NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.1932 8.3149 121.8010 56.1873 33.4615 174.2397 *4 R 4.7999 8.1295 117.1013 56.6061 31.4930 175.6724 5 K 4.3286 8.6157 120.4729 55.1596 36.2976 174.7573 6 L 4.3966 8.4554 127.8157 54.8453 42.0991 178.3260 7 V 3.8656 8.9835 124.2371 65.9847 31.6183 178.2097 8 K 4.0291 7.9112 117.2983 59.0860 32.6641 177.0517 9 D 4.4739 7.8807 118.6154 53.9424 40.7327 175.9691 10 F 3.6416 7.4604 119.8238 55.9994 39.3507 176.1503 11 G 4.0306 8.1935 116.8591 44.7208 0.0000 172.9214 12 D 4.5342 8.6542 118.3568 56.6949 40.8505 176.9643 13 D 4.5480 8.0940 116.8415 54.1461 39.8839 175.2351 14 Y 5.0470 7.7357 116.8662 56.7163 41.3801 175.0486 15 T 4.7705 8.9912 117.6845 61.7317 71.8602 173.1337 16 L 4.4598 8.7129 128.5243 54.5457 43.2739 175.6393 17 I 4.3929 8.8085 127.6198 59.9263 39.0135 176.0537 18 Q 4.2995 8.5592 124.6634 55.1290 30.9885 176.0201 19 D 4.3899 7.8527 118.7192 53.7919 42.1981 175.9731 20 S 4.1194 8.8409 123.6811 62.2124 62.9473 176.8958 21 Q 4.0054 8.0990 119.6964 58.9526 28.5129 178.5990 22 E 3.9431 8.7733 119.8868 59.3188 29.5515 179.4797 23 V 3.4985 8.1177 118.6288 65.9312 31.6207 177.8280 24 K 3.8888 8.3972 119.4267 59.5283 31.9222 178.4252 25 A 4.0556 8.1586 120.9314 55.3870 18.3193 179.7453 26 I 3.7554 7.8418 118.2804 64.4529 37.0458 178.7056 27 L 4.0518 8.0731 119.9186 57.7598 41.3520 179.4615 28 E 3.9600 8.4133 118.5923 59.4084 29.2008 178.3457 29 Y 4.2440 8.0639 118.9487 60.8786 38.9531 177.9056 30 I 4.0170 7.7939 110.0098 60.4663 38.0738 175.8910 31 G 3.8127 7.9349 108.5641 46.7288 0.0000 173.5773 32 S 4.5788 8.1621 113.7384 57.0431 63.3107 173.7384 33 E 4.5537 8.4877 124.3475 56.0099 30.0452 176.2894 34 E 4.2052 8.1040 119.1585 56.7365 30.3922 176.6244 35 E 4.7877 8.2864 118.6973 54.9616 30.1963 174.5361 36 P 4.5128 0.0000 0.0000 63.4206 32.3530 176.1970 37 H 4.7614 8.2977 115.3357 57.1151 29.5058 175.1185 38 A 4.9130 8.1235 119.0581 50.3306 23.0884 174.7550 39 L 5.0630 8.5854 117.7091 53.2708 47.1238 175.4424 40 F 5.3229 9.0287 118.8665 55.9648 42.0016 174.9455 41 V 5.2109 9.0157 116.4029 59.4018 35.9187 174.4792 42 K 4.7098 9.1440 124.6176 54.6804 34.7434 174.7838 43 V 4.6775 8.5516 127.6975 61.6678 32.9878 175.3635 44 G 4.0626 9.5200 115.8393 45.8852 0.0000 172.3518 45 D 4.4860 9.6818 122.4984 55.5490 38.1841 173.8672 46 G 3.8834 8.0754 99.7414 45.9758 0.0000 171.2920 47 D 4.2715 7.5205 117.8029 53.1881 44.4852 173.3934 48 Y 4.9210 8.2473 118.7930 57.3024 38.0949 175.4568 49 E 4.3239 9.5170 127.8605 58.7906 30.5692 176.7364 50 E 5.1346 8.2048 116.8093 54.8166 34.7674 174.7221 51 V 5.0032 8.9180 122.1908 61.2214 35.1017 174.0681 52 W 5.2278 9.7567 127.6708 54.8907 32.9308 174.6901 53 G 3.8157 8.6456 111.0259 44.5823 0.0000 172.8367 54 I 4.8144 8.3185 122.4083 59.4649 40.5337 175.5521 55 D 4.5784 9.4266 127.9192 57.0528 41.5432 177.2885 56 S 4.8784 7.8633 109.8419 56.7372 65.4049 173.9579 57 F 4.3304 8.7020 130.4650 56.8733 37.6763 174.3916 58 V 4.2306 7.2160 117.2684 57.2565 31.9337 171.4942 59 P 4.0292 0.0000 0.0000 63.0117 30.8307 176.0450 60 Y 4.8943 7.8299 121.1666 54.5062 41.1319 176.3784 61 N 3.8300 8.8619 118.2859 56.5191 38.5344 176.0799 62 F 4.4389 7.4018 112.6828 56.8551 39.3874 175.3453 63 L 3.9235 6.7933 125.4007 54.9412 42.6059 175.7764 64 E 5.3087 8.8677 122.8235 54.5582 33.1868 174.6019 65 A 5.2382 9.3418 122.2715 50.3989 22.6358 174.8911 66 Y 5.3332 8.3019 117.8037 54.8819 40.8809 175.1890 67 R 3.3908 8.8465 123.7102 56.4872 30.0066 175.6907 68 L 4.6690 8.8080 125.8072 55.1449 44.6170 176.6385 69 K 4.0091 7.4174 124.1144 56.6791 32.1993 175.0914 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 K 8.31 4.19 0.00 1.84 2.07 0.00 1.83 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.72 1.57 7.81 *4 R 8.13 4.80 0.00 1.90 2.04 0.00 3.76 0.00 0.00 3.53 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 5 K 8.62 4.33 0.00 1.39 0.81 0.00 0.62 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.37 0.86 7.81 6 L 8.46 4.40 0.00 1.71 1.46 0.85 0.88 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 7 V 8.98 3.87 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 1.09 0.00 0.00 1.01 0.00 0.00 8 K 7.91 4.03 0.00 1.82 1.82 0.00 1.53 0.00 0.00 1.49 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.27 1.33 7.81 9 D 7.88 4.47 0.00 2.39 2.43 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 0.00 10 F 7.46 3.64 0.00 2.23 1.78 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 11 G 8.19 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.65 4.53 0.00 2.68 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 13 D 8.09 4.55 0.00 2.58 2.71 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 14 Y 7.74 5.05 0.00 2.79 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 15 T 8.99 4.77 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 1.25 