NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.0042 8.0093 120.7387 60.3408 39.3517 175.6795 3 S 4.1745 8.1810 120.1737 57.7822 64.8352 173.8568 4 N 4.3090 9.0132 122.0847 56.6072 38.8323 178.7646 5 A 4.0066 7.9927 121.5569 55.1054 18.4826 179.6273 6 K 4.0406 7.9526 116.6041 59.3023 32.1142 179.7168 7 I 3.7476 7.8140 120.2330 64.1183 37.0299 178.1407 8 A 3.9561 8.1525 121.7252 55.2138 18.1734 179.6096 9 R 3.8172 7.8923 117.0301 59.7007 30.1192 178.6090 10 I 3.9546 7.6750 120.8201 64.0040 37.0893 178.2081 11 N 4.3208 8.1662 117.1859 56.1104 38.3612 177.3986 12 E 3.9501 8.1344 120.0366 59.5486 29.5838 179.4876 13 L 4.0136 8.1743 118.8934 57.5604 41.6284 179.4412 14 A 3.9356 8.2460 120.7819 55.0733 18.3213 179.4946 15 A 3.9547 8.0612 119.2855 55.2898 18.4637 180.0880 16 K 3.9418 7.9133 116.3593 59.3421 32.2060 179.4934 17 A 3.9621 8.1716 121.2507 55.1327 18.1220 179.6804 18 K 3.9326 8.0046 116.7112 59.2988 32.3646 178.3082 19 A 4.2577 7.8385 119.2719 52.1813 18.4932 177.9711 20 G 3.8632 7.6588 104.4480 46.3711 0.0000 174.7353 21 V 4.3232 7.5333 109.5164 60.3156 32.6307 175.9574 22 I 3.8957 7.6305 121.2005 61.0673 38.6609 176.2770 23 T 4.3163 9.1309 118.7921 61.0006 71.0311 175.5896 24 E 3.9898 8.6051 121.6951 59.0341 29.5158 178.7487 25 E 3.9780 8.0546 117.5471 59.5537 29.9776 178.7391 26 E 3.9181 7.8760 119.4856 58.7304 29.5453 179.3691 27 K 3.9288 8.0246 119.2784 59.4105 32.1194 178.7929 28 A 4.0020 7.6862 121.2438 54.9889 18.3541 179.2257 29 E 3.8759 8.4174 118.0685 59.5438 29.6082 178.7894 30 Q 3.9595 8.5006 120.0204 59.1664 28.8841 178.0658 31 Q 3.9665 7.9931 120.3348 59.1126 29.0867 178.3063 32 K 4.3787 7.7485 121.9851 58.8918 32.2341 178.8151 33 L 4.0104 7.9042 119.2495 57.7804 41.4489 179.5493 34 R 3.9835 8.1644 118.0299 59.5326 29.9187 179.0542 35 Q 4.0547 7.8975 117.7059 59.2029 28.7109 178.9361 36 E 4.0080 8.2410 119.5765 59.1792 29.2296 178.6953 37 Y 4.0000 8.3101 119.3722 60.5611 39.1264 177.6980 38 L 4.2110 8.3935 121.4399 58.2771 42.3659 178.8139 39 K 3.9840 8.2337 119.5600 59.3963 31.8147 178.5931 40 G 3.4772 7.8392 104.6656 46.3573 0.0000 174.5165 41 F 4.8073 7.9420 118.9977 57.5180 39.3444 177.7180 42 R 3.9720 7.6119 118.5078 59.3156 29.9530 178.0685 43 S 4.2686 7.9494 113.1113 61.8477 63.1811 178.0127 44 S 4.2243 7.5197 114.7183 58.0775 61.5783 175.8447 *46 K 4.2993 8.1247 119.0746 55.7942 33.8567 177.0476 47 N 4.6353 7.8129 114.5403 54.0250 38.7824 176.1111 48 T 4.5400 7.7042 114.2274 63.7387 68.9050 175.0239 49 L 4.5257 7.1647 118.9133 52.8553 44.6031 173.4328 50 K 4.0277 8.0870 121.4848 56.7110 29.9470 175.7209 51 S 3.6437 7.9454 121.3262 59.3632 62.5696 173.9708 52 V 3.9316 8.3615 105.6146 62.8269 30.8378 177.7010 53 L 4.2670 8.4279 113.2355 56.6909 38.9387 174.6613 54 E 4.1049 8.3944 124.8773 57.7153 30.1000 174.5902 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 2 I 8.01 4.00 1.79 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.33 0.99 0.00 0.00 3 S 8.18 4.17 0.00 4.16 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 4 N 9.01 4.31 0.00 2.76 2.92 0.00 0.00 6.72 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 A 7.99 4.01 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 6 K 7.95 4.04 0.00 2.02 1.88 0.00 1.67 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.47 7.81 7 I 7.81 3.75 2.08 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.81 0.96 0.00 0.00 8 A 8.15 3.96 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 9 R 7.89 3.82 0.00 1.95 2.07 0.00 3.23 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 10 I 7.68 3.95 1.92 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.36 0.68 0.00 0.00 11 N 8.17 4.32 0.00 2.89 2.84 0.00 0.00 7.05 7.82 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 