NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 A 4.3516 8.2649 123.5846 51.4584 19.9155 176.3930 11 E 3.9849 8.6403 118.4573 57.9697 29.4670 177.1628 12 F 5.7528 7.5652 109.3997 56.8787 41.1106 172.6849 13 T 4.8772 8.7657 112.6150 60.1380 72.1305 172.3937 14 F 5.2879 8.1305 116.2990 55.9463 41.5165 173.2706 15 E 4.4383 8.8943 120.4033 55.0920 33.3441 174.1912 16 I 4.0765 8.3708 128.1898 61.0988 36.3959 175.5291 17 E 4.1104 8.8008 128.3270 58.9240 30.1157 177.4788 18 E 4.6157 7.7861 118.2727 54.9450 33.5252 173.1830 19 H 4.9486 8.7117 125.7304 55.2488 30.4905 174.0354 20 L 4.4781 8.3839 125.6798 56.3134 43.3429 177.0124 21 L 4.3603 7.2918 117.2818 54.3655 45.5314 173.4637 22 T 4.9382 8.6044 122.5354 62.4144 69.4626 174.3874 23 L 4.5142 9.2416 127.1122 56.9182 43.1780 176.4420 24 S 4.6545 7.6093 111.0984 58.0835 65.6796 174.1710 25 E 5.2899 8.3774 119.3546 54.9049 33.4749 173.8096 26 N 5.0772 8.7855 122.6091 50.9620 40.2259 174.8380 27 E 3.9711 8.9410 118.3782 59.1827 29.6816 177.6503 28 K 4.3482 8.4759 116.0035 56.3241 32.3360 177.4346 29 G 4.1241 8.3158 108.6284 44.6424 0.0000 174.4247 30 W 4.5621 8.5862 120.3446 57.1750 30.3231 175.1466 31 T 5.1723 9.3914 114.2161 59.8405 71.7582 172.6680 32 K 5.0948 8.9449 125.3247 55.2921 33.9752 174.9844 33 E 5.3520 9.5591 126.1550 54.7930 34.6743 174.8274 34 I 4.7816 9.1603 123.3358 60.1616 39.1772 174.6086 35 N 5.4151 9.2829 124.1824 51.2965 43.2468 173.9262 36 R 4.6274 8.8241 119.9372 55.1138 31.6158 176.0398 37 V 4.8061 8.9510 124.4421 61.0003 35.0933 174.0134 38 S 4.9082 8.8027 122.7612 57.1470 64.2321 172.4815 39 F 5.3698 8.7244 124.9036 56.2857 42.1406 175.2978 40 N 4.1668 9.9291 120.7613 53.3980 36.5926 175.8956 41 G 3.7909 8.4934 102.3091 45.9115 0.0000 174.3087 42 A 4.3412 7.7832 122.1459 50.5054 19.2711 176.0771 43 P 4.3908 0.0000 0.0000 62.7860 31.8454 176.4732 44 A 4.2704 8.6831 125.0482 52.8196 19.0536 176.6911 45 K 4.6351 8.9486 119.0597 53.9950 37.2277 175.8960 46 F 4.4648 8.0523 119.8939 58.2403 40.1167 174.2423 47 D 5.3126 9.4990 122.2093 52.9434 45.0817 173.7469 48 I 5.2217 8.8228 127.2159 60.1283 40.0216 174.8312 49 R 4.7898 8.6916 122.1071 55.5612 33.1052 173.3479 50 A 5.0968 8.2525 121.9890 51.3855 19.7827 177.1351 51 W 5.1621 9.7341 120.6280 54.6323 33.8448 175.4298 52 S 2.7900 7.7414 117.5101 56.6271 63.5669 173.2854 53 P 4.0381 0.0000 0.0000 65.4601 30.9724 177.2236 54 D 4.6173 7.7762 113.4285 52.9177 39.9299 175.9046 55 H 4.2645 7.9532 116.2402 57.4775 26.2248 175.5742 56 T 4.6018 8.0500 109.3938 61.6092 70.1215 173.6665 57 K 4.7180 7.7055 122.1758 54.4892 35.2175 173.6628 *59 G 4.2160 8.1760 105.5459 46.4945 0.0000 172.7744 60 K 4.0071 8.5369 118.0943 57.2945 33.2271 176.9744 61 G 4.0846 7.7932 108.4626 46.2846 0.0000 171.8566 62 I 4.8103 8.5125 119.2474 59.5424 41.6621 174.2462 63 T 5.1918 8.6027 124.7096 61.8388 70.9578 173.5775 64 L 5.2371 9.1897 126.0130 52.7784 45.2880 176.8240 65 S 4.7105 9.4618 117.9782 57.7695 64.2021 174.9089 66 N 4.7067 9.0174 118.8117 56.6978 38.0937 177.2234 67 E 3.9784 8.2397 119.9914 59.3528 29.6556 178.5427 68 E 3.9704 8.0287 117.1042 59.4362 29.6659 178.6945 69 F 4.0780 8.4469 119.6363 61.4205 39.6213 176.6012 70 Q 4.1382 8.4571 119.1483 59.3060 28.7465 178.6499 71 T 3.9258 7.8693 114.0973 64.6288 68.4528 176.2024 *73 V 3.9983 7.7085 116.1266 61.5886 33.4108 176.9448 74 D 4.3945 8.6361 118.4248 56.7597 40.9573 177.8918 75 A 3.8470 8.2275 122.3794 54.7887 18.5655 177.3819 76 F 4.3677 7.8898 117.1150 57.6693 39.1786 176.0196 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 10 A 8.26 4.35 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.64 3.98 0.00 2.12 2.17 0.00 0.00 0.00 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 2.35 0.00 12 F 7.57 5.75 0.00 3.31 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 13 T 8.77 4.88 4.21 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 1.20 0.00 0.00 14 F 8.13 5.29 0.00 2.70 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 15 E 8.89 4.44 0.00 1.93 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 16 I 8.37 4.08 1.60 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.34 0.71 0.00 0.00 17 E 8.80 4.11 0.00 1.87 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 0.00 2.44 2.32 0.00 18 E 7.79 4.62 0.00 1.91 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 19 H 8.71 4.95 0.00 3.01 3.13 0.00 5.96 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.38 4.48 0.00 1.83 1.74 1.07 0.76 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 21 L 7.29 4.36 0.00 1.74 1.49 0.94 0.86 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 22 T 8.60 4.94 4.32 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 0.00 0.00 1.32 0.00 0.00 23 L 9.24 4.51 0.00 1.63 1.75 0.