NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 P 4.1584 0.0000 0.0000 62.4266 31.8131 174.4074 18 C 5.0676 8.2189 116.8975 53.1003 39.3627 172.9106 19 C 4.9736 9.7369 121.3522 55.7684 46.9056 175.6900 20 D 4.3415 9.9917 129.1719 56.9862 40.8383 176.8046 21 S 4.5878 7.6307 115.0332 56.5496 64.2140 171.7787 22 C 4.9498 8.4376 122.0750 55.4204 45.9162 172.1395 23 V 4.4615 8.3796 126.7922 61.3494 33.2078 173.7708 24 C 5.7067 8.6888 124.6563 55.2750 43.2135 173.8411 25 T 4.1897 8.8965 112.1931 61.5547 69.6591 175.2196 26 K 4.2558 8.3519 125.2155 54.3469 30.8195 175.5404 27 S 4.5377 7.2992 116.5845 57.5426 65.5656 175.1017 28 I 4.4891 8.1830 119.7103 58.6436 40.0933 173.7085 29 P 4.5994 0.0000 0.0000 61.1591 32.6486 173.8936 30 P 4.4083 0.0000 0.0000 63.1548 32.5604 175.0237 31 Q 4.9766 8.5991 121.9107 54.4250 31.4041 173.9557 32 C 5.7265 9.2258 121.6708 55.5223 45.2756 172.9145 33 H 5.1837 8.9266 115.9545 54.4158 32.1870 171.1302 34 C 5.1814 8.7327 120.3414 55.7469 44.2758 173.3275 35 T 4.2654 8.4440 115.6435 61.2766 69.1120 174.8138 36 N 4.2751 7.9875 119.7894 54.2977 39.0274 173.9608 37 I 4.5148 8.2057 122.5897 60.1633 38.4472 175.2165 38 R 4.6695 8.8752 126.9627 54.3844 32.9519 175.6218 39 L 4.5555 8.3648 122.4397 55.4730 42.6501 178.6025 40 N 4.4999 10.1185 121.5923 54.3720 38.5864 174.2537 41 S 4.6733 7.5659 108.8880 57.3966 65.8429 174.4334 42 C 4.4930 8.6750 122.0060 57.2096 35.8845 173.7448 *43 H 4.4067 8.3707 118.1551 54.1710 28.3577 177.2944 44 S 4.0965 8.6962 112.3340 62.7112 62.0155 175.2815 45 G 3.7948 7.8236 105.4605 45.8398 0.0000 173.6580 46 C 4.7057 7.6926 121.1283 55.9090 44.4460 173.0362 47 K 4.1198 10.7800 128.9251 58.2918 32.4836 176.6442 48 S 4.7766 8.8790 116.3477 56.7616 65.2451 172.2846 49 C 5.3475 8.8784 124.9445 54.5082 43.4342 172.4742 50 L 4.7722 9.2115 128.1772 53.5760 44.1647 174.0427 51 C 5.3987 8.8731 123.7388 55.5446 42.9397 173.3156 52 T 4.5259 8.9549 123.2552 63.5729 70.4505 177.0571 *53 F 3.9384 8.7113 125.3270 55.8891 36.8804 170.7881 54 S 4.6721 7.8319 113.1855 58.9936 65.3400 174.7615 55 I 3.5907 7.5740 116.9149 60.5536 32.8510 170.4214 56 P 4.3768 0.0000 0.0000 62.2022 30.0311 176.5217 57 G 3.7823 8.4612 112.5825 46.6773 0.0000 170.5684 58 S 5.0727 8.9536 118.0741 57.2104 63.9673 172.3605 59 C 5.3462 9.0571 123.4539 55.3631 38.7366 173.1390 60 R 4.9537 8.9557 123.2953 54.5671 33.2701 173.0577 61 C 4.9894 8.8182 126.1985 56.2795 43.8995 173.2110 62 L 4.0715 9.3747 126.5473 56.1472 42.2135 177.1422 63 D 4.2806 7.9769 117.5589 54.7547 41.1198 176.0611 64 I 4.4657 8.3040 124.0452 59.4060 39.2108 174.6059 65 A 4.6316 8.4659 127.1247 50.3329 21.8415 175.7402 66 N 5.2596 8.6747 113.8275 52.9908 38.8507 174.8195 67 F 4.8161 6.6128 112.1962 56.0701 40.6516 173.5755 68 C 4.8833 8.5158 116.7483 55.2811 43.0054 173.8057 69 Y 4.6946 8.2212 120.4645 57.4401 38.7055 175.6369 70 K 4.3118 8.8021 120.4801 55.8842 33.5234 174.9432 71 P 5.1142 0.0000 0.0000 62.4217 31.5030 177.7080 72 C 4.4203 9.1398 120.1422 59.5695 40.4814 174.3835 73 K 4.0226 8.3473 122.4159 57.3586 31.7851 176.2933 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 17 P 0.00 4.16 0.00 0.86 1.38 0.00 3.46 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 18 C 8.22 5.07 0.00 3.34 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.74 4.97 0.00 3.03 3.01 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 0.00 0.00 0.00 20 D 9.99 4.34 0.00 2.67 2.72 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 0.00 0.00 0.00 21 S 7.63 4.59 0.00 3.70 3.72 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 0.00 0.00 0.00 22 C 8.44 4.95 0.00 2.98 2.98 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 23 V 8.38 4.46 1.92 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 0.91 0.00 0.00 0.88 0.00 0.00 24 C 8.69 5.71 0.00 2.85 3.01 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 0.00 0.00 0.00 25 T 8.90 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 1.21 0.00 0.00 26 K 8.35 4.26 0.00 1.73 1.78 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.41 7.81 27 S 7.30 4.54 0.00 3.95 3.81 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 