NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 44 I 4.0994 7.8833 120.7873 61.2990 39.9789 176.4283 45 D 4.5159 7.6904 118.0884 54.4378 41.2514 175.0002 46 E 4.0316 7.5702 120.4160 59.1887 30.8017 177.8981 47 C 4.3320 7.9174 114.1049 61.0107 29.6887 175.4558 48 I 3.9318 7.8086 120.6137 63.7238 37.7199 177.3653 49 G 3.9132 7.6200 105.6079 47.2917 0.0000 175.5963 50 L 4.2068 8.5302 121.2791 56.8466 41.5036 179.0166 51 F 4.2022 8.3327 123.5095 62.0213 39.0444 178.0721 52 R 2.9124 7.5889 113.7108 58.3494 28.8493 177.6192 53 A 5.0092 8.1332 124.6980 55.4636 25.6346 179.9856 54 N 4.4098 8.9045 113.7946 55.3663 37.7412 178.7230 55 C 4.1473 7.6057 111.8042 60.5679 29.7356 174.9554 56 F 4.1983 7.9234 121.8145 60.7122 39.0359 177.0319 *57 F 4.3540 8.1867 120.4682 57.3794 38.3472 178.6472 58 R 4.7192 8.4561 118.7152 55.7523 30.7467 175.8364 59 N 5.0868 8.1686 117.4867 53.4638 42.5976 174.4346 *60 F 4.4091 8.1956 121.8157 55.6874 40.7784 171.1560 *66 A 4.3933 8.5564 119.3753 53.5584 20.4539 177.7611 67 D 4.4602 8.1930 118.6883 57.8687 41.1933 179.2851 68 R 4.1329 8.0444 119.7580 60.9125 29.0475 180.9305 69 T 4.1956 7.9329 116.5988 67.8830 68.4573 177.2378 70 L 4.0926 8.5316 127.1802 60.0496 40.7668 181.8940 71 I 4.2097 7.8368 123.4029 65.5842 35.2827 179.7497 *72 Y 5.0816 7.8883 117.7384 56.6021 37.2561 178.3115 73 G 4.2735 8.0557 110.9910 47.2325 0.0000 176.6053 74 T 4.1728 8.9685 119.2323 65.8270 68.3994 179.0579 75 L 4.3700 7.7149 125.4831 60.2942 40.7832 184.4184 *76 F 4.4588 8.0369 121.1918 62.0949 38.0934 181.1000 77 I 3.9776 7.3717 119.8542 65.9817 35.6065 183.8458 78 S 4.6370 7.6607 121.9192 63.8849 62.1733 179.4679 79 E 4.4926 8.1191 120.0213 59.5406 29.8312 178.9348 80 C 5.0765 7.3974 114.3583 59.8388 29.1636 174.5580 81 L 4.3477 7.5683 122.7060 53.4907 43.4963 177.0564 *93 E 3.9268 8.7086 121.6567 56.2158 30.6870 173.6258 94 R 4.5035 8.6727 126.0022 54.5227 30.6973 173.7464 95 Q 4.7010 8.4337 125.7908 53.0527 28.5660 172.4938 96 L 4.3228 7.7212 122.4024 55.6628 42.4807 178.8422 97 N 4.3570 8.0737 116.0086 53.5297 37.4344 180.9429 *137 F 4.5013 8.3604 126.1225 56.5698 39.0407 172.1782 138 R 4.2640 7.8066 126.4650 58.4207 30.7570 180.4941 139 Q 4.0458 8.5241 117.5775 59.2950 28.1722 184.3450 140 E 4.0176 8.3269 116.9112 59.3202 29.8823 180.7544 141 L 4.4694 7.6776 115.0658 54.8427 40.9509 179.6353 142 A 4.4214 8.0809 122.9546 55.4385 21.7291 178.7584 *143 Y 4.3278 8.4603 113.0033 58.1603 36.7176 179.1159 144 R 4.4795 7.8809 121.9079 59.0234 32.1291 183.0157 145 L 3.7616 7.8959 119.4398 57.1252 41.0286 181.0361 146 L 4.0031 7.9570 118.5328 57.4207 40.9080 182.6966 147 S 4.5140 7.6454 114.5220 56.0354 62.3093 177.8874 *159 K 4.5393 8.0769 125.0404 55.8319 34.3294 177.8148 160 W 4.6718 8.7194 118.9251 57.2842 27.7434 176.5629 161 W 5.1876 8.7087 117.6291 56.8940 30.4322 177.7103 162 T 4.2308 8.1534 114.5602 65.6840 68.6422 175.6639 163 C 4.1281 8.0197 116.7685 61.1171 30.0262 175.4455 164 F 4.2728 7.5857 116.4722 57.8085 37.9482 177.3460 165 S 4.2746 8.0811 118.1166 60.4298 62.8958 174.7559 166 K 4.5217 7.8690 121.2255 56.2192 32.2178 176.3068 167 R 4.2330 7.4953 120.3109 53.9704 30.7272 175.1404 168 R 4.0628 8.2567 122.9622 55.8745 29.9179 175.8649 *169 F 4.3015 8.8273 125.6666 57.8254 38.4859 172.4553 170 M 3.2478 8.8861 123.9640 54.6253 29.2035 174.3224 171 N 4.3401 8.2421 114.6597 54.4744 35.8532 178.5958 172 K 4.3072 7.8835 125.1289 55.6354 32.7397 179.1158 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 44 I 7.88 4.10 1.87 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 1.27 0.91 0.00 0.00 45 D 7.69 4.52 0.00 2.87 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 46 E 7.57 4.03 0.00 2.10 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 47 C 7.92 4.33 0.00 3.26 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.81 3.93 1.84 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.68 0.95 0.00 0.00 49 G 7.62 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.53 4.21 0.00 1.91 1.78 1.01 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.33 4.20 0.00 3.41 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.59 2.91 0.00 1.95 1.79 0.00 3.32 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.26 0.00 53 A 8.13 5.01 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 54 N 8.90 4.41 0.00 2.62 2.84 0.00 0.00 6.85 8.13 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 55 C 7.61 4.15 0.00 2.82 2.33 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.92 4.20 0.00 3.12 3.12 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 *57 F 8.19 4.35 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.46 4.72 