NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.5235 8.3493 119.5523 53.1059 40.8305 174.6529 4 H 4.3148 8.6791 116.3376 56.5191 29.7362 169.2038 5 V 4.4230 8.2412 118.4690 62.1334 35.4673 173.6796 6 Y 5.1816 8.7714 124.4890 56.0405 41.4402 174.6347 7 K 4.4575 8.2348 123.1151 54.5675 35.1954 174.7157 8 I 4.7993 8.1662 126.4578 59.6247 39.3339 175.2690 9 V 4.5500 8.7203 120.0624 59.4747 35.1397 174.2050 10 E 5.0644 8.7185 123.9807 54.7129 30.9711 174.9379 11 L 4.9697 8.9551 126.1395 53.1036 46.4610 175.3972 12 T 4.8986 8.4530 114.9583 60.4602 69.6866 173.4522 13 G 4.1257 8.9373 116.4843 45.3111 0.0000 172.1453 14 S 5.7391 8.0541 115.1441 55.6478 65.9039 173.0718 15 S 4.7758 8.2639 115.7897 57.1057 65.1980 174.0805 16 P 4.8898 0.0000 0.0000 63.4370 31.6204 176.3246 17 N 4.6704 10.0750 116.8347 52.9255 40.1683 175.4839 18 G 2.8595 7.3492 103.6794 44.0398 0.0000 172.8338 19 I 3.6062 7.3088 119.8265 64.5731 37.1231 178.1838 20 E 3.9373 8.0081 118.8414 59.5231 29.1710 179.3248 21 E 3.8860 7.9763 117.7328 59.2323 29.7754 178.8213 22 A 4.1601 7.9675 120.7790 55.5393 18.4117 180.2078 23 V 3.4933 7.7427 110.7191 64.4126 31.6039 178.4100 24 N 4.1871 8.1265 116.2749 56.4907 38.3794 176.9568 25 N 4.2646 8.4228 117.7197 56.4143 38.5135 177.3125 26 A 3.9492 7.7139 121.4970 55.2308 18.4520 179.8232 27 I 3.6109 8.1378 118.5965 64.0681 37.1981 178.3307 28 A 3.9254 8.4165 122.0853 55.4883 16.8520 179.9613 29 R 3.8690 8.1566 115.8604 59.1058 30.0171 179.2096 30 A 4.3195 7.7419 120.8900 54.7873 18.3061 179.8796 31 G 3.5432 7.9926 103.4045 47.5687 0.0000 175.5108 32 E 4.0581 7.8284 120.0337 59.4783 29.6272 178.5302 33 T 4.2460 7.1151 110.1480 61.6779 68.2757 174.0590 34 L 4.4980 7.7925 119.8999 52.5605 44.1724 175.4334 35 R 4.4573 7.2653 114.6102 55.9439 32.7433 174.2519 36 H 4.0989 8.6230 113.8999 56.9795 25.5498 175.4316 37 L 4.5714 7.9757 118.7779 55.3334 42.3443 176.7634 38 R 4.8440 9.2694 122.9023 57.1705 31.7743 176.3851 39 W 5.5787 7.7959 113.9741 55.0099 32.0363 172.9876 40 F 5.4180 8.5209 114.4622 55.3304 41.3141 173.4501 41 E 4.5893 9.3479 119.7755 54.4246 33.0879 174.2994 42 V 4.4006 8.7089 127.6531 63.1445 31.4924 175.9308 43 V 4.0427 8.6790 128.5430 63.4245 32.6192 176.1187 44 D 4.5229 7.3421 117.6440 53.9011 44.3217 174.8947 45 T 5.1090 8.8490 121.7754 62.1221 71.5057 173.2187 46 R 4.7184 9.2014 124.9552 55.0969 35.1483 173.8530 47 G 4.0536 8.0631 104.9897 44.4524 0.0000 172.2287 48 H 4.9341 8.3736 120.3212 54.5148 31.9840 173.5331 49 I 4.8627 7.8406 125.2646 59.4358 39.3393 174.6834 50 E 4.5748 9.1191 127.5118 55.1452 33.3156 175.1298 51 G 3.7767 8.5910 113.7358 47.3423 0.0000 174.7183 52 G 4.1905 8.6661 109.2537 44.7625 0.0000 172.5262 53 R 4.5865 7.7836 114.7783 53.3133 32.6104 174.5381 54 V 3.8669 8.3332 120.1480 63.2857 31.7266 175.1872 55 N 4.8904 8.7831 124.1419 53.2718 39.7789 174.1987 56 H 5.1489 7.7454 116.5676 54.0090 33.6714 172.0132 57 W 4.9361 9.7390 123.4908 55.3323 31.1313 175.2536 58 Q 4.8181 9.4989 124.2400 54.3326 31.2062 174.5380 59 V 4.5430 8.6983 125.2907 61.3271 33.8517 174.3080 60 T 5.1519 8.9071 123.4841 60.8420 69.5823 173.6000 61 V 5.0062 8.8985 126.0862 60.3273 35.5504 173.3667 62 K 4.9769 9.5044 122.4266 54.7551 34.7965 175.1143 63 V 4.5433 8.9661 125.7665 60.9298 34.1874 174.2854 64 G 3.2361 8.5517 115.8315 43.9426 0.0000 172.3347 65 F 5.6606 8.2899 118.5980 55.2150 41.8911 173.9398 66 T 4.1458 8.8863 118.6460 63.7543 68.8586 173.9879 67 L 4.1384 8.3748 127.4564 54.8188 42.0876 174.5932 68 E 4.1856 9.2421 120.6712 56.8839 32.3337 176.1521 *69 G 3.7113 8.2436 112.2476 45.0125 0.0000 172.3640 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 3 D 8.35 4.52 0.00 2.71 2.35 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 0.00 4 H 8.68 4.31 0.00 2.77 3.16 0.00 5.71 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.24 4.42 1.99 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 0.89 0.00 0.00 0.91 0.00 0.00 6 Y 8.77 5.18 0.00 2.96 2.83 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 7 K 8.23 4.46 0.00 1.35 0.74 0.00 1.55 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.23 1.27 7.81 8 I 8.17 4.80 1.85 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.73 0.86 0.00 0.00 9 V 8.72 4.55 2.14 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 0.88 0.00 0.00 1.06 0.00 0.00 10 E 8.72 5.06 0.00 1.97 1.85 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 2.21 2.33 0.00 11 L 8.96 4.97 0.00 1.56 1.47 0.88 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.45 4.90 4.26 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 1.21 0.00 0.00 13 G 8.94 4.13 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 14 S 8.05 5.74 0.00 3.85 3.71 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 15 S 8.26 4.78 0.00 3.92 3.72 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 16 P 0.00 4.89 0.00 2.27 2.26 0.00 3.46 