584 583 0 149 8.186 8.186 119.566 1 U 2.008e+04 0.00e+00 m 0 623 623 622 0 152 8.335 8.335 110.924 1 U 5.367e+04 0.00e+00 m 0 53 53 52 0 153 8.423 8.423 110.988 1 U 1.942e+03 0.00e+00 m 0 772 772 771 0 155 6.986 6.986 117.042 1 U 7.487e+03 0.00e+00 m 0 1576 1576 1575 0 156 8.340 8.340 131.928 1 U 5.664e+03 0.00e+00 m 0 379 379 378 0 162 7.776 7.776 123.532 4 U 8.677e+04 0.00e+00 m 0 0 0 0 0 166 8.009 8.009 117.814 1 U 1.361e+04 0.00e+00 m 0 729 729 728 0 167 8.925 8.925 125.554 1 U 3.341e+03 0.00e+00 m 0 1121 1121 1120 0 621 7.338 7.344 107.305 1 U 5.439e+03 0.00e+00 m 0 477 477 476 0 622 6.481 6.498 107.305 1 U 3.686e+03 0.00e+00 m 0 478 478 476 0 623 7.456 7.468 110.904 1 U 4.596e+04 0.00e+00 m 0 105 105 104 0 624 6.657 6.672 110.904 1 U 3.336e+04 0.00e+00 m 0 106 106 104 0 625 7.319 7.344 111.418 4 U 1.112e+04 0.00e+00 m 0 0 0 0 0 626 6.827 6.833 111.418 1 U 1.570e+04 0.00e+00 m 0 1441 1441 1439 0 627 7.494 7.518 112.189 4 U 4.525e+04 0.00e+00 m 0 0 0 0 0 628 6.822 6.846 112.189 4 U 6.563e+04 0.00e+00 m 0 0 0 0 0 629 7.437 7.455 112.960 1 U 5.534e+04 0.00e+00 m 0 1298 1298 1297 0 630 6.706 6.706 112.960 1 U 7.526e+04 0.00e+00 m 0 1299 1299 1297 0 631 7.512 7.518 112.446 4 U 4.255e+04 0.00e+00 m 0 0 0 0 0 632 6.832 6.846 112.446 4 U 5.264e+04 0.00e+00 m 0 0 0 0 0 633 10.446 10.446 130.181 1 U 1.086e+04 0.00e+00 m 0 1163 1163 1158 0 634 11.637 11.637 132.237 1 U 1.048e+04 0.00e+00 m 0 834 834 829 0 635 7.347 7.345 117.586 4 U 6.186e+03 0.00e+00 m 0 0 0 0 0 636 8.074 7.789 121.487 4 U 1.109e+03 0.00e+00 m 0 0 0 0 0 637 8.074 4.417 121.487 4 U 9.950e+02 0.00e+00 m 0 0 0 0 0 638 8.074 4.259 121.487 4 U 1.854e+03 0.00e+00 m 0 0 0 0 0 639 8.074 2.731 121.487 4 U 1.990e+02 0.00e+00 m 0 0 0 0 0 640 8.074 1.845 121.487 4 U 7.980e+02 0.00e+00 m 0 0 0 0 0 641 7.776 4.841 123.532 4 U 6.570e+02 0.00e+00 m 0 0 0 0 0 642 7.776 4.404 123.532 4 U 2.984e+03 0.00e+00 m 0 0 0 0 0 643 7.776 4.295 123.532 4 U 1.820e+03 0.00e+00 m 0 0 0 0 0 644 7.776 2.852 123.532 4 U 2.286e+03 0.00e+00 m 0 0 0 0 0 645 7.776 2.646 123.532 4 U 5.190e+02 0.00e+00 m 0 0 0 0 0 646 7.776 2.270 123.532 4 U 6.870e+02 0.00e+00 m 0 0 0 0 0 647 7.776 2.015 123.532 4 U 1.400e+02 0.00e+00 m 0 0 0 0 0 648 7.766 1.809 123.532 4 U 9.520e+02 0.00e+00 m 0 0 0 0 0 649 7.319 6.842 111.418 4 U 9.946e+03 0.00e+00 m 0 0 0 0 0 650 7.319 2.500 111.418 4 U 1.154e+03 0.00e+00 m 0 0 0 0 0 651 7.319 2.245 111.418 1 U 2.056e+03 0.00e+00 m 0 1440 1435 1439 0 652 7.319 2.076 111.418 1 U 1.849e+03 0.00e+00 m 0 1440 1436 1439 0 653 7.319 0.899 111.418 3 U 1.610e+03 0.00e+00 m 0 1440 0 1439 0 654 6.827 7.340 111.418 1 U 6.789e+03 0.00e+00 m 0 1441 1440 1439 0 655 6.827 2.270 111.418 1 U 9.240e+02 0.00e+00 m 0 1441 1435 1439 0 656 6.827 2.100 111.418 3 U 1.050e+03 0.00e+00 m 0 1441 0 1439 0 657 6.827 0.875 111.418 3 U 9.990e+02 0.00e+00 m 0 1441 0 1439 0 658 8.300 4.820 124.564 4 U 2.377e+03 0.00e+00 m 0 0 0 0 0 659 8.300 4.488 124.564 1 U 2.295e+03 0.00e+00 m 0 20 4 19 0 660 8.300 4.312 124.564 1 U 1.029e+03 0.00e+00 m 0 20 22 19 0 661 8.300 1.383 124.564 1 U 3.056e+03 0.00e+00 m 0 20 23 19 0 662 8.264 4.820 119.694 4 U 3.789e+03 0.00e+00 m 0 0 0 0 0 663 8.264 4.663 119.694 1 U 2.368e+03 0.00e+00 m 0 30 32 29 0 664 8.264 4.312 119.694 1 U 7.328e+03 0.00e+00 m 0 30 22 29 0 665 8.264 2.711 119.694 1 U 4.692e+03 0.00e+00 m 0 30 36 29 0 666 8.264 1.383 119.694 1 U 2.980e+03 0.00e+00 m 0 30 23 29 0 667 7.995 8.013 112.960 1 U 2.651e+04 0.00e+00 m 0 1193 1193 1192 0 668 7.101 7.106 112.960 1 U 1.682e+04 0.00e+00 m 0 1194 1194 1192 0 669 