NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 D 4.6591 8.2076 120.5306 54.4216 43.0299 177.4144 15 I 3.5717 7.8026 111.4155 62.3188 38.0374 174.4185 16 A 4.7726 8.0480 124.6195 50.3775 19.3335 176.8205 17 R 4.6740 7.5757 118.5019 55.5544 31.9393 179.1526 18 G 4.2236 8.4185 108.0131 48.3316 0.0000 176.2301 19 F 4.5141 8.0963 120.0262 60.2646 38.7116 177.1115 20 E 4.1804 8.4739 117.1353 58.4047 29.2779 178.8559 21 R 3.9976 7.7008 117.8110 56.5443 30.1442 176.6831 22 G 3.7476 7.9640 106.8107 46.5711 0.0000 173.5085 23 L 4.5017 7.1432 120.0945 52.8010 44.2368 176.8285 24 E 4.5428 8.4112 118.9063 55.8544 30.8560 175.7105 25 P 5.0605 0.0000 0.0000 62.5842 32.1911 175.0133 26 E 4.5433 8.8737 121.1881 57.2882 32.4204 175.7082 27 K 4.3081 7.2844 116.6100 55.4478 35.7200 173.8517 28 I 4.1539 8.2790 128.9689 60.7439 37.5715 175.6179 29 I 4.2920 8.2467 119.5859 59.7592 38.4886 175.1439 30 G 4.1136 7.1851 110.2015 47.0365 0.0000 171.4253 31 A 5.7026 7.9886 119.8895 52.0226 22.3034 175.2407 32 T 4.1864 8.0183 111.0805 61.6785 70.9768 171.9069 33 D 4.8401 8.7025 125.9904 53.2734 40.7443 176.5410 34 S 4.0894 8.6450 119.4849 60.4973 62.9592 173.9304 *37 D 4.4030 7.8070 118.7983 53.4140 41.9102 175.4653 38 L 4.0465 8.5354 124.8163 56.3512 43.2189 175.6104 39 M 4.9242 8.9618 124.3286 53.4988 36.5878 174.0615 40 F 5.4004 8.5392 121.0955 55.5834 41.9671 174.7872 41 L 4.0794 8.7350 126.4936 54.9711 42.9325 174.8922 42 M 4.2863 8.3752 127.4817 53.4785 34.1736 174.4937 43 K 4.3403 8.3710 128.0603 55.2247 33.8786 175.5733 44 W 5.4216 8.2164 129.2039 55.7498 30.8474 177.2844 45 K 4.3256 8.8389 124.0020 55.6717 31.5270 179.2936 46 D 4.6181 9.1619 124.1166 55.0041 39.9954 174.7306 47 T 4.6006 7.9088 110.7970 59.4036 70.5036 180.5534 48 D 4.8368 8.3284 125.1941 52.8409 39.8706 175.7229 49 E 4.9847 7.6367 119.2097 54.8179 34.8337 175.3827 50 A 4.8712 8.4746 122.5658 50.8399 22.6198 175.0465 51 D 4.7982 8.6245 118.5781 52.5851 46.2271 175.0200 52 L 4.5701 8.4708 121.0612 55.2210 42.9316 176.5788 53 V 4.6412 8.2875 114.9675 59.3606 36.5636 174.9201 54 L 4.2351 8.4576 123.0304 54.2777 42.5025 178.1890 55 A 3.7193 8.2400 125.4131 54.9270 17.6581 179.8542 56 K 3.8293 8.0225 117.6576 59.8525 32.2490 178.4420 57 E 4.1705 8.2280 118.6543 59.3329 29.6891 178.4538 58 A 4.4105 8.5345 120.9745 55.1254 18.2084 179.1572 59 N 4.3907 8.4789 115.0430 56.7306 38.7142 177.3148 60 V 3.8721 7.3335 121.1722 66.3032 31.7959 178.4953 61 K 4.2642 8.0105 122.5546 58.2304 33.2856 179.1821 62 C 5.0280 8.4265 114.5459 55.0720 30.1857 172.5581 63 P 4.3809 0.0000 0.0000 66.8768 31.3248 178.6041 64 Q 4.0083 8.0735 117.3854 58.7675 28.7473 178.7127 65 I 3.6998 7.7071 120.3614 64.1645 37.3271 178.3687 66 V 3.2586 7.6206 118.6013 66.1647 31.3797 178.2142 67 I 3.9657 8.1976 119.5139 64.2961 36.6804 178.2047 68 A 4.0029 8.2098 121.3138 55.0118 18.5880 179.1045 69 F 4.1937 8.0063 118.8491 61.8814 39.2642 177.0640 70 Y 4.0502 7.3698 114.1710 61.0258 37.6750 178.2746 71 E 4.1865 8.2211 121.0454 59.2443 29.6344 177.9252 72 E 4.2489 7.6194 122.2730 58.2182 29.9988 181.0716 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 14 D 8.21 4.66 0.00 2.80 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 15 I 7.80 3.57 1.85 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 1.34 0.62 0.90 0.00 0.00 16 A 8.05 4.77 1.21 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 0.00 0.00 17 R 7.58 4.67 0.00 1.86 2.04 0.00 3.18 0.00 0.00 3.47 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 18 G 8.42 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 0.00 0.00 0.00 0.00 19 F 8.10 4.51 0.00 3.21 3.09 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 0.00 0.00 0.00 20 E 8.47 4.18 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 21 R 7.70 4.00 0.00 1.36 1.69 0.00 3.28 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 22 G 7.96 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 23 L 7.14 4.50 0.00 0.66 1.38 0.56 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.41 4.54 0.00 1.66 1.82 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 2.31 1.88 0.00 25 P 0.00 5.06 0.00 2.20 2.47 0.00 