NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4254 8.1233 122.4744 51.7897 20.9303 175.1595 2 K 5.0913 8.2572 117.3475 54.4709 36.2027 173.6860 3 Y 5.2052 9.1677 121.2066 56.1552 42.5741 174.4057 4 V 4.9001 8.8245 122.8557 60.0340 34.6605 174.3620 5 C 3.6168 8.8956 124.8861 58.5203 31.6730 174.3886 6 K 4.0299 8.8520 127.2124 59.2505 31.6964 179.0371 7 I 3.9260 7.8146 120.5489 63.6044 37.3370 176.4170 8 C 4.6053 8.2022 110.8040 57.4651 31.0008 174.6367 9 G 3.9620 8.2025 108.8254 44.8358 0.0000 173.0817 10 Y 4.3028 7.8930 121.5461 57.8240 40.1962 174.5491 11 I 4.7502 7.5955 126.5499 59.6573 39.1988 174.4549 12 Y 4.2749 9.4337 130.3434 56.9383 39.9977 173.4378 13 D 4.8459 7.7959 126.9125 52.3265 42.8435 176.5164 14 E 3.8969 8.8427 126.4821 59.6359 30.0348 179.4021 15 D 4.5009 8.4296 118.2676 56.1801 41.1552 177.0060 16 A 4.2846 7.6971 120.4878 51.3123 20.5076 178.3818 17 G 4.1217 7.9387 104.1789 45.4207 0.0000 173.1430 18 D 4.9653 8.4892 112.2147 51.8666 42.1500 174.7747 19 P 4.3607 0.0000 0.0000 66.0185 31.6524 179.2671 20 D 4.5128 8.2705 116.9747 56.2775 40.8268 176.5668 21 N 4.9471 8.2688 115.9824 52.9983 39.1017 175.2580 22 G 3.8188 8.3771 104.6941 45.6064 0.0000 174.1691 23 V 4.1805 7.5817 119.6565 60.4505 32.6811 175.3157 24 S 4.6570 8.3149 122.1540 56.8228 64.0275 171.9117 25 P 4.2136 0.0000 0.0000 64.3472 31.4136 177.0407 26 G 3.9936 9.0579 111.5748 45.4390 0.0000 173.8732 27 T 4.0176 7.2737 117.4699 62.9917 68.8921 174.7995 28 K 4.4108 8.4748 126.2641 55.9605 33.1576 177.6971 29 F 3.4476 9.3966 124.9763 61.3195 39.2853 177.5884 30 E 3.9135 8.1006 118.3900 59.0258 29.3622 177.5965 31 E 4.1459 7.6832 116.3477 57.0788 30.0245 177.0427 32 I 3.4956 6.6789 120.2999 59.9963 37.7507 174.2839 33 P 4.2722 0.0000 0.0000 62.8170 31.7129 177.3154 34 D 4.3677 8.6228 121.2798 57.0117 40.8468 177.1698 35 D 4.6097 7.8998 116.1488 53.2079 40.1872 176.4617 36 W 4.2099 7.8993 130.9081 57.5059 31.1905 175.1776 37 V 4.2355 6.7748 116.4585 58.6562 35.2336 174.9022 38 C 3.6812 8.4653 121.8899 59.1737 31.4874 173.0333 39 P 4.1448 0.0000 0.0000 64.8717 31.4036 177.5004 40 I 3.9683 7.3783 119.4985 63.3073 37.5694 176.3098 41 C 4.4501 7.9393 110.8709 57.4161 30.6106 174.6141 42 G 3.7506 8.0628 108.6402 45.1971 0.0000 173.7029 43 A 4.0754 7.5306 123.2832 51.1077 19.2072 176.0515 44 P 4.8500 0.0000 0.0000 61.9190 32.6611 177.4808 45 K 4.3669 8.8312 118.0778 59.6251 32.0256 179.6258 46 S 4.3593 8.3145 112.2130 60.8150 63.1166 174.5753 47 E 4.5549 8.6733 120.3110 56.2225 29.2865 175.0730 48 F 5.3201 8.1225 117.2335 55.9341 41.5586 174.9181 49 E 4.7561 9.0506 121.4896 54.1660 33.0202 174.5735 50 K 3.5580 8.6313 128.2066 56.1253 33.0984 175.7541 51 L 4.2496 8.3699 130.7385 53.9906 42.6044 177.3986 *52 E 4.1261 8.6961 119.2557 56.1176 30.4143 171.9589 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 1 A 8.12 4.43 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.26 5.09 0.00 1.70 1.65 0.00 1.57 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.51 7.81 3 Y 9.17 5.21 0.00 2.86 2.84 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 0.00 0.00 0.00 0.00 4 V 8.82 4.90 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 0.80 0.00 0.00 0.98 0.00 0.00 5 C 8.90 3.62 0.00 2.39 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.85 4.03 0.00 1.69 1.83 0.00 1.75 0.00 0.00 1.90 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.51 7.81 7 I 7.81 3.93 1.80 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.71 0.88 0.00 0.00 8 C 8.20 4.61 0.00 3.04 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.20 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 7.89 4.30 0.00 3.15 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.60 4.75 1.70 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.98 