7.987 8.320 112.313 1 U 5.865e+03 0.00e+00 m 0 40 53 39 0 670 7.987 4.802 112.313 4 U 3.647e+03 0.00e+00 m 0 0 0 0 0 671 7.987 4.649 112.313 1 U 6.082e+03 0.00e+00 m 0 40 32 39 0 672 7.987 4.342 112.313 2 U 7.260e+03 0.00e+00 m 0 40 44 39 0 673 7.987 2.708 112.313 1 U 1.758e+03 0.00e+00 m 0 40 36 39 0 674 7.987 1.396 112.313 1 U 1.269e+03 0.00e+00 m 0 40 23 39 0 675 7.987 1.173 112.313 1 U 4.885e+03 0.00e+00 m 0 40 45 39 0 676 8.335 4.816 110.924 4 U 2.323e+03 0.00e+00 m 0 0 0 0 0 677 8.335 4.663 110.924 1 U 1.161e+03 0.00e+00 m 0 53 32 52 0 678 8.335 4.328 110.924 2 U 7.885e+03 0.00e+00 m 0 53 44 52 0 679 8.335 3.951 110.924 4 U 8.896e+03 0.00e+00 m 0 0 0 0 0 680 8.335 2.164 110.924 3 U 5.690e+02 0.00e+00 m 0 53 0 52 0 681 8.335 1.940 110.924 3 U 6.200e+02 0.00e+00 m 0 53 0 52 0 682 8.335 1.173 110.924 1 U 1.435e+03 0.00e+00 m 0 53 45 52 0 683 8.335 0.433 110.924 4 U 5.760e+02 0.00e+00 m 0 0 0 0 0 684 8.205 4.802 120.095 4 U 1.307e+03 0.00e+00 m 0 0 0 0 0 685 8.205 4.453 120.095 1 U 6.218e+03 0.00e+00 m 0 60 62 59 0 686 8.205 3.951 120.095 4 U 1.289e+04 0.00e+00 m 0 0 0 0 0 687 8.205 2.206 120.095 1 U 8.998e+03 0.00e+00 m 0 60 70 59 0 688 8.205 1.927 120.095 1 U 1.166e+04 0.00e+00 m 0 60 66 59 0 689 8.205 1.368 120.095 4 U 1.004e+03 0.00e+00 m 0 0 0 0 0 690 8.205 0.949 120.095 4 U 1.215e+03 0.00e+00 m 0 0 0 0 0 691 8.205 0.489 120.095 3 U 1.002e+03 0.00e+00 m 0 60 0 59 0 692 8.205 0.293 120.095 3 U 8.270e+02 0.00e+00 m 0 60 0 59 0 693 8.303 4.844 118.295 4 U 9.370e+02 0.00e+00 m 0 0 0 0 0 694 8.303 4.607 118.295 4 U 1.232e+03 0.00e+00 m 0 0 0 0 0 695 8.303 4.439 118.295 1 U 1.192e+04 0.00e+00 m 0 74 62 73 0 697 8.303 2.192 118.295 1 U 3.726e+03 0.00e+00 m 0 74 70 73 0 698 8.303 1.899 118.295 1 U 6.210e+03 0.00e+00 m 0 74 66 73 0 699 8.303 0.949 118.295 1 U 1.642e+03 0.00e+00 m 0 74 1473 73 0 700 8.303 0.503 118.295 1 U 6.620e+03 0.00e+00 m 0 74 80 73 0 701 8.303 0.293 118.295 1 U 3.337e+03 0.00e+00 m 0 74 79 73 0 702 8.303 3.141 118.295 1 U 1.180e+03 0.00e+00 m 0 74 1494 73 0 703 8.303 3.239 118.295 1 U 1.059e+03 0.00e+00 m 0 74 1534 73 0 704 8.303 7.022 118.295 4 U 8.350e+02 0.00e+00 m 0 0 0 0 0 705 8.303 7.134 118.295 4 U 7.130e+02 0.00e+00 m 0 0 0 0 0 706 8.303 8.655 118.295 1 U 1.184e+03 0.00e+00 m 0 74 92 73 0 707 8.303 9.619 118.295 1 U 1.624e+03 0.00e+00 m 0 74 1489 73 0 708 8.640 8.320 119.173 1 U 6.890e+02 0.00e+00 m 0 92 74 91 0 709 8.640 9.619 119.173 1 U 7.620e+02 0.00e+00 m 0 92 1489 91 0 710 8.640 8.809 119.173 4 U 1.073e+03 0.00e+00 m 0 0 0 0 0 711 8.640 7.008 119.173 4 U 1.532e+03 0.00e+00 m 0 0 0 0 0 712 8.640 6.212 119.173 1 U 1.532e+03 0.00e+00 m 0 92 94 91 0 713 8.640 4.481 119.173 1 U 5.776e+03 0.00e+00 m 0 92 76 91 0 714 8.640 2.387 119.173 1 U 2.618e+03 0.00e+00 m 0 92 96 91 0 715 8.640 2.192 119.173 1 U 3.539e+03 0.00e+00 m 0 92 70 91 0 716 8.640 1.885 119.173 1 U 3.442e+03 0.00e+00 m 0 92 78 91 0 717 8.640 0.489 119.173 1 U 1.874e+03 0.00e+00 m 0 92 80 91 0 718 8.640 0.293 119.173 1 U 3.076e+03 0.00e+00 m 0 92 79 91 0 719 8.640 0.949 119.173 3 U 6.640e+02 0.00e+00 m 0 92 1473 91 0 720 7.456 6.673 110.904 1 U 3.445e+04 0.00e+00 m 0 105 106 104 0 721 7.456 6.868 110.904 4 U 1.409e+03 0.00e+00 m 0 0 0 0 0 722 7.456 8.655 110.904 1 U 5.970e+02 0.00e+00 m 0 105 92 104 0 723 7.456 2.373 110.904 1 U 3.012e+03 0.00e+00 m 0 105 96 104 0 724 7.456 2.569 110.904 4 U 5.530e+02 0.00e+00 m 0 0 0 0 0 725 7.456 2.220 110.904 1 U 3.213e+03 0.00e+00 m 0 105 97 104 0 726 7.456 1.829 110.904 4 U 8.630e+02 0.00e+00 m 0 0 0 0 0 727 7.456 1.536 110.904 1 U 