NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 4.2255 8.2393 120.8541 56.3961 31.1797 174.4935 6 T 4.1352 8.1966 115.4226 59.3619 70.5953 172.2336 7 A 4.3585 8.7999 127.6808 50.0779 21.6862 177.5950 8 F 4.6375 8.0848 122.7053 57.0253 39.9028 176.4793 9 S 4.4131 8.8817 120.5342 58.1274 64.8496 175.6756 10 S 4.0872 8.6097 117.8767 61.7718 62.6283 176.2706 11 E 3.9569 8.1139 122.3053 59.0367 29.4274 178.7584 12 Q 3.8618 7.8778 118.0915 58.8949 28.7611 178.5501 13 L 3.5941 8.0976 120.0213 57.4880 41.6225 179.3271 14 A 3.9265 8.3071 121.1225 55.2001 18.2307 179.7578 15 R 3.7351 7.6697 116.5141 59.4399 30.2049 178.4184 16 L 3.6284 7.8422 119.1658 57.7394 41.3607 179.7703 17 K 4.1228 7.9241 118.3977 59.5858 31.9228 179.4257 18 R 3.9285 7.9889 118.9402 59.4067 29.8816 178.4643 19 E 4.0589 8.5544 118.7819 59.3879 29.2927 178.9846 20 F 4.3002 8.5989 120.0321 61.4588 39.4807 176.5456 21 N 4.5294 8.4061 115.3126 56.3471 38.4021 177.0234 22 E 4.3101 7.8678 118.7542 57.8179 29.6205 177.1590 23 N 4.7929 8.2778 119.1294 52.0852 41.3626 174.7983 24 R 3.2506 8.5005 122.1046 57.1512 30.0506 175.7990 25 Y 4.7015 7.4837 117.3386 55.9159 40.4288 175.3938 26 L 3.9752 8.3431 125.2990 54.6265 42.5502 177.5558 27 T 4.3725 8.0542 113.3670 60.3651 71.6108 175.5615 28 E 3.8441 8.5523 121.5604 59.6248 29.4955 178.3847 29 R 3.9790 8.0616 117.9418 59.9267 30.0068 178.0706 30 R 3.8197 7.9744 117.9730 59.2622 30.0998 178.3405 31 R 3.7646 8.1877 118.8390 59.5592 30.0394 178.4892 32 Q 4.1018 8.2299 117.7471 59.1173 28.7010 178.9025 33 Q 3.9597 8.3014 119.1867 58.9304 28.8008 178.5557 34 L 3.9485 8.2975 120.3353 58.1018 41.6017 179.8889 35 S 4.1046 8.0403 114.7409 61.5425 62.2895 176.6166 36 S 4.0523 8.1271 115.6695 61.6757 61.9703 176.1064 37 E 3.9921 8.1286 119.7436 59.0596 29.3019 178.6373 38 L 4.3497 8.0232 116.5792 53.9307 42.3867 176.6061 39 G 3.8630 7.7929 106.1349 46.9851 0.0000 173.4766 40 L 4.9311 7.8941 117.3760 52.2399 45.5044 176.7115 41 N 4.7070 9.2177 118.3716 52.8350 39.5071 176.5839 42 E 4.2392 9.1709 121.9720 59.0824 29.4259 179.6459 43 A 4.1383 8.0785 120.1932 55.2168 18.4294 179.6250 44 Q 4.1275 8.2059 116.6532 59.0942 28.9670 178.9541 45 V 3.6601 7.8038 118.8310 65.8212 31.7096 177.7135 46 K 4.0858 8.6327 119.9931 59.6733 32.0242 178.9489 47 G 3.7549 8.5589 106.1953 47.4065 0.0000 175.3706 48 W 4.0713 8.5809 130.6547 60.4467 30.7855 178.0279 49 F 4.0154 8.7182 117.4782 60.3846 38.4252 177.5847 50 K 3.9734 8.2758 119.1483 59.7939 32.0016 178.7129 51 N 4.2658 8.2429 116.8094 56.1601 38.4507 177.1846 52 M 3.2839 7.6361 120.0853 58.4370 32.0889 178.5471 53 R 3.9770 7.8700 117.9286 59.0380 30.1698 178.9503 54 A 3.9252 7.8292 120.5000 55.0204 17.9048 179.4817 55 K 3.7570 8.0274 118.3060 59.6608 32.1739 179.0621 56 I 3.6663 7.5181 119.6458 64.4511 36.8778 178.4681 57 K 3.9276 7.7581 117.8472 59.4811 31.9584 178.9631 58 K 4.1135 8.0629 118.6606 58.4996 32.1280 178.6774 59 S 4.3747 7.5714 115.8442 60.7761 63.4435 174.8293 *60 T 3.8008 7.4662 118.1965 61.3107 70.5383 173.9052 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 5 R 8.24 4.23 0.00 1.76 1.87 0.00 3.16 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.58 0.00 6 T 8.20 4.14 3.98 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 1.16 0.00 0.00 7 A 8.80 4.36 1.16 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 0.00 0.00 8 F 8.08 4.64 0.00 3.05 2.85 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 9 S 8.88 4.41 0.00 4.08 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 10 S 8.61 4.09 0.00 4.07 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 0.00 11 E 8.11 3.96 0.00 2.04 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 2.35 2.38 0.00 12 Q 7.88 3.86 0.00 2.26 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 13 L 8.10 3.59 0.00 1.78 1.69 1.03 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.31 3.93 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.67 3.74 0.00 1.88 1.95 0.00 3.14 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 16 L 7.84 3.63 0.00 0.66 0.13 -0.41 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.92 4.12 