NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.3476 8.2644 123.5896 51.8942 19.6174 176.4036 5 H 4.2440 8.8214 123.6830 55.6470 30.5656 173.3034 6 F 4.8180 8.2386 126.7202 56.9138 43.1615 172.5024 7 F 4.1046 7.2189 128.0342 55.9944 41.8898 173.8680 8 E 3.9580 7.5288 129.0567 54.7484 28.5912 175.9291 9 G 3.8514 8.4760 116.5647 48.2948 0.0000 173.1548 10 T 3.8552 7.9074 116.3432 64.1385 68.7953 173.3239 11 E 4.6291 8.5715 125.0917 54.7147 31.7568 175.1691 12 K 4.5074 8.3378 119.9876 54.6224 33.7295 175.8306 13 L 4.6866 8.4396 125.1179 52.8616 44.3028 174.9521 14 L 4.7160 8.4740 126.9219 53.0280 44.4454 174.8720 15 E 4.5791 8.7331 125.6833 54.2502 32.2748 174.5952 16 V 4.3092 8.1782 124.7064 60.7065 34.3946 174.1044 17 W 4.5599 8.7108 126.5514 55.0062 30.6835 175.6240 18 F 4.8890 8.6913 121.9837 56.3997 40.5696 174.6483 19 S 4.6746 8.3441 115.1176 57.7519 65.2733 173.5768 20 R 4.5225 8.2837 121.0898 54.1673 30.7610 174.6349 21 Q 3.8662 8.2616 127.3221 56.9238 29.6096 175.4801 22 Q 4.6178 8.1465 124.1925 56.0104 26.5752 174.6401 23 P 4.4391 0.0000 0.0000 62.0581 30.5126 177.3200 *27 Q 4.2126 8.3267 120.2634 55.8658 30.6627 175.5378 28 G 4.0868 8.1170 102.1503 44.6823 0.0000 173.6794 29 S 4.0860 8.3922 114.4097 59.2445 63.3107 175.5789 30 G 3.8899 8.7843 107.3682 45.5547 0.0000 172.3503 31 D 4.6554 8.0307 119.0369 52.1574 44.1897 176.3455 32 L 4.0691 8.7038 126.6979 57.8218 41.8570 179.0533 33 R 4.3451 8.4079 116.2484 58.1255 30.0101 177.7783 34 T 4.0806 7.7549 114.8453 65.6799 68.7573 175.3546 35 I 3.5310 7.4966 123.0174 60.5189 37.4366 174.4330 36 P 4.4632 0.0000 0.0000 62.0279 32.1555 177.3621 37 R 4.1947 8.7473 120.5689 59.8125 30.0971 178.9381 38 S 4.1193 8.1077 113.5482 61.6471 62.7378 176.3162 39 E 3.8903 7.8181 121.6133 58.8177 29.0881 179.2475 40 W 4.4545 7.7684 118.6140 59.7655 28.9125 178.0827 41 D 4.4104 8.3124 118.3816 57.4667 40.4645 178.6784 42 I 3.8603 7.6571 119.8032 64.2479 36.7478 178.1892 43 L 3.9801 8.1183 121.2692 58.3278 42.1148 179.0668 44 L 4.1763 8.3252 118.5373 57.0335 41.2373 179.2752 45 K 3.9692 7.5346 119.4115 59.6745 32.1905 178.2351 46 D 4.4891 7.6326 116.9009 57.0791 40.7984 178.4720 47 V 3.6955 7.6155 117.1735 63.3849 32.2793 175.0565 48 Q 3.6053 8.7918 115.6217 56.2600 25.6028 171.8944 49 C 4.7955 7.6583 110.1016 57.6846 32.8515 172.3335 50 S 4.7115 8.8083 113.9776 57.0202 66.5574 173.2018 51 I 4.5670 8.3311 121.8289 61.2721 37.0286 176.0557 52 I 4.6255 8.6118 119.5313 60.9116 39.5378 175.6223 53 S 4.7189 7.6952 115.8447 57.4304 65.9464 173.7434 54 V 4.6725 8.1952 120.7068 61.5436 34.7366 174.5419 55 T 4.5798 8.7745 123.4876 61.7311 72.2094 172.8367 56 K 4.9138 8.7244 125.5728 54.7201 34.7523 175.4457 57 T 4.7019 8.3336 113.3719 59.3463 71.9293 173.6958 58 D 4.4923 8.7555 120.5291 57.1827 40.7971 178.2066 59 K 4.3291 7.9002 116.4593 57.6976 33.1793 176.3271 60 Q 4.5989 7.8827 114.7067 54.9926 31.4330 172.4801 61 E 5.0531 8.6308 118.1278 54.5183 31.9105 175.2453 62 A 4.8519 8.8712 126.0201 50.2618 22.0933 174.6557 63 Y 5.0847 8.5753 117.9473 56.1455 41.7258 174.9969 64 V 4.3251 8.6024 123.2240 61.4805 33.5663 175.1144 65 L 5.2946 8.4480 126.9760 53.5152 44.5512 175.3451 66 S 4.6278 8.8295 113.6887 56.9032 66.2902 173.6566 67 E 4.2147 8.8093 125.4261 56.4766 29.4905 175.8905 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 4 A 8.26 4.35 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 5 H 8.82 4.24 0.00 3.26 3.28 0.00 5.75 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 F 8.24 4.82 0.00 2.95 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 F 7.22 4.10 0.00 2.79 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 8 E 7.53 3.96 0.00 1.95 1.58 0.00 0.00 0.00 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 2.32 0.00 9 G 8.48 3.85 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 0.00 0.00 0.00 10 T 7.91 3.86 4.35 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 1.23 0.00 0.00 11 E 8.57 4.63 0.00 1.93 1.87 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 2.26 2.58 0.00 12 K 8.34 4.51 0.00 1.72 1.73 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.39 7.81 13 L 8.44 4.69 0.00 1.54 1.52 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.47 4.72 0.00 1.57 1.48 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.73 4.58 0.00 1.92 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 2.25 2.17 0.00 16 V 8.18 4.31 1.88 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 -0.03 0.00 0.00 