6.660e+02 0.00e+00 m 0 105 1479 104 0 728 7.456 0.879 110.904 1 U 1.058e+03 0.00e+00 m 0 105 1482 104 0 729 7.456 0.977 110.904 1 U 9.480e+02 0.00e+00 m 0 105 1473 104 0 730 6.657 6.896 110.904 4 U 1.063e+03 0.00e+00 m 0 0 0 0 0 731 6.657 7.469 110.904 1 U 3.377e+04 0.00e+00 m 0 106 105 104 0 732 6.657 2.373 110.904 1 U 2.101e+03 0.00e+00 m 0 106 96 104 0 733 6.657 2.220 110.904 1 U 2.022e+03 0.00e+00 m 0 106 97 104 0 734 6.657 0.893 110.904 1 U 1.095e+03 0.00e+00 m 0 106 1482 104 0 735 6.657 0.991 110.904 1 U 8.240e+02 0.00e+00 m 0 106 1473 104 0 736 8.554 8.795 115.022 4 U 1.441e+03 0.00e+00 m 0 0 0 0 0 737 8.554 9.633 115.022 2 U 8.330e+02 0.00e+00 m 0 110 1489 109 0 738 8.554 7.301 115.022 1 U 5.780e+02 0.00e+00 m 0 110 1440 109 0 739 8.554 7.148 115.022 4 U 6.670e+02 0.00e+00 m 0 0 0 0 0 740 8.554 6.994 115.022 4 U 8.300e+02 0.00e+00 m 0 0 0 0 0 741 8.554 6.198 115.022 1 U 3.914e+03 0.00e+00 m 0 110 94 109 0 742 8.554 5.835 115.022 3 U 6.290e+02 0.00e+00 m 0 110 0 109 0 743 8.554 5.040 115.022 1 U 1.840e+03 0.00e+00 m 0 110 112 109 0 744 8.554 4.719 115.022 1 U 7.530e+02 0.00e+00 m 0 110 1470 109 0 745 8.554 2.974 115.022 3 U 1.277e+03 0.00e+00 m 0 110 0 109 0 746 8.554 2.359 115.022 4 U 1.871e+03 0.00e+00 m 0 0 0 0 0 747 8.554 2.164 115.022 1 U 5.383e+03 0.00e+00 m 0 110 1449 109 0 748 8.554 1.843 115.022 3 U 1.018e+03 0.00e+00 m 0 110 0 109 0 749 8.554 1.480 115.022 1 U 1.126e+03 0.00e+00 m 0 110 1450 109 0 750 8.554 0.921 115.022 4 U 9.080e+02 0.00e+00 m 0 0 0 0 0 751 8.732 9.535 120.224 4 U 8.510e+02 0.00e+00 m 0 0 0 0 0 752 8.732 6.924 120.224 4 U 7.730e+02 0.00e+00 m 0 0 0 0 0 753 8.732 6.101 120.224 1 U 1.823e+03 0.00e+00 m 0 133 117 132 0 754 8.732 5.821 120.224 1 U 1.355e+03 0.00e+00 m 0 133 135 132 0 755 8.732 5.008 120.224 1 U 3.305e+03 0.00e+00 m 0 133 112 132 0 756 8.732 3.085 120.224 1 U 2.187e+03 0.00e+00 m 0 133 114 132 0 758 8.732 2.946 120.224 1 U 2.119e+03 0.00e+00 m 0 133 115 132 0 759 8.732 2.625 120.224 1 U 1.888e+03 0.00e+00 m 0 133 141 132 0 760 8.732 2.136 120.224 1 U 3.365e+03 0.00e+00 m 0 133 139 132 0 761 8.732 1.787 120.224 4 U 1.139e+03 0.00e+00 m 0 0 0 0 0 762 8.732 1.536 120.224 4 U 8.150e+02 0.00e+00 m 0 0 0 0 0 763 8.732 0.907 120.224 4 U 6.890e+02 0.00e+00 m 0 0 0 0 0 764 9.510 9.312 124.364 1 U 1.393e+03 0.00e+00 m 0 1601 707 1600 0 765 9.510 8.739 124.364 4 U 1.247e+03 0.00e+00 m 0 0 0 0 0 766 9.510 8.879 124.364 4 U 1.267e+03 0.00e+00 m 0 0 0 0 0 767 9.510 7.120 124.364 1 U 9.780e+02 0.00e+00 m 0 1601 1608 1600 0 770 9.510 5.835 124.364 1 U 3.257e+03 0.00e+00 m 0 1601 1603 1600 0 771 9.510 5.361 124.364 1 U 5.455e+03 0.00e+00 m 0 1601 1590 1600 0 772 9.477 8.711 124.357 1 U 2.232e+03 0.00e+00 m 0 151 1405 150 0 773 9.477 6.129 124.357 3 U 1.345e+03 0.00e+00 m 0 151 118 150 0 774 9.477 5.123 124.357 1 U 2.839e+03 0.00e+00 m 0 151 153 150 0 775 9.477 2.625 124.357 1 U 2.459e+03 0.00e+00 m 0 151 141 150 0 776 9.477 2.122 124.357 1 U 4.169e+03 0.00e+00 m 0 151 139 150 0 777 9.477 1.242 124.357 1 U 1.319e+03 0.00e+00 m 0 151 1410 150 0 778 9.477 1.647 124.357 1 U 1.829e+03 0.00e+00 m 0 151 165 150 0 779 9.477 1.829 124.357 1 U 2.363e+03 0.00e+00 m 0 151 156 150 0 780 9.477 0.433 124.357 4 U 6.400e+02 0.00e+00 m 0 0 0 0 0 781 9.477 0.237 124.357 1 U 6.460e+02 0.00e+00 m 0 151 352 150 0 782 9.510 3.071 124.364 1 U 1.435e+03 0.00e+00 m 0 1601 1605 1600 0 783 9.510 2.792 124.364 1 U 1.580e+03 0.00e+00 m 0 1601 1606 1600 0 784 9.510 1.005 124.364 1 U 4.323e+03 0.00e+00 m 0 1601 1593 1600 0 785 9.510 0.656 124.364 1 U 1.729e+03 0.00e+00 