3.86 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.27 0.00 26 E 8.87 4.54 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 2.17 2.22 0.00 27 K 7.28 4.31 0.00 1.76 1.48 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.84 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.26 1.35 7.81 28 I 8.28 4.15 0.94 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.18 -0.21 0.00 0.00 29 I 8.25 4.29 1.80 0.00 0.00 0.77 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 0.51 0.81 0.00 0.00 30 G 7.19 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 7.99 5.70 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 32 T 8.02 4.19 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 1.18 0.00 0.00 33 D 8.70 4.84 0.00 2.59 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.64 4.09 0.00 3.80 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 *37 D 7.81 4.40 0.00 2.60 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 8.54 4.05 0.00 1.71 1.44 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 39 M 8.96 4.92 0.00 1.83 1.87 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.38 0.00 40 F 8.54 5.40 0.00 2.74 2.48 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 41 L 8.74 4.08 0.00 1.66 1.42 0.84 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 42 M 8.38 4.29 0.00 1.19 1.37 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.37 0.00 43 K 8.37 4.34 0.00 1.67 1.63 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.48 7.81 44 W 8.22 5.42 0.00 3.24 3.10 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 45 K 8.84 4.33 0.00 1.69 1.71 0.00 1.92 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.26 7.81 46 D 9.16 4.62 0.00 2.87 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 47 T 7.91 4.60 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 48 D 8.33 4.84 0.00 2.68 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 7.64 4.98 0.00 2.07 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 2.36 2.37 0.00 50 A 8.47 4.87 1.05 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 0.00 0.00 51 D 8.62 4.80 0.00 2.83 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.47 4.57 0.00 1.71 1.52 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.29 4.64 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.77 0.00 0.00 54 L 8.46 4.24 0.00 1.74 1.56 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.24 3.72 0.67 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 0.00 0.00 56 K 8.02 3.83 0.00 1.83 1.85 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.54 7.81 57 E 8.23 4.17 0.00 2.20 2.32 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 2.53 2.47 0.00 58 A 8.53 4.41 1.70 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 0.00 0.00 59 N 8.48 4.39 0.00 2.95 3.01 0.00 0.00 6.98 7.72 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 60 V 7.33 3.87 2.10 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 0.78 0.00 0.00 0.96 0.00 0.00 61 K 8.01 4.26 0.00 1.91 1.70 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.38 1.31 7.81 62 C 8.43 5.03 0.00 3.06 3.08 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 0.00 0.00 0.00 0.00 63 P 0.00 4.38 0.00 2.33 2.53 0.00 3.72 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 64 Q 8.07 4.01 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.95 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 65 I 7.71 3.70 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.04 0.80 0.00 0.00 66 V 7.62 3.26 2.34 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 1.30 0.00 0.00 1.10 0.00 0.00 67 I 8.20 3.97 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.65 0.97 0.00 0.00 68 A 8.21 4.00 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 69 F 8.01 4.19 0.00 2.81 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 70 Y 7.37 4.05 0.00 3.16 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 71 E 8.22 4.19 0.00 2.10 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 2.35 2.48 0.00 72 E 7.62 4.25 0.00 2.11 1.72 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 2.26 2.19 0.00 * Residues marked with a * may have inaccurate shift predictions.