NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *9 Y 4.4945 8.1029 119.1526 57.2537 38.6838 174.9999 *10 T 3.8832 8.3134 106.4640 66.1796 68.8966 170.9887 *11 S 4.2694 8.2421 121.6168 62.7336 63.0811 178.1730 12 L 4.1837 7.7202 122.0834 58.3701 42.4111 178.6590 13 I 3.9191 8.8057 123.2794 64.9940 36.8927 178.4855 *14 H 4.0718 8.2088 120.0364 60.3143 27.6748 180.2540 15 S 4.4183 7.7746 117.7419 60.7114 62.5295 176.7303 16 L 3.9362 7.7425 123.5316 58.1734 41.8466 178.9694 17 I 3.7786 7.8036 121.7641 64.9938 37.1259 178.5671 18 E 3.9921 8.1530 121.3406 61.8532 29.4131 181.6469 19 E 4.1807 8.3569 119.2768 60.9885 29.8238 181.2068 20 S 4.2708 8.1714 114.4895 61.3940 62.4889 176.3041 21 Q 4.0014 8.7846 121.1812 58.8289 28.4042 178.2334 22 N 4.3243 8.7639 120.9355 57.4195 38.9715 177.2956 23 Q 4.0298 8.1618 121.9674 60.5773 28.1158 180.6235 24 Q 4.2029 8.0907 120.2138 58.7995 28.7587 178.9286 25 E 3.9793 8.3326 119.5144 59.3417 29.4301 179.6031 26 K 3.9913 8.2000 118.4746 59.5064 32.1477 179.4438 27 L 3.9706 8.1012 119.3232 57.6737 41.5112 179.1111 28 E 3.9342 8.5819 119.7529 59.4323 29.5025 178.7676 29 Q 4.0086 8.2405 119.5389 59.1136 29.0094 177.8869 30 E 3.9536 8.4715 119.9966 59.2011 29.4395 179.0798 31 L 3.9629 8.0963 120.3863 58.1720 42.1816 179.0575 32 L 4.0656 7.9963 118.9511 57.8582 41.5570 179.4024 33 E 4.0301 8.4778 118.7417 59.3160 29.3496 179.1398 34 L 4.1115 8.3187 120.7055 58.2870 42.1404 178.7248 35 D 4.4727 8.6936 119.3550 57.3213 40.7207 178.9586 36 K 4.0487 8.1277 119.0830 59.1257 32.0781 179.2042 37 W 4.1364 8.4713 128.4774 60.4098 30.6231 177.7536 38 A 4.1379 8.6151 121.2044 55.3712 17.8190 179.5225 39 S 4.0829 8.2872 111.5595 61.3220 62.5086 176.1875 40 L 3.9207 7.8414 122.9890 57.9945 41.8296 178.7690 41 W 4.2364 8.2371 128.6977 60.4828 30.5343 177.3927 42 N 4.1826 8.7313 117.5461 56.2265 38.2969 176.5883 43 W 4.0063 8.2884 129.8379 60.4927 30.7234 177.9053 44 F 3.4930 8.2943 117.4840 60.4678 38.3371 177.4274 45 N 4.0755 7.9258 116.0624 56.3027 38.2109 177.6444 46 I 3.7889 7.8812 121.5393 64.5547 37.0987 178.5229 47 T 3.5481 7.3851 116.6935 66.5049 68.2391 176.0460 48 N 4.2430 8.0793 118.9304 56.4437 39.0035 176.6778 49 W 4.2913 8.3658 129.6921 60.5951 30.6854 177.9800 50 L 3.5051 8.3702 119.3005 57.3099 40.7874 179.2262 51 W 3.9877 8.1808 127.8048 60.6014 30.6344 177.2466 52 Y 4.1379 7.6139 115.4701 59.5819 37.5506 176.7996 53 I 4.0189 7.0248 112.0059 60.4959 38.2376 176.3277 54 K 3.9776 7.1407 126.1550 57.5923 32.3742 176.2498 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 *9 Y 8.10 4.49 0.00 2.26 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 0.00 0.00 0.00 0.00 *10 T 8.31 3.88 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 *11 S 8.24 4.27 0.00 3.73 3.90 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 12 L 7.72 4.18 0.00 1.61 1.98 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.81 3.92 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 0.82 0.91 0.00 0.00 *14 H 8.21 4.07 0.00 2.93 3.10 0.00 7.21 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 7.77 4.42 0.00 3.94 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 16 L 7.74 3.94 0.00 1.78 1.77 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.80 3.78 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 0.69 0.91 0.00 0.00 18 E 8.15 3.99 0.00 1.95 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 2.25 2.21 0.00 19 E 8.36 4.18 0.00 1.96 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 2.24 2.19 0.00 20 S 8.17 4.27 0.00 3.88 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 21 Q 8.78 4.00 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 22 N 8.76 4.32 0.00 2.83 3.04 0.00 0.00 7.32 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 23 Q 8.16 4.03 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.57 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 24 Q 8.09 4.20 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 25 E 8.33 3.98 0.00 2.21 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 2.33 2.46 0.00 26 K 8.20 3.99 0.00 1.96 1.85 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.59 7.81 27 L 8.10 3.97 0.00 1.84 1.72 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.58 3.93 0.00 2.05 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 0.00 2.31 2.38 0.00 29 Q 8.24 4.01 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 30 E 8.47 3.95 0.00 2.21 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 2.32 2.48 0.00 31 L 8.10 3.96 0.00 1.90 1.89 0.95 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.00 4.07 0.00 1.91 1.73 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.48 4.03 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.48 0.00 34 L 8.32 4.11 0.00 1.85 1.91 1.01 1.58 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 35 D 8.69 4.47 0.00 2.92 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 36 K 8.13 4.05 0.00 2.11 1.94 0.00 1.90 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.71 7.81 37 W 8.47 4.14 0.00 3.56 3.33 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 38 A 8.62 4.14 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.29 4.08 0.00 3.95 4.06 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 40 L 7.84 3.92 0.00 1.66 1.36 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 41 W 8.24 4.24 0.00 2.80 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 42 N 8.73 4.18 0.00 2.97 3.03 0.00 0.00 6.85 7.51 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 43 W 8.29 4.01 0.00 3.40 3.28 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 0.00 0.00 0.00 0.00 44 F 8.29 3.49 0.00 2.96 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.93 4.08 0.00 2.63 2.68 0.00 0.00 7.08 7.31 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 46 I 7.88 3.79 1.71 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 1.44 0.77 0.96 0.00 0.00 47 T 7.39 3.55 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 0.80 0.00 0.00 48 N 8.08 4.24 0.00 2.79 2.99 0.00 0.00 6.90 8.04 0.00 0.00 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 W 8.37 4.29 0.00 3.49 3.38 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 50 L 8.37 3.51 0.00 1.79 1.59 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 51 W 8.18 3.99 0.00 3.18 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 52 Y 7.61 4.14 0.00 3.08 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.02 4.02 1.49 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.02 0.39 0.00 0.00 54 K 7.14 3.98 0.00 1.63 1.71 0.00 1.00 0.00 0.00 0.80 0.00 0.00 2.20 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.01 1.02 7.81 * Residues marked with a * may have inaccurate shift predictions.