m 0 1601 695 1600 0 786 8.734 7.273 122.331 1 U 7.580e+02 0.00e+00 m 0 193 216 192 0 787 8.734 7.008 122.331 4 U 1.133e+03 0.00e+00 m 0 0 0 0 0 788 8.734 5.137 122.331 4 U 7.260e+02 0.00e+00 m 0 0 0 0 0 790 8.734 4.886 122.331 4 U 1.009e+03 0.00e+00 m 0 0 0 0 0 791 8.734 4.774 122.331 1 U 1.151e+03 0.00e+00 m 0 193 1384 192 0 792 8.734 4.258 122.331 1 U 4.385e+03 0.00e+00 m 0 193 179 192 0 793 8.734 3.141 122.331 1 U 2.184e+03 0.00e+00 m 0 193 197 192 0 794 8.734 2.764 122.331 1 U 1.164e+03 0.00e+00 m 0 193 1386 192 0 795 8.734 2.583 122.331 1 U 1.654e+03 0.00e+00 m 0 193 198 192 0 796 8.734 2.038 122.331 1 U 2.062e+03 0.00e+00 m 0 193 187 192 0 797 8.734 1.857 122.331 4 U 1.178e+03 0.00e+00 m 0 0 0 0 0 798 8.734 1.647 122.331 1 U 1.717e+03 0.00e+00 m 0 193 183 192 0 799 8.734 1.284 122.331 1 U 9.880e+02 0.00e+00 m 0 193 1414 192 0 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9.570e+02 0.00e+00 m 0 0 0 0 0 816 10.104 8.907 128.889 1 U 1.610e+03 0.00e+00 m 0 237 247 236 0 817 10.104 8.013 128.889 1 U 6.430e+02 0.00e+00 m 0 237 287 236 0 818 10.104 7.287 128.889 1 U 1.253e+03 0.00e+00 m 0 237 216 236 0 819 10.104 7.050 128.889 1 U 7.380e+02 0.00e+00 m 0 237 261 236 0 820 10.104 4.816 128.889 4 U 5.660e+02 0.00e+00 m 0 0 0 0 0 821 10.104 4.495 128.889 1 U 9.910e+02 0.00e+00 m 0 237 291 236 0 822 10.104 4.356 128.889 1 U 5.278e+03 0.00e+00 m 0 237 218 236 0 823 10.104 3.979 128.889 1 U 4.255e+03 0.00e+00 m 0 237 239 236 0 824 10.104 3.504 128.889 1 U 2.198e+03 0.00e+00 m 0 237 243 236 0 825 10.104 2.736 128.889 1 U 7.180e+02 0.00e+00 m 0 237 1345 236 0 826 10.104 2.248 128.889 3 U 7.930e+02 0.00e+00 m 0 237 0 236 0 827 10.104 1.927 128.889 4 U 6.360e+02 0.00e+00 m 0 0 0 0 0 828 10.104 1.759 128.889 1 U 8.480e+02 0.00e+00 m 0 237 220 236 0 829 10.104 1.298 128.889 4 U 8.630e+02 0.00e+00 m 0 0 0 0 0 830 10.104 1.075 128.889 1 U 9.030e+02 0.00e+00 m 0 237 228 236 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9.400e+02 0.00e+00 m 0 970 1019 969 0 1239 9.225 7.290 127.773 4 U 8.000e+02 0.00e+00 m 0 0 0 0 0 1240 9.225 6.918 127.773 4 U 1.039e+03 0.00e+00 m 0 0 0 0 0 1241 9.225 5.067 127.773 1 U 3.936e+03 0.00e+00 m 0 970 946 969 0 1242 9.225 4.502 127.773 3 U 2.482e+03 0.00e+00 m 0 970 1021 969 0 1243 9.225 1.677 127.773 3 U 3.289e+03 0.00e+00 m 0 970 923 969 0 1244 9.225 1.413 127.773 3 U 2.022e+03 0.00e+00 m 0 970 1024 969 0 1245 9.225 1.245 127.773 1 U 1.957e+03 0.00e+00 m 0 970 949 969 0 1246 9.225 1.016 127.773 1 U 1.429e+03 0.00e+00 m 0 970 952 969 0 1247 9.225 0.752 127.773 4 U 1.120e+03 0.00e+00 m 0 0 0 0 0 1248 9.109 7.506 126.118 1 U 9.230e+02 0.00e+00 m 0 1005 1019 1004 0 1249 9.109 4.213 126.118 1 U 9.840e+02 0.00e+00 m 0 1005 1007 1004 0 1250 9.109 4.009 126.118 1 U 1.313e+03 0.00e+00 m 0 1005 1000 1004 0 1251 9.109 3.624 126.118 1 U 1.482e+03 0.00e+00 m 0 1005 1001 1004 0 1252 9.109 2.194 126.118 4 U 8.940e+02 0.00e+00 m 0 0 0 0 0 1253 9.109 1.882 126.118 1 U 7.070e+02 0.00e+00 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0.00e+00 m 0 1045 1024 1044 0 1269 9.357 1.149 123.498 3 U 8.080e+02 0.00e+00 m 0 1045 957 1044 0 1270 9.357 0.776 123.498 1 U 2.663e+03 0.00e+00 m 0 1045 1051 1044 0 1271 7.491 4.225 118.101 1 U 2.011e+03 0.00e+00 m 0 1019 1007 1018 0 1272 7.491 4.009 118.101 1 U 1.033e+03 0.00e+00 m 0 1019 1000 1018 0 1273 7.491 3.624 118.101 1 U 1.045e+03 0.00e+00 m 0 1019 1001 1018 0 1274 7.491 2.915 118.101 4 U 8.940e+02 0.00e+00 m 0 0 0 0 0 1275 7.491 2.182 118.101 1 U 1.596e+03 0.00e+00 m 0 1019 1009 1018 0 1276 7.491 1.918 