12 E 8.13 3.95 0.00 2.16 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 2.61 0.00 13 L 8.17 4.01 0.00 1.65 1.69 1.05 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.25 3.94 1.35 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 0.00 0.00 15 A 8.06 3.95 1.40 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 0.00 0.00 16 K 7.91 3.94 0.00 1.97 1.86 0.00 1.67 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.64 7.81 17 A 8.17 3.96 1.35 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 0.00 0.00 18 K 8.00 3.93 0.00 1.76 1.98 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.45 7.81 19 A 7.84 4.26 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 20 G 7.66 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 21 V 7.53 4.32 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.98 0.00 0.00 22 I 7.63 3.90 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.87 0.90 0.00 0.00 23 T 9.13 4.32 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 24 E 8.61 3.99 0.00 2.10 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 2.43 0.00 25 E 8.05 3.98 0.00 2.23 2.18 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 2.35 2.39 0.00 26 E 7.88 3.92 0.00 2.16 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 2.33 2.32 0.00 27 K 8.02 3.93 0.00 1.98 2.00 0.00 1.63 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 28 A 7.69 4.00 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 29 E 8.42 3.88 0.00 2.04 2.13 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 2.30 2.31 0.00 30 Q 8.50 3.96 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 31 Q 7.99 3.97 0.00 2.35 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 32 K 7.75 4.38 0.00 1.84 1.91 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.16 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.34 7.81 33 L 7.90 4.01 0.00 1.93 1.70 0.96 0.93 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 34 R 8.16 3.98 0.00 1.98 2.04 0.00 3.25 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.84 0.00 35 Q 7.90 4.05 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.64 0.00 36 E 8.24 4.01 0.00 2.19 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 2.34 2.62 0.00 37 Y 8.31 4.00 0.00 2.95 3.21 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 38 L 8.39 4.21 0.00 1.92 1.88 1.01 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.23 3.98 0.00 1.88 1.78 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.46 7.81 40 G 7.84 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.94 4.81 0.00 3.14 2.89 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 42 R 7.61 3.97 0.00 2.01 2.01 0.00 3.26 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 43 S 7.95 4.27 0.00 3.85 3.92 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 44 S 7.52 4.22 0.00 4.08 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 *46 K 8.12 4.30 0.00 2.01 1.89 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.81 7.81 47 N 7.81 4.64 0.00 2.90 2.84 0.00 0.00 6.81 7.46 0.00 0.00 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 T 7.70 4.54 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 1.20 0.00 0.00 49 L 7.16 4.53 0.00 1.63 1.60 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.09 4.03 0.00 2.03 1.86 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.36 7.81 51 S 7.95 3.64 0.00 4.10 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 52 V 8.36 3.93 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.93 0.00 0.00 53 L 8.43 4.27 0.00 1.82 1.70 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.39 4.10 0.00 2.11 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 2.25 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.