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 24 S 7.61 4.65 0.00 3.87 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 25 E 8.38 5.29 0.00 2.07 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 2.34 2.66 0.00 26 N 8.79 5.08 0.00 2.89 2.99 0.00 0.00 6.73 7.23 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 27 E 8.94 3.97 0.00 1.97 2.05 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 2.32 2.36 0.00 28 K 8.48 4.35 0.00 1.97 1.99 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.53 7.81 29 G 8.32 4.12 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 0.00 30 W 8.59 4.56 0.00 3.44 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.39 5.17 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 32 K 8.94 5.09 0.00 1.96 1.81 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.50 7.81 33 E 9.56 5.35 0.00 2.25 2.02 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 2.41 2.46 0.00 34 I 9.16 4.78 1.99 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.10 1.13 0.00 0.00 35 N 9.28 5.42 0.00 2.70 2.76 0.00 0.00 6.58 7.95 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 36 R 8.82 4.63 0.00 1.52 1.64 0.00 2.32 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.44 0.00 37 V 8.95 4.81 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 0.68 0.00 0.00 1.03 0.00 0.00 38 S 8.80 4.91 0.00 3.96 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 F 8.72 5.37 0.00 3.05 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 40 N 9.93 4.17 0.00 2.97 2.97 0.00 0.00 6.80 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 41 G 8.49 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 42 A 7.78 4.34 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 43 P 0.00 4.39 0.00 1.95 2.01 0.00 3.73 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 2.12 0.00 44 A 8.68 4.27 1.13 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 0.00 0.00 45 K 8.95 4.64 0.00 1.76 1.95 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.62 7.81 46 F 8.05 4.46 0.00 3.21 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 47 D 9.50 5.31 0.00 2.90 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 48 I 8.82 5.22 1.98 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.87 1.01 0.00 0.00 49 R 8.69 4.79 0.00 1.86 1.97 0.00 2.21 0.00 0.00 2.91 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.73 0.00 50 A 8.25 5.10 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.73 5.16 0.00 3.13 2.87 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 52 S 7.74 2.79 0.00 3.28 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.04 0.00 1.97 2.13 0.00 3.30 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 54 D 7.78 4.62 0.00 2.74 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 55 H 7.95 4.26 0.00 3.23 3.32 0.00 5.83 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.05 4.60 4.31 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 1.39 0.00 0.00 57 K 7.71 4.72 0.00 1.77 1.93 0.00 1.81 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.41 7.81 *59 G 8.18 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 60 K 8.54 4.01 0.00 1.67 1.70 0.00 1.65 0.00 0.00 1.77 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.39 7.81 61 G 7.79 4.08 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 0.00 0.00 0.00 62 I 8.51 4.81 1.88 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 1.26 1.37 0.98 0.00 0.00 63 T 8.60 5.19 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 1.43 0.00 0.00 64 L 9.19 5.24 0.00 1.80 1.74 1.12 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 65 S 9.46 4.71 0.00 4.07 4.07 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 66 N 9.02 4.71 0.00 2.91 3.12 0.00 0.00 6.46 7.66 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 67 E 8.24 3.98 0.00 2.14 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 2.41 2.50 0.00 68 E 8.03 3.97 0.00 2.25 2.07 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 2.39 2.38 0.00 69 F 8.45 4.08 0.00 2.93 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 70 Q 8.46 4.14 0.00 2.46 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 71 T 7.87 3.93 4.43 0.00 0.00 0.00 0.00 0.00 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 *73 V 7.71 4.00 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 0.19 0.00 0.00 0.97 0.00 0.00 74 D 8.64 4.39 0.00 2.68 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 A 8.23 3.85 0.96 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 0.00 0.00 0.00 0.00 0.00 76 F 7.89 4.37 0.00 2.97 2.92 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 * Residues marked with a * may have inaccurate shift predictions.