118.101 1 U 4.260e+03 0.00e+00 m 0 1019 1023 1018 0 1277 7.491 1.713 118.101 1 U 2.232e+03 0.00e+00 m 0 1019 1033 1018 0 1278 7.491 1.413 118.101 1 U 4.601e+03 0.00e+00 m 0 1019 1024 1018 0 1279 7.491 0.896 118.101 1 U 1.307e+03 0.00e+00 m 0 1019 426 1018 0 1280 7.491 7.278 118.101 4 U 1.249e+03 0.00e+00 m 0 0 0 0 0 1281 7.491 9.165 118.101 4 U 1.988e+03 0.00e+00 m 0 0 0 0 0 1282 7.491 9.333 118.101 4 U 1.520e+03 0.00e+00 m 0 0 0 0 0 1283 8.874 9.273 122.182 1 U 1.925e+03 0.00e+00 m 0 1063 918 1062 0 1284 8.901 9.538 120.477 1 U 1.257e+03 0.00e+00 m 0 675 1601 674 0 1285 8.759 9.297 114.388 3 U 9.650e+02 0.00e+00 m 0 1108 918 1107 0 1286 8.925 4.418 125.554 1 U 1.038e+03 0.00e+00 m 0 1121 1112 1120 0 1287 9.365 5.043 117.843 1 U 1.191e+03 0.00e+00 m 0 1139 1141 1138 0 1288 9.501 6.990 127.320 2 U 9.230e+02 0.00e+00 m 0 1146 1198 1145 0 1289 10.446 8.192 130.181 1 U 1.175e+03 0.00e+00 m 0 1163 333 1158 0 1291 7.367 8.011 117.343 1 U 9.680e+02 0.00e+00 m 0 1184 1193 1183 0 1292 7.995 7.110 112.960 1 U 2.166e+04 0.00e+00 m 0 1193 1194 1192 0 1293 7.101 8.023 112.960 4 U 1.463e+04 0.00e+00 m 0 0 0 0 0 1294 8.901 8.095 120.477 1 U 1.389e+03 0.00e+00 m 0 1086 343 1085 0 1295 8.901 7.146 120.477 1 U 6.900e+02 0.00e+00 m 0 675 1608 674 0 1296 8.901 6.942 120.477 4 U 8.140e+02 0.00e+00 m 0 0 0 0 0 1297 8.901 5.271 120.477 1 U 3.709e+03 0.00e+00 m 0 1086 1065 1085 0 1298 8.901 0.307 120.477 2 U 1.578e+03 0.00e+00 m 0 1086 1095 1085 0 1299 8.901 0.572 120.477 1 U 2.070e+03 0.00e+00 m 0 1086 1096 1085 0 1300 8.901 0.836 120.477 1 U 2.158e+03 0.00e+00 m 0 675 663 674 0 1301 8.901 0.980 120.477 3 U 3.675e+03 0.00e+00 m 0 675 662 674 0 1302 8.901 2.519 120.477 1 U 2.891e+03 0.00e+00 m 0 1086 1069 1085 0 1303 8.901 1.305 120.477 2 U 2.454e+03 0.00e+00 m 0 1086 1094 1085 0 1304 8.901 1.401 120.477 4 U 1.820e+03 0.00e+00 m 0 0 0 0 0 1305 8.901 1.822 120.477 3 U 1.257e+03 0.00e+00 m 0 1086 383 1085 0 1306 8.901 2.074 120.477 1 U 1.323e+03 0.00e+00 m 0 1086 908 1085 0 1307 8.901 3.492 120.477 1 U 8.910e+02 0.00e+00 m 0 1086 367 1085 0 1308 8.901 3.841 120.477 4 U 6.760e+02 0.00e+00 m 0 0 0 0 0 1309 8.901 4.105 120.477 4 U 7.630e+02 0.00e+00 m 0 0 0 0 0 1310 8.759 5.415 114.388 1 U 9.000e+02 0.00e+00 m 0 1108 902 1107 0 1311 8.759 5.259 114.388 4 U 9.100e+02 0.00e+00 m 0 0 0 0 0 1312 8.759 5.019 114.388 1 U 3.173e+03 0.00e+00 m 0 1108 1088 1107 0 1313 8.759 4.718 114.388 4 U 1.329e+03 0.00e+00 m 0 0 0 0 0 1314 8.759 4.478 114.388 4 U 8.250e+02 0.00e+00 m 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1139 1127 1138 0 1330 9.501 7.374 127.320 1 U 5.880e+02 0.00e+00 m 0 1146 1184 1145 0 1331 9.501 4.754 127.320 4 U 8.730e+02 0.00e+00 m 0 0 0 0 0 1332 9.501 5.055 127.320 1 U 9.400e+02 0.00e+00 m 0 1146 1141 1145 0 1333 9.501 5.247 127.320 1 U 6.020e+02 0.00e+00 m 0 1146 856 1145 0 1334 9.501 4.430 127.320 1 U 1.888e+03 0.00e+00 m 0 1146 1148 1145 0 1335 9.501 3.456 127.320 1 U 2.309e+03 0.00e+00 m 0 1146 1150 1145 0 1336 9.501 3.096 127.320 1 U 2.735e+03 0.00e+00 m 0 1146 1151 1145 0 1337 9.501 1.076 127.3201 4.346 1.007 50.666 3 U 3.999e+03 0.00e+00 m 0 325 337 324 0 2552 4.346 0.850 50.666 3 U 4.669e+03 0.00e+00 m 0 325 320 324 0 2553 4.346 0.308 50.666 3 U 1.979e+03 0.00e+00 m 0 325 338 324 0 2554 4.346 2.638 50.666 3 U 1.965e+03 0.00e+00 m 0 325 335 324 0 2555 4.346 4.193 50.666 4 U 8.010e+03 0.00e+00 m 0 0 0 0 0 2556 4.346 4.798 50.666 4 U 3.721e+03 0.00e+00 m 0 0 0 0 0 2557 4.346 6.971 50.666 3 U 1.809e+03 0.00e+00 m 0 325 1027 324 0 2558 4.346 7.830 50.666 3 U 2.153e+04 