0.86 0.00 0.00 12 Y 9.43 4.27 0.00 3.55 3.14 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 0.00 0.00 0.00 0.00 13 D 7.80 4.85 0.00 2.59 2.29 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 0.00 14 E 8.84 3.90 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.71 0.00 15 D 8.43 4.50 0.00 2.74 2.69 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 0.00 0.00 0.00 0.00 16 A 7.70 4.28 1.20 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 0.00 0.00 17 G 7.94 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.49 4.97 0.00 3.20 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 19 P 0.00 4.36 0.00 2.29 2.35 0.00 3.85 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.06 0.00 20 D 8.27 4.51 0.00 2.75 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.27 4.95 0.00 3.11 2.93 0.00 0.00 7.08 7.27 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 22 G 8.38 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.58 4.18 2.30 0.00 0.00 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 0.65 0.00 0.00 24 S 8.31 4.66 0.00 4.05 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.21 0.00 2.06 2.22 0.00 3.64 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.26 0.00 26 G 9.06 3.99 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 0.00 0.00 0.00 27 T 7.27 4.02 4.24 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 1.08 0.00 0.00 28 K 8.47 4.41 0.00 1.81 1.94 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.59 1.45 7.81 29 F 9.40 3.45 0.00 2.37 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.10 3.91 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 31 E 7.68 4.15 0.00 1.98 1.90 0.00 0.00 0.00 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 2.37 0.00 32 I 6.68 3.50 1.05 0.00 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.02 -0.09 0.00 0.00 33 P 0.00 4.27 0.00 2.17 1.95 0.00 3.41 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 34 D 8.62 4.37 0.00 2.64 2.72 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 35 D 7.90 4.61 0.00 2.78 2.78 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 36 W 7.90 4.21 0.00 3.11 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 6.77 4.24 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 0.81 0.00 0.00 0.65 0.00 0.00 38 C 8.47 3.68 0.00 3.06 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 39 P 0.00 4.14 0.00 2.04 2.04 0.00 3.10 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.83 0.00 40 I 7.38 3.97 1.80 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.94 0.91 0.00 0.00 41 C 7.94 4.45 0.00 3.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.06 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 7.53 4.08 1.25 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 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.85 0.00 2.30 2.23 0.00 3.75 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.01 0.00 45 K 8.83 4.37 0.00 1.91 2.02 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.17 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.46 1.75 7.81 46 S 8.31 4.36 0.00 4.06 4.10 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 0.00 0.00 0.00 47 E 8.67 4.55 0.00 2.16 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 48 F 8.12 5.32 0.00 3.14 2.95 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 0.00 0.00 0.00 49 E 9.05 4.76 0.00 2.02 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 50 K 8.63 3.56 0.00 1.30 1.42 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.62 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.98 0.29 7.81 51 L 8.37 4.25 0.00 1.50 1.52 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 *52 E 8.70 4.13 0.00 1.73 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.