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 17 N 10.08 4.67 0.00 2.65 2.85 0.00 0.00 6.87 7.69 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 G 7.35 2.86 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 19 I 7.31 3.61 1.70 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.04 0.91 0.00 0.00 20 E 8.01 3.94 0.00 1.98 1.96 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 2.46 0.00 21 E 7.98 3.89 0.00 2.14 1.96 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 22 A 7.97 4.16 1.52 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 23 V 7.74 3.49 1.74 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 0.78 0.00 0.00 0.37 0.00 0.00 24 N 8.13 4.19 0.00 2.95 2.82 0.00 0.00 7.02 6.53 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 25 N 8.42 4.26 0.00 2.89 2.85 0.00 0.00 6.94 7.44 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 26 A 7.71 3.95 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 27 I 8.14 3.61 1.78 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.43 0.84 0.00 0.00 28 A 8.42 3.93 1.32 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 29 R 8.16 3.87 0.00 1.95 1.96 0.00 3.26 0.00 0.00 3.14 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 30 A 7.74 4.32 1.24 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 31 G 7.99 3.54 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 32 E 7.83 4.06 0.00 2.10 1.99 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 2.31 2.43 0.00 33 T 7.12 4.25 4.18 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 1.20 0.00 0.00 34 L 7.79 4.50 0.00 1.30 0.84 0.65 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.27 4.46 0.00 1.60 1.71 0.00 3.11 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.82 0.00 36 H 8.62 4.10 0.00 3.62 3.56 0.00 5.81 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.98 4.57 0.00 1.68 1.67 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 38 R 9.27 4.84 0.00 2.09 2.34 0.00 3.52 0.00 0.00 3.47 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 39 W 7.80 5.58 0.00 3.29 3.20 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 40 F 8.52 5.42 0.00 3.06 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 41 E 9.35 4.59 0.00 2.12 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 0.00 2.26 2.27 0.00 42 V 8.71 4.40 2.19 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 0.93 0.00 0.00 1.16 0.00 0.00 43 V 8.68 4.04 2.12 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 0.74 0.00 0.00 0.97 0.00 0.00 44 D 7.34 4.52 0.00 2.81 2.53 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 T 8.85 5.11 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 1.45 0.00 0.00 46 R 9.20 4.72 0.00 1.66 1.79 0.00 3.29 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 47 G 8.06 4.05 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 0.00 0.00 0.00 48 H 8.37 4.93 0.00 3.22 3.29 0.00 5.55 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.84 4.86 1.74 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.60 0.86 0.00 0.00 50 E 9.12 4.57 0.00 2.13 1.71 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 2.19 2.26 0.00 51 G 8.59 3.78 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 52 G 8.67 4.19 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 53 R 7.78 4.59 0.00 1.95 1.97 0.00 2.78 0.00 0.00 3.09 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.79 0.00 54 V 8.33 3.87 1.84 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 -0.16 0.00 0.00 0.56 0.00 0.00 55 N 8.78 4.89 0.00 2.68 2.96 0.00 0.00 6.28 7.18 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 56 H 7.75 5.15 0.00 3.10 3.18 0.00 5.80 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 W 9.74 4.94 0.00 3.37 3.19 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 58 Q 9.50 4.82 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 59 V 8.70 4.54 2.12 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 1.09 0.00 0.00 60 T 8.91 5.15 4.26 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 1.31 0.00 0.00 61 V 8.90 5.01 2.09 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 0.61 0.00 0.00 1.08 0.00 0.00 62 K 9.50 4.98 0.00 1.70 1.74 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.37 7.81 63 V 8.97 4.54 2.09 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 0.93 0.00 0.00 0.91 0.00 0.00 64 G 8.55 3.24 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 65 F 8.29 5.66 0.00 3.28 3.07 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 66 T 8.89 4.15 4.29 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 0.98 0.00 0.00 67 L 8.37 4.14 0.00 1.61 1.59 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 68 E 9.24 4.19 0.00 2.02 1.80 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 2.14 2.35 0.00 *69 G 8.24 3.71 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 * Residues marked with a * may have inaccurate shift predictions.