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31.837 1 U 4.545e+05 0.00e+00 m 0 818 818 816 0 2649 1.725 0.979 31.747 4 U 1.191e+04 0.00e+00 m 0 0 0 0 0 2650 1.677 0.979 31.837 4 U 1.256e+04 0.00e+00 m 0 0 0 0 0 2651 1.677 1.299 31.837 3 U 4.081e+04 0.00e+00 m 0 0 0 0 0 2652 1.677 1.545 31.837 3 U 8.471e+04 0.00e+00 m 0 818 823 816 0 2653 1.725 1.545 31.747 3 U 7.599e+04 0.00e+00 m 0 817 823 816 0 2654 1.725 1.303 31.747 3 U 2.922e+04 0.00e+00 m 0 0 0 0 0 2655 1.725 3.192 31.747 1 U 6.998e+03 0.00e+00 m 0 817 825 816 0 2656 1.677 3.192 31.837 1 U 7.317e+03 0.00e+00 m 0 818 825 816 0 2657 1.725 4.205 31.747 1 U 1.348e+04 0.00e+00 m 0 817 815 816 0 2658 1.677 4.209 31.837 1 U 1.383e+04 0.00e+00 m 0 818 815 816 0 2660 3.110 3.110 43.819 1 U 1.928e+06 0.00e+00 m 0 826 826 824 0 2661 3.110 3.192 43.819 1 U 1.335e+06 0.00e+00 m 0 826 825 824 0 2662 3.192 3.107 43.819 1 U 3.286e+05 0.00e+00 m 0 825 826 824 0 2663 3.110 1.725 43.819 1 U 3.000e+04 0.00e+00 m 0 826 817 824 0 2664 3.110 1.540 43.819 1 U 5.999e+04 0.00e+00 m 0 826 823 824 0 2665 3.110 0.992 43.819 3 U 5.318e+03 0.00e+00 m 0 826 732 824 0 2666 3.110 0.874 43.819 3 U 5.166e+03 0.00e+00 m 0 826 864 824 0 2667 3.192 0.874 43.819 3 U 4.056e+03 0.00e+00 m 0 825 864 824 0 2668 3.110 4.195 43.819 3 U 7.280e+02 0.00e+00 m 0 826 815 824 0 2669 3.110 4.801 43.819 4 U 2.534e+03 0.00e+00 m 0 0 0 0 0 2670 3.110 6.530 43.819 3 U 2.178e+03 0.00e+00 m 0 826 795 824 0 2671 4.257 4.805 56.104 4 U 6.122e+03 0.00e+00 m 0 0 0 0 0 2672 4.257 8.145 56.104 3 U 6.821e+03 0.00e+00 m 0 129 127 128 0 2673 2.880 4.522 38.956 1 U 2.018e+04 0.00e+00 m 0 109 106 107 0 2674 3.022 6.794 38.956 3 U 2.787e+03 0.00e+00 m 0 108 112 107 0 2675 3.022 7.076 38.956 3 U 1.911e+04 0.00e+00 m 0 108 111 107 0 2676 2.880 7.076 38.956 3 U 1.754e+04 0.00e+00 m 0 109 111 107 0 2677 2.880 6.800 38.956 3 U 2.582e+03 0.00e+00 m 0 109 112 107 0 2678 4.356 8.041 58.433 3 U 2.558e+03 0.00e+00 m 0 96 104 95 0 2679 4.330 8.187 55.388 3 U 1.869e+03 0.00e+00 m 0 74 0 73 0 2680 4.330 7.586 55.388 4 U 1.650e+03 0.00e+00 m 0 0 0 0 0 2681 4.417 8.332 58.148 3 U 3.293e+03 0.00e+00 m 0 64 62 63 0 2682 4.067 8.323 62.495 3 U 5.190e+03 0.00e+00 m 0 46 62 45 0 2683 1.683 1.205 29.883 4 U 2.818e+04 0.00e+00 m 0 0 0 0 0 2684 1.683 2.840 29.883 3 U 1.520e+04 0.00e+00 m 0 759 762 756 0 2685 1.683 4.945 29.883 3 U 8.635e+03 0.00e+00 m 0 759 373 756 0 2686 1.683 8.482 29.883 3 U 3.418e+03 0.00e+00 m 0 759 745 756 0 2687 2.173 7.903 29.896 3 U 8.941e+03 0.00e+00 m 0 1074 1084 1073 0 2688 2.173 8.049 29.896 3 U 1.367e+04 0.00e+00 m 0 1074 1070 1073 0 2689 2.060 7.909 29.896 3 U 2.722e+04 0.00e+00 m 0 1134 1129 1132 0 2690 2.060 8.060 29.896 3 U 1.745e+04 0.00e+00 m 0 1075 1070 1073 0 2691 2.055 2.055 29.708 1 U 2.142e+05 0.00e+00 m 0 1134 1134 1132 0 2692 2.121 2.121 29.708 1 U 1.507e+05 0.00e+00 m 0 1133 1133 1132 0 2693 2.121 2.055 29.708 1 U 1.307e+05 0.00e+00 m 0 1133 0 1132 0 2694 2.055 2.121 29.708 1 U 2.345e+05 0.00e+00 m 0 1134 0 1132 0 2695 2.055 2.239 29.708 1 U 7.672e+04 0.00e+00 m 0 0 0 0 0 2696 2.121 2.239 29.708 1 U 3.554e+04 0.00e+00 m 0 0 0 0 0 2697 2.121 2.395 29.708 1 U 1.416e+04 0.00e+00 m 0 0 0 0 0 2698 2.055 2.397 29.708 1 U 2.349e+04 0.00e+00 m 0 0 0 0 0 2699 2.121 3.994 29.708 1 U 9.441e+03 0.00e+00 m 0 1133 1131 1132 0 2700 2.055 3.994 29.708 1 U 1.359e+04 0.00e+00 m 0 1134 1131 1132 0 2701 2.121 7.598 29.708 3 U 3.004e+03 0.00e+00 m 0 1133 1143 1132 0 2702 2.055 7.593 29.708 3 U 3.897e+03 0.00e+00 m 0 1134 1143 1132 0 2703 2.055 7.918 29.708 3 U 1.340e+04 