0.00 1.77 1.76 0.00 3.19 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.17 0.00 59 N 8.17 5.09 0.00 2.63 2.70 0.00 0.00 6.69 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *60 F 8.20 4.41 0.00 2.23 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 0.00 0.00 0.00 *66 A 8.56 4.39 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 67 D 8.19 4.46 0.00 2.73 2.74 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 0.00 0.00 0.00 0.00 68 R 8.04 4.13 0.00 1.81 1.95 0.00 3.25 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.30 0.00 69 T 7.93 4.20 4.25 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 1.21 0.00 0.00 70 L 8.53 4.09 0.00 1.61 1.67 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 71 I 7.84 4.21 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.54 0.91 0.00 0.00 *72 Y 7.89 5.08 0.00 2.29 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 0.00 0.00 0.00 0.00 73 G 8.06 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 0.00 0.00 0.00 0.00 74 T 8.97 4.17 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 1.21 0.00 0.00 75 L 7.71 4.37 0.00 1.54 1.70 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 *76 F 8.04 4.46 0.00 2.37 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 7.37 3.98 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.10 0.91 0.00 0.00 78 S 7.66 4.64 0.00 3.84 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.12 4.49 0.00 2.08 1.89 0.00 0.00 0.00 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 2.22 0.00 80 C 7.40 5.08 0.00 3.08 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 7.57 4.35 0.00 1.77 1.63 0.99 1.02 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 *93 E 8.71 3.93 0.00 2.01 1.81 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 2.13 1.88 0.00 94 R 8.67 4.50 0.00 1.80 1.76 0.00 3.17 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.16 0.00 95 Q 8.43 4.70 0.00 2.01 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.92 0.00 0.00 0.00 0.00 0.00 2.16 1.87 0.00 96 L 7.72 4.32 0.00 1.65 1.60 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 97 N 8.07 4.36 0.00 2.74 2.68 0.00 0.00 6.53 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *137 F 8.36 4.50 0.00 2.32 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 0.00 0.00 0.00 0.00 138 R 7.81 4.26 0.00 1.73 1.96 0.00 3.25 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.18 0.00 139 Q 8.52 4.05 0.00 1.97 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.87 0.00 0.00 0.00 0.00 0.00 2.38 1.96 0.00 140 E 8.33 4.02 0.00 1.89 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 1.88 0.00 141 L 7.68 4.47 0.00 1.65 1.58 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.08 4.42 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *143 Y 8.46 4.33 0.00 2.32 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 0.00 0.00 0.00 0.00 144 R 7.88 4.48 0.00 1.67 1.90 0.00 3.24 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.39 0.00 145 L 7.90 3.76 0.00 1.66 1.62 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 146 L 7.96 4.00 0.00 1.66 1.62 0.92 0.71 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 0.00 147 S 7.65 4.51 0.00 3.57 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *159 K 8.08 4.54 0.00 1.97 2.21 0.00 1.35 0.00 0.00 1.70 0.00 0.00 2.35 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.49 1.56 7.81 160 W 8.72 4.67 0.00 3.31 3.31 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 0.00 161 W 8.71 5.19 0.00 3.50 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 T 8.15 4.23 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 163 C 8.02 4.13 0.00 2.70 2.90 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 0.00 0.00 0.00 164 F 7.59 4.27 0.00 3.46 2.87 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 0.00 0.00 0.00 165 S 8.08 4.27 0.00 4.05 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 K 7.87 4.52 0.00 1.70 1.78 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.32 1.42 7.81 167 R 7.50 4.23 0.00 1.51 1.55 0.00 2.75 0.00 0.00 3.08 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.25 0.00 168 R 8.26 4.06 0.00 1.74 1.84 0.00 3.25 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.19 0.00 *169 F 8.83 4.30 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 M 8.89 3.25 0.00 2.31 2.01 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.33 0.00 171 N 8.24 4.34 0.00 2.91 2.76 0.00 0.00 6.52 6.75 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 0.00 172 K 7.88 4.31 0.00 1.75 1.53 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.27 1.21 7.81 * Residues marked with a * may have inaccurate shift predictions.