0.86 0.00 0.00 17 W 8.71 4.56 0.00 3.20 3.13 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 0.00 0.00 0.00 18 F 8.69 4.89 0.00 3.07 3.02 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 19 S 8.34 4.67 0.00 4.01 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 20 R 8.28 4.52 0.00 1.80 1.88 0.00 3.27 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 21 Q 8.26 3.87 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.05 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 22 Q 8.15 4.62 0.00 2.19 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 7.53 0.00 0.00 0.00 0.00 0.00 2.33 2.09 0.00 23 P 0.00 4.44 0.00 2.05 2.08 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 *27 Q 8.33 4.21 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.73 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 28 G 8.12 4.09 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 0.00 0.00 0.00 29 S 8.39 4.09 0.00 3.98 3.99 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 0.00 0.00 0.00 30 G 8.78 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 0.00 0.00 0.00 31 D 8.03 4.66 0.00 2.67 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 32 L 8.70 4.07 0.00 1.82 1.86 1.04 0.63 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 33 R 8.41 4.35 0.00 1.97 2.06 0.00 3.19 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 34 T 7.75 4.08 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 1.18 0.00 0.00 35 I 7.50 3.53 1.70 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.37 -0.38 0.00 0.00 36 P 0.00 4.46 0.00 2.07 1.92 0.00 3.35 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 37 R 8.75 4.19 0.00 2.09 2.02 0.00 3.44 0.00 0.00 3.64 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.99 0.00 38 S 8.11 4.12 0.00 4.07 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 39 E 7.82 3.89 0.00 1.67 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 40 W 7.77 4.45 0.00 3.39 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 41 D 8.31 4.41 0.00 2.85 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.66 3.86 1.98 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 1.40 1.56 0.90 0.00 0.00 43 L 8.12 3.98 0.00 1.84 2.06 1.16 0.74 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 44 L 8.33 4.18 0.00 1.75 1.88 0.85 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.53 3.97 0.00 1.92 1.93 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.50 7.81 46 D 7.63 4.49 0.00 2.85 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.62 3.70 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 0.87 0.00 0.00 0.95 0.00 0.00 48 Q 8.79 3.61 0.00 2.31 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.41 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 49 C 7.66 4.80 0.00 3.23 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 50 S 8.81 4.71 0.00 3.87 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 0.00 51 I 8.33 4.57 1.95 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.52 1.15 0.00 0.00 52 I 8.61 4.63 1.88 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 1.42 0.67 0.92 0.00 0.00 53 S 7.70 4.72 0.00 3.85 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 54 V 8.20 4.67 1.94 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 0.27 0.00 0.00 0.98 0.00 0.00 55 T 8.77 4.58 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 56 K 8.72 4.91 0.00 1.55 1.64 0.00 1.65 0.00 0.00 1.88 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.20 1.26 7.81 57 T 8.33 4.70 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 1.18 0.00 0.00 58 D 8.76 4.49 0.00 2.69 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 59 K 7.90 4.33 0.00 1.74 1.87 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.42 7.81 60 Q 7.88 4.60 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 61 E 8.63 5.05 0.00 1.88 1.68 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 2.16 2.28 0.00 62 A 8.87 4.85 1.12 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 0.00 0.00 63 Y 8.58 5.08 0.00 2.63 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.60 4.33 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 1.03 0.00 0.00 0.92 0.00 0.00 65 L 8.45 5.29 0.00 1.56 1.58 0.88 0.78 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 66 S 8.83 4.63 0.00 3.85 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.81 4.21 0.00 2.11 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 2.33 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.