0.00e+00 m 0 1134 1201 1132 0 2704 2.121 7.913 29.708 3 U 8.953e+03 0.00e+00 m 0 1133 1129 1132 0 2705 2.187 7.538 35.396 4 U 2.659e+03 0.00e+00 m 0 0 0 0 0 2706 2.187 8.661 35.396 3 U 3.749e+03 0.00e+00 m 0 849 841 848 0 2707 2.187 9.026 35.396 4 U 6.009e+03 0.00e+00 m 0 0 0 0 0 2708 2.095 7.538 35.396 4 U 2.562e+03 0.00e+00 m 0 0 0 0 0 2709 2.095 8.667 35.396 3 U 3.658e+03 0.00e+00 m 0 850 841 848 0 2710 2.095 9.033 35.396 3 U 5.873e+03 0.00e+00 m 0 850 859 848 0 2711 2.394 4.591 36.691 4 U 2.550e+03 0.00e+00 m 0 0 0 0 0 2712 2.394 7.622 36.691 4 U 2.582e+03 0.00e+00 m 0 0 0 0 0 2713 2.394 7.893 36.691 3 U 8.248e+03 0.00e+00 m 0 1137 1129 1136 0 2714 2.394 8.056 36.691 3 U 1.200e+04 0.00e+00 m 0 1078 1070 1077 0 2715 2.217 4.609 36.691 3 U 2.320e+03 0.00e+00 m 0 1079 1009 1077 0 2716 2.217 8.054 36.691 3 U 9.271e+03 0.00e+00 m 0 1079 1070 1077 0 2717 4.079 7.903 59.152 3 U 5.977e+03 0.00e+00 m 0 1072 1084 1071 0 2718 4.079 8.050 59.152 3 U 1.051e+04 0.00e+00 m 0 1072 1070 1071 0 2719 1.725 8.008 31.747 4 U 1.274e+04 0.00e+00 m 0 0 0 0 0 2720 1.677 8.016 31.837 4 U 1.468e+04 0.00e+00 m 0 0 0 0 0 2721 1.677 8.658 31.837 3 U 4.957e+03 0.00e+00 m 0 818 841 816 0 2722 1.725 8.665 31.747 3 U 4.772e+03 0.00e+00 m 0 817 841 816 0 2723 0.757 8.488 22.981 3 U 1.109e+04 0.00e+00 m 0 733 745 738 0 2724 0.757 9.009 22.981 3 U 9.100e+03 0.00e+00 m 0 733 723 738 0 2725 0.757 9.292 22.981 4 U 5.061e+03 0.00e+00 m 0 0 0 0 0 2726 0.794 6.762 23.237 3 U 6.516e+03 0.00e+00 m 0 1117 1092 1122 0 2727 0.794 7.060 23.237 3 U 1.158e+04 0.00e+00 m 0 1117 1091 1122 0 2728 0.794 7.893 23.237 3 U 4.749e+03 0.00e+00 m 0 1117 1129 1122 0 2729 0.794 8.458 23.237 3 U 7.453e+03 0.00e+00 m 0 1117 1107 1122 0 2730 3.792 3.792 63.870 1 U 2.254e+06 0.00e+00 m 0 68 68 65 0 2731 2.674 7.275 40.194 1 U 1.395e+03 0.00e+00 m 0 0 0 0 0 2732 4.428 8.292 63.167 1 U 1.663e+04 0.00e+00 m 0 30 44 29 0 2733 0.845 4.740 62.223 1 U -5.977e+03 0.00e+00 m 0 682 648 674 0 2734 0.845 4.608 62.223 1 U -4.414e+03 0.00e+00 m 0 682 489 674 0 2735 0.845 5.638 62.223 1 U -3.516e+03 0.00e+00 m 0 682 879 674 0 2736 0.845 8.836 62.223 1 U -2.012e+04 0.00e+00 m 0 682 667 674 0 2737 0.845 9.038 62.223 1 U -8.941e+03 0.00e+00 m 0 682 461 674 0 2738 0.845 9.308 62.223 1 U -6.371e+03 0.00e+00 m 0 682 685 674 0 2739 2.669 7.610 39.091 1 U 3.377e+03 0.00e+00 m 0 804 808 802 0 2740 2.669 7.965 39.091 1 U 2.811e+03 0.00e+00 m 0 804 0 802 0 2741 4.197 7.586 57.084 1 U 3.863e+03 0.00e+00 m 0 815 808 814 0 2742 3.699 0.846 44.682 1 U 2.502e+03 0.00e+00 m 0 0 0 0 0 2743 0.630 9.316 54.580 1 U -1.812e+03 0.00e+00 m 0 900 685 901 0 2747 2.630 7.171 42.361 1 U 2.598e+03 0.00e+00 m 0 0 0 0 0 2748 2.630 6.984 42.361 1 U 1.854e+03 0.00e+00 m 0 0 0 0 0 2749 2.630 8.060 42.361 1 U 1.917e+03 0.00e+00 m 0 911 933 910 0 2750 1.689 7.173 31.649 1 U 2.439e+03 0.00e+00 m 0 939 0 936 0 2751 3.916 6.362 60.116 1 U 1.778e+03 0.00e+00 m 0 983 0 982 0 2752 3.916 8.050 60.116 1 U 2.002e+03 0.00e+00 m 0 983 1070 982 0 2753 3.916 8.805 60.116 1 U 1.974e+03 0.00e+00 m 0 983 981 982 0 2754 3.606 2.656 27.954 1 U 2.391e+03 0.00e+00 m 0 1011 0 1010 0 2755 0.077 6.357 53.391 1 U -3.076e+03 0.00e+00 m 0 1045 1031 1046 0 2757 0.077 7.138 53.391 1 U -2.278e+03 0.00e+00 m 0 1045 959 1046 0 2760 3.814 1.492 59.663 1 U 1.622e+04 0.00e+00 m 0 1054 0 1053 0 2762 3.272 0.090 38.956 1 U 3.072e+03 0.00e+00 m 0 1090 1045 1087 0 2767 1.185 6.767 60.516 1 U -4.777e+03 0.00e+00 m 0 1172 1092 1173 0 2768 1.185 7.074 60.516 1 U -2.904e+03 0.00e+00 m 0 1172 1091 1173 0 2769 1.185 7.613 60.516 1 U -1.548e+03 0.00e+00 m 0 1172 0 1173 0 2770 1.185 7.942 60.516 1 U -3.145e+04 0.00e+00 m 0 1172 1169 1173 0 2771 2.265 0.831 32.484 1 U 1.112e+04 0.00e+00 m 0 168 0 167 0 #!