0.00 0.00 16 L 8.71 4.46 0.00 1.56 1.43 -0.20 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.81 4.39 1.74 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 1.29 0.80 0.84 0.00 0.00 18 Q 8.56 4.30 0.00 1.83 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.94 0.00 0.00 0.00 0.00 0.00 1.96 1.85 0.00 19 D 7.85 4.39 0.00 2.75 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.84 4.12 0.00 3.90 3.93 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 21 Q 8.10 4.01 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 22 E 8.77 3.94 0.00 2.14 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 2.41 0.00 23 V 8.12 3.50 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.90 0.00 0.00 24 K 8.40 3.89 0.00 1.90 1.99 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.48 7.81 25 A 8.16 4.06 1.43 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 0.00 0.00 0.00 26 I 7.84 3.76 1.90 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.89 0.61 0.00 0.00 27 L 8.07 4.05 0.00 1.87 1.89 0.99 0.75 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 28 E 8.41 3.96 0.00 2.24 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 2.36 2.45 0.00 29 Y 8.06 4.24 0.00 3.12 3.37 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 30 I 7.79 4.02 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 1.79 0.81 1.10 0.00 0.00 31 G 7.93 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 0.00 0.00 0.00 32 S 8.16 4.58 0.00 3.85 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 33 E 8.49 4.55 0.00 1.99 1.95 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 0.00 2.23 2.30 0.00 34 E 8.10 4.21 0.00 2.08 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 2.39 2.55 0.00 35 E 8.29 4.79 0.00 1.90 1.86 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 2.20 2.42 0.00 36 P 0.00 4.51 0.00 2.45 2.18 0.00 3.90 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 37 H 8.30 4.76 0.00 3.25 3.39 0.00 5.60 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.12 4.91 1.04 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 0.00 0.00 39 L 8.59 5.06 0.00 1.41 1.49 0.82 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 40 F 9.03 5.32 0.00 2.51 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.02 5.21 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 0.50 0.00 0.00 1.11 0.00 0.00 42 K 9.14 4.71 0.00 1.44 1.68 0.00 1.19 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.23 1.22 7.81 43 V 8.55 4.68 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 0.82 0.00 0.00 1.02 0.00 0.00 44 G 9.52 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.68 4.49 0.00 2.78 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 46 G 8.08 3.88 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 0.00 0.00 0.00 47 D 7.52 4.27 0.00 2.69 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.25 4.92 0.00 3.19 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 49 E 9.52 4.32 0.00 1.98 2.12 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 2.38 2.33 0.00 50 E 8.20 5.13 0.00 2.33 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 2.48 2.47 0.00 51 V 8.92 5.00 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 0.90 0.00 0.00 0.83 0.00 0.00 52 W 9.76 5.23 0.00 3.16 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 53 G 8.65 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.32 4.81 1.88 0.00 0.00 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 1.21 0.86 0.98 0.00 0.00 55 D 9.43 4.58 0.00 2.73 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.86 4.88 0.00 3.86 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 8.70 4.33 0.00 2.96 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 58 V 7.22 4.23 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 0.85 0.00 0.00 0.98 0.00 0.00 59 P 0.00 4.03 0.00 2.05 1.67 0.00 3.64 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.90 0.00 60 Y 7.83 4.89 0.00 3.21 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 61 N 8.86 3.83 0.00 2.58 2.22 0.00 0.00 6.90 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 62 F 7.40 4.44 0.00 3.16 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 L 6.79 3.92 0.00 1.14 1.23 1.04 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.87 5.31 0.00 2.09 1.93 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 2.25 2.40 0.00 65 A 9.34 5.24 1.43 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 0.00 0.00 0.00 66 Y 8.30 5.33 0.00 3.08 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 67 R 8.85 3.39 0.00 0.94 1.58 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.28 0.00 68 L 8.81 4.67 0.00 1.56 1.65 0.88 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.42 4.01 0.00 1.69 1.56 0.00 1.84 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.45 7.81 * Residues marked with a * may have inaccurate shift predictions.