0.00 2.05 1.92 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.32 7.81 18 R 7.99 3.93 0.00 2.01 2.04 0.00 3.10 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 1.65 1.69 0.00 19 E 8.55 4.06 0.00 2.38 2.24 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 2.53 2.51 0.00 20 F 8.60 4.30 0.00 2.93 3.30 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 0.00 0.00 0.00 0.00 21 N 8.41 4.53 0.00 2.96 2.92 0.00 0.00 7.10 7.49 0.00 0.00 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 E 7.87 4.31 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 2.36 2.49 0.00 23 N 8.28 4.79 0.00 2.75 2.66 0.00 0.00 7.03 8.39 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 24 R 8.50 3.25 0.00 0.86 1.10 0.00 2.83 0.00 0.00 3.11 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.12 0.00 25 Y 7.48 4.70 0.00 3.06 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 26 L 8.34 3.98 0.00 1.47 1.41 0.66 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.05 4.37 4.22 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 1.20 0.00 0.00 28 E 8.55 3.84 0.00 2.04 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 2.37 0.00 29 R 8.06 3.98 0.00 1.90 1.91 0.00 3.23 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 30 R 7.97 3.82 0.00 1.90 1.82 0.00 3.16 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 31 R 8.19 3.76 0.00 1.84 2.11 0.00 3.15 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 32 Q 8.23 4.10 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.73 2.59 0.00 33 Q 8.30 3.96 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 34 L 8.30 3.95 0.00 1.82 1.70 0.99 0.92 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 35 S 8.04 4.10 0.00 4.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.13 4.05 0.00 3.99 4.03 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 0.00 0.00 0.00 37 E 8.13 3.99 0.00 2.15 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 2.34 2.40 0.00 38 L 8.02 4.35 0.00 1.65 1.66 0.76 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 39 G 7.79 3.86 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 40 L 7.89 4.93 0.00 1.62 1.64 0.81 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 41 N 9.22 4.71 0.00 2.87 2.76 0.00 0.00 7.32 7.22 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 42 E 9.17 4.24 0.00 2.02 2.02 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 2.40 2.26 0.00 43 A 8.08 4.14 1.37 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 0.00 0.00 44 Q 8.21 4.13 0.00 2.50 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.76 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 45 V 7.80 3.66 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 1.08 0.00 0.00 0.95 0.00 0.00 46 K 8.63 4.09 0.00 1.94 2.01 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.51 7.81 47 G 8.56 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 48 W 8.58 4.07 0.00 3.44 3.36 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 49 F 8.72 4.02 0.00 3.38 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 50 K 8.28 3.97 0.00 1.92 2.02 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.52 7.81 51 N 8.24 4.27 0.00 2.63 2.65 0.00 0.00 6.72 7.24 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 52 M 7.64 3.28 0.00 0.63 0.57 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.81 0.00 53 R 7.87 3.98 0.00 1.89 1.97 0.00 2.85 0.00 0.00 2.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.95 0.00 54 A 7.83 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 55 K 8.03 3.76 0.00 1.74 1.75 0.00 1.51 0.00 0.00 1.42 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.39 7.81 56 I 7.52 3.67 1.93 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.25 0.93 0.00 0.00 57 K 7.76 3.93 0.00 1.87 1.89 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.60 7.81 58 K 8.06 4.11 0.00 2.17 1.92 0.00 1.91 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.31 7.81 59 S 7.57 4.37 0.00 4.08 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.47 3.80 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 * Residues marked with a * may have inaccurate shift predictions.