NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 Q 4.3417 8.3449 119.1189 54.6709 29.8840 174.4384 7 I 3.9996 8.1562 123.2002 58.7296 38.1311 173.7514 8 P 4.4117 0.0000 0.0000 61.5602 32.8343 173.7933 9 P 4.2943 0.0000 0.0000 64.3487 31.8321 176.6813 10 G 4.0243 8.5111 110.2818 45.8162 0.0000 175.5072 11 L 3.9148 7.7878 121.7321 58.5506 42.0233 179.0672 12 T 3.9604 7.8790 109.2635 64.7677 68.7676 176.0220 13 E 3.9729 8.2071 120.9681 59.0577 29.6417 178.7937 14 L 4.1364 7.9997 120.2605 58.4321 42.1642 179.1300 15 L 4.2742 8.1424 118.8134 57.9895 41.4791 179.5938 16 Q 4.1813 8.6757 118.6168 58.7433 28.0921 178.9517 17 G 3.6613 8.3125 106.9639 47.8490 0.0000 175.2309 18 Y 2.7875 7.8013 121.5002 60.2265 38.8038 178.0068 19 T 3.5909 8.2220 117.3037 66.6536 68.7440 176.8013 20 V 3.5855 8.0160 121.2647 65.0368 31.1805 178.2563 21 E 3.9471 7.7180 118.2362 58.8283 29.3394 179.1428 22 V 3.0994 7.3859 118.3746 66.0384 31.2505 178.1829 23 L 3.9095 7.5200 117.2229 57.5034 41.4662 179.2603 24 R 3.9754 7.5202 117.4203 59.4286 30.2746 178.1142 25 Q 3.9927 8.3306 115.8269 55.6837 30.1742 175.8251 26 Q 3.2282 7.6373 118.3268 56.0996 27.0650 172.2459 27 P 4.3078 0.0000 0.0000 61.5769 32.6783 176.5130 28 P 4.1162 0.0000 0.0000 65.1899 31.5943 176.7206 29 D 4.7838 7.6526 115.7198 51.5371 44.3818 176.0293 30 L 4.2361 8.6329 127.0111 57.8098 41.8046 179.6856 31 V 3.6703 7.9014 117.8310 66.1043 31.6437 177.5195 32 D 4.4345 8.7196 118.8912 57.5828 40.6227 178.7560 33 F 4.5336 8.5397 120.8103 61.1236 39.3521 176.9174 34 A 3.9744 8.4773 120.6034 55.1605 18.1926 179.6265 35 V 3.5722 7.8001 116.5436 66.2723 31.5562 177.6953 36 E 3.8729 8.0982 118.1378 59.7367 29.4059 178.6759 37 Y 3.5958 8.2003 120.0201 60.9120 38.7648 178.5139 38 F 4.0997 8.0890 118.3291 60.3467 39.0322 178.0533 39 T 3.8271 7.8965 115.6898 66.8335 68.3112 176.8909 40 R 4.1435 7.9931 121.4129 58.4861 29.9110 178.9570 41 L 3.7644 7.5465 120.2915 57.9764 41.9931 179.0020 42 R 3.8594 7.9632 118.7391 59.3417 29.4787 178.4053 43 E 3.8963 8.1199 118.0468 59.2944 29.4348 178.9747 44 A 3.9802 8.3298 121.2364 55.2005 18.3477 179.6370 45 R 3.8650 8.3039 119.6021 60.2840 30.1695 179.5912 46 R 4.0491 8.2357 120.6346 61.2903 29.3324 180.6986 47 G 3.8500 8.3161 106.8706 47.6122 0.0000 175.5388 48 L 3.9976 8.0377 121.8340 57.8243 41.5209 179.7472 49 E 4.0449 8.1509 116.6911 59.4005 29.3619 178.7190 50 H 4.3190 8.2396 117.9926 59.2046 30.0417 176.1420 51 H 4.2061 8.1686 121.6325 58.6245 29.7363 175.0514 *52 H 4.2140 7.9200 119.5517 55.3481 29.8596 175.7375 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 6 Q 8.34 4.34 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.86 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 7 I 8.16 4.00 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.08 0.92 0.00 0.00 8 P 0.00 4.41 0.00 2.17 1.96 0.00 3.60 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 9 P 0.00 4.29 0.00 2.18 2.06 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 10 G 8.51 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.79 3.91 0.00 1.72 1.78 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 12 T 7.88 3.96 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 13 E 8.21 3.97 0.00 2.28 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 14 L 8.00 4.14 0.00 2.05 1.97 1.20 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.14 4.27 0.00 1.97 1.82 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.68 4.18 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 17 G 8.31 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 7.80 2.79 0.00 2.47 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.22 3.59 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 20 V 8.02 3.59 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.90 0.00 0.00 21 E 7.72 3.95 0.00 2.09 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.69 0.00 22 V 7.39 3.10 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.32 0.00 0.00 23 L 7.52 3.91 0.00 1.73 1.64 0.87 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.52 3.98 0.00 1.79 1.88 0.00 3.23 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 25 Q 8.33 3.99 0.00 1.59 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.34 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 26 Q 7.64 3.23 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.87 0.00 0.00 0.00 0.00 0.00 2.22 2.17 0.00 27 P 0.00 4.31 0.00 2.11 1.67 0.00 3.48 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.10 0.00 28 P 0.00 4.12 0.00 2.20 2.22 0.00 3.67 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 29 D 7.65 4.78 0.00 2.85 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.63 4.24 0.00 1.85 1.91 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.90 3.67 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.99 0.00 0.00 32 D 8.72 4.43 0.00 2.99 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.54 4.53 0.00 3.27 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.48 3.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.80 3.57 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.01 0.00 0.00 36 E 8.10 3.87 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 37 Y 8.20 3.60 0.00 1.83 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 F 8.09 4.10 0.00 3.18 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 T 7.90 3.83 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 40 R 7.99 4.14 0.00 1.74 1.85 0.00 3.09 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.55 0.00 41 L 7.55 3.76 0.00 1.26 1.64 0.85 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.96 3.86 0.00 1.93 2.14 0.00 3.14 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 43 E 8.12 3.90 0.00 2.22 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 44 A 8.33 3.98 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.30 3.86 0.00 1.97 2.13 0.00 3.11 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 46 R 8.24 4.05 0.00 1.86 1.92 0.00 3.33 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 47 G 8.32 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.04 4.00 0.00 1.91 1.74 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.15 4.04 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 50 H 8.24 4.32 0.00 3.24 3.49 0.00 5.78 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 H 8.17 4.21 0.00 3.28 3.57 0.00 6.06 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *52 H 7.92 4.21 0.00 2.96 2.74 0.00 7.29 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.