/bin/csh rm *.viol rm *.upl rm *.cor rm *.out rm *.ovw rm *.loners rm *.ps rm *.ang rm *.log info := normal name := sdf1a tf_type := 2 cut_tf := 1000.0 seed := 35621 cut_upl := 0.1 cut_aco := 2.0 cyanalib #dyanalib read seq ./sdf1a.seq read prot ./sdf1a.prot atom shift check read peaks ./c13no_ed.peaks assigned integrated peak set volume=abs(volume) #caliba caliba bb=2.0E+07 dmax=5.5 write upl c13no_cal.upl distance delete read peaks ./no15n_ed.peaks assigned integrated peak set volume=abs(volume) #caliba caliba bb=9.5E+06 dmax=5.5 write upl n15no_cal.upl distance delete read peaks ./c13no_ar_ed.peaks assigned integrated peak set volume=abs(volume) #caliba caliba bb=1.5E+06 dmax=5.5 write upl c13no_ar_cal.upl distance delete read upl c13no_cal.upl read upl n15no_cal.upl append read upl c13no_ar_cal.upl append distance modify distance check write upl sdf1a.upl #read upl cycle7.upl read aco sdf1a.aco ssbond 9-34 ssbond 11-50 #distance select all distance stat #dcostat ctmoc_dco #seqplot ctmoc_seq nproc=4 calc_all 100 command=anneal steps=10000 overview structures=20 range=8..66 cor full vdw ramachandran file=rama nobackground label 1 LYS+ HN 1 LYS+ HA 5.50 #peak 111 3 VAL HN 3 VAL HA 3.95 #peak 115 3 VAL HN 3 VAL HB 3.86 #peak 116 4 SER HN 4 SER HA 4.94 #peak 119 4 SER HN 4 SER QB 6.38 #peak 120 5 LEU HN 5 LEU HA 5.38 #peak 121 6 SER HN 6 SER HA 5.04 #peak 124 6 SER HN 6 SER QB 6.38 #peak 125 7 TYR HN 7 TYR HA 4.63 #peak 126 7 TYR HN 7 TYR HB2 4.85 #peak 127 7 TYR HN 7 TYR HB3 4.51 #peak 128 8 ARG+ HN 8 ARG+ HA 5.16 #peak 129 8 ARG+ HN 8 ARG+ HB3 5.10 #peak 130 9 CYSS HN 9 CYSS HA 5.13 #peak 133 9 CYSS HN 9 CYSS HB2 5.41 #peak 134 9 CYSS HN 9 CYSS HB3 4.76 #peak 135 11 CYSS HN 11 CYSS HA 3.76 #peak 136 11 CYSS HN 11 CYSS HB3 3.64 #peak 137 13 PHE HN 13 PHE HA 4.07 #peak 138 13 PHE HN 13 PHE HB2 3.95 #peak 139 13 PHE HN 13 PHE HB3 3.73 #peak 140 14 PHE HN 14 PHE HA 4.07 #peak 141 14 PHE HN 14 PHE HB3 3.52 #peak 142 15 GLU- HN 15 GLU- HA 3.30 #peak 143 15 GLU- HN 15 GLU- HB2 3.55 #peak 145 15 GLU- HN 15 GLU- HB3 3.33 #peak 146 16 SER HN 16 SER HA 4.26 #peak 147 16 SER HN 16 SER HB2 4.32 #peak 148 16 SER HN 16 SER HB3 4.07 #peak 149 17 HIS+ HN 17 HIS+ HA 5.07 #peak 150 17 HIS+ HN 17 HIS+ HB2 5.50 #peak 151 17 HIS+ HN 17 HIS+ HB3 5.50 #peak 152 18 VAL HN 18 VAL HA 3.45 #peak 153 18 VAL HN 18 VAL HB 3.27 #peak 154 19 ALA HN 19 ALA HA 3.73 #peak 156 20 ARG+ HN 20 ARG+ HB2 3.42 #peak 160 21 ALA HN 21 ALA HA 3.55 #peak 162 22 ASN HN 22 ASN HA 3.61 #peak 164 22 ASN HN 22 ASN HB2 3.33 #peak 165 22 ASN HN 22 ASN HB3 3.08 #peak 166 23 VAL HN 23 VAL HA 3.45 #peak 167 23 VAL HN 23 VAL HB 2.96 #peak 168 24 LYS+ HN 24 LYS+ HA 2.90 #peak 170 25 HIS+ HN 25 HIS+ HA 3.67 #peak 174 25 HIS+ HN 25 HIS+ HB3 4.07 #peak 175 27 LYS+ HN 27 LYS+ HA 4.14 #peak 176 28 ILE HN 28 ILE HA 3.27 #peak 180 28 ILE HN 28 ILE HB 3.39 #peak 181 29 LEU HN 29 LEU HA 3.89 #peak 183 29 LEU HN 29 LEU QB 5.04 #peak 184 30 ASN HN 30 ASN HA 5.50 #peak 185 31 THR HN 31 THR HA 4.42 #peak 189 31 THR HN 31 THR HB 3.89 #peak 190 33 ASN HN 33 ASN HA 3.86 #peak 192 33 ASN HN 33 ASN HB3 5.13 #peak 193 34 CYSS HN 34 CYSS HB2 3.70 #peak 196 34 CYSS HN 34 CYSS HB3 3.36 #peak 197 35 ALA HN 35 ALA HA 3.70 #peak 198 36 LEU HN 36 LEU HA 3.14 #peak 200 36 LEU HN 36 LEU HB2 3.08 #peak 201 37 GLN HN 37 GLN HA 4.07 #peak 206 37 GLN HN 37 GLN HB2