0.00 0.00 0.00 28 I 8.18 4.49 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 1.47 0.96 0.91 0.00 0.00 29 P 0.00 4.60 0.00 2.36 2.05 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 30 P 0.00 4.41 0.00 2.14 2.23 0.00 3.65 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.02 0.00 31 Q 8.60 4.98 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 32 C 9.23 5.73 0.00 2.77 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 33 H 8.93 5.18 0.00 3.15 3.28 0.00 5.25 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 C 8.73 5.18 0.00 3.03 3.04 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 0.00 0.00 0.00 35 T 8.44 4.27 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 1.15 0.00 0.00 36 N 7.99 4.28 0.00 2.74 2.82 0.00 0.00 6.95 7.45 0.00 0.00 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 I 8.21 4.51 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 1.35 0.81 0.91 0.00 0.00 38 R 8.88 4.67 0.00 1.73 1.94 0.00 3.11 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 39 L 8.36 4.56 0.00 1.60 1.58 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 40 N 10.12 4.50 0.00 2.87 2.97 0.00 0.00 6.19 7.60 0.00 0.00 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 S 7.57 4.67 0.00 3.93 3.77 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 C 8.67 4.49 0.00 2.98 3.05 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 *43 H 8.37 4.41 0.00 2.83 2.97 0.00 7.20 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.70 4.10 0.00 3.78 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 45 G 7.82 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.69 4.71 0.00 2.89 3.11 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 47 K 10.78 4.12 0.00 1.78 1.96 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.41 7.81 48 S 8.88 4.78 0.00 3.74 3.73 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 49 C 8.88 5.35 0.00 2.94 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 50 L 9.21 4.77 0.00 1.67 1.48 0.92 0.83 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 51 C 8.87 5.40 0.00 2.87 2.97 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 52 T 8.95 4.53 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 *53 F 8.71 3.94 0.00 2.47 2.22 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 54 S 7.83 4.67 0.00 3.93 3.87 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 0.00 0.00 0.00 55 I 7.57 3.59 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 1.10 1.07 0.91 0.00 0.00 56 P 0.00 4.38 0.00 2.16 2.16 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 57 G 8.46 3.78 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 0.00 0.00 0.00 58 S 8.95 5.07 0.00 3.77 3.83 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 59 C 9.06 5.35 0.00 2.95 2.98 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 60 R 8.96 4.95 0.00 1.79 1.71 0.00 3.09 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 61 C 8.82 4.99 0.00 3.03 2.99 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 62 L 9.37 4.07 0.00 1.53 1.69 0.92 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.98 4.28 0.00 2.67 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.30 4.47 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.75 0.92 0.00 0.00 65 A 8.47 4.63 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 N 8.67 5.26 0.00 2.88 2.95 0.00 0.00 7.06 7.45 0.00 0.00 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 F 6.61 4.82 0.00 3.04 2.97 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 68 C 8.52 4.88 0.00 2.96 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.22 4.69 0.00 2.97 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.80 4.31 0.00 1.79 1.78 0.00 1.71 0.00 0.00 1.85 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.57 1.54 7.81 71 P 0.00 5.11 0.00 1.95 2.00 0.00 3.76 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.99 0.00 72 C 9.14 4.42 0.00 3.36 3.15 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 73 K 8.35 4.02 0.00 1.86 1.84 0.00 1.61 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.48 7.81 * Residues marked with a * may have inaccurate shift predictions.