NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 L 4.3146 8.0433 122.7520 54.8113 44.1166 175.0528 10 L 4.5794 8.3323 123.1827 53.4812 42.7178 174.7962 11 L 4.9639 8.3072 122.6165 52.7672 46.6626 175.2184 12 E 4.8511 8.0665 116.0045 54.6765 31.9489 174.9973 13 C 5.1850 8.6946 123.2414 59.5272 29.5631 172.7629 14 T 4.8668 8.6478 118.4606 60.4325 69.1255 174.3641 15 E 3.7638 8.6863 127.1542 55.3043 29.4335 173.8494 16 C 3.7629 8.5081 113.9056 59.4239 30.4515 173.3685 17 K 4.3804 8.9336 120.7976 57.0505 30.2491 175.3290 18 R 4.5613 7.1441 120.9291 55.2462 30.4609 175.3806 19 R 4.1533 8.2417 123.6668 56.6652 31.8831 173.9247 20 N 3.9562 8.3137 118.7803 53.4769 38.8335 171.4761 21 Y 5.5276 8.2277 115.0980 57.8781 42.0468 174.3856 22 A 4.1328 8.5601 122.3448 52.0397 20.2911 174.3043 23 T 3.5218 7.9410 110.3302 61.8711 68.0264 171.7743 24 E 4.5357 8.2015 128.2214 55.4495 29.7660 179.7482 25 K 4.3626 8.2382 125.5344 57.1817 35.0635 173.2974 26 N 5.1144 8.5096 125.9223 52.9774 39.5699 176.8892 27 K 4.4685 8.6693 123.2288 57.9305 36.5687 179.2975 28 R 3.2556 8.9540 120.6050 57.3071 31.2969 177.8227 29 N 4.0839 9.3183 111.7299 56.5257 39.0118 174.6823 30 T 3.6544 8.0981 117.2661 64.5129 67.6627 174.2876 31 P 3.9429 0.0000 0.0000 63.3256 27.4157 174.7878 32 N 5.1387 7.8595 122.7017 52.7386 41.2535 172.3116 33 K 4.1340 8.7619 117.3939 57.6720 31.9761 175.5906 34 L 3.5133 8.2810 119.4329 55.7001 39.0390 175.4596 35 E 4.2769 8.0149 118.5929 55.0891 29.8595 175.2113 36 L 4.8321 8.2291 126.9686 54.5855 42.8091 175.6640 37 R 4.8020 8.4208 122.0024 53.6942 34.2667 175.3279 38 K 4.5802 8.7110 123.0184 57.3984 33.2065 174.8912 39 Y 4.8785 8.8177 125.7931 57.2186 43.2161 172.4308 40 C 4.5526 7.1443 121.3733 56.6504 33.8083 171.6495 41 P 4.7361 0.0000 0.0000 62.0526 33.0271 175.2372 42 W 5.1433 8.8313 126.8304 57.8639 31.5087 176.0185 43 C 4.1363 7.8437 117.7965 59.1084 30.5469 174.1732 44 R 3.2863 8.6812 119.9239 57.1568 26.3352 176.1333 45 K 4.3198 8.0452 125.0272 55.9608 34.7190 178.5810 46 H 4.8773 8.6836 115.2837 56.2271 28.2948 176.9613 47 T 4.7450 6.8973 111.9419 61.2761 70.9942 175.1914 48 V 3.8041 8.3093 115.6468 62.6348 31.8349 176.5520 49 H 4.5540 8.0593 116.5852 55.1099 28.1325 173.1391 50 R 4.9030 7.8701 116.2838 54.8461 34.0692 174.6535 51 E 3.7880 9.0625 119.4576 57.2237 28.6561 176.2398 52 V 3.2199 5.4500 115.1869 63.0528 30.2732 171.0787 *53 K 4.1330 7.6514 124.0790 54.6221 32.2491 177.0986 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 9 L 8.04 4.31 0.00 1.73 1.58 0.90 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.33 4.58 0.00 1.61 1.54 0.90 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.31 4.96 0.00 1.47 1.46 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.07 4.85 0.00 1.70 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.92 0.00 13 C 8.69 5.19 0.00 2.81 2.95 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 0.00 0.00 0.00 14 T 8.65 4.87 4.65 0.00 0.00 0.00 0.00 0.00 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 15 E 8.69 3.76 0.00 1.86 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 2.21 2.18 0.00 16 C 8.51 3.76 0.00 3.30 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 17 K 8.93 4.38 0.00 1.92 1.93 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.34 1.38 7.81 18 R 7.14 4.56 0.00 1.66 1.37 0.00 3.31 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.92 0.00 19 R 8.24 4.15 0.00 1.77 1.83 0.00 3.19 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 20 N 8.31 3.96 0.00 2.81 2.78 0.00 0.00 6.68 7.54 0.00 0.00 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 Y 8.23 5.53 0.00 2.91 2.86 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 22 A 8.56 4.13 0.14 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 0.00 0.00 0.00 23 T 7.94 3.52 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 24 E 8.20 4.54 0.00 1.82 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 2.07 2.23 0.00 25 K 8.24 4.36 0.00 1.64 1.62 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.14 1.44 7.81 26 N 8.51 5.11 0.00 2.74 2.73 0.00 0.00 6.84 7.77 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 27 K 8.67 4.47 0.00 1.72 1.71 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.36 7.81 28 R 8.95 3.26 0.00 1.90 1.48 0.00 3.20 0.00 0.00 3.33 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 29 N 9.32 4.08 0.00 2.75 2.86 0.00 0.00 6.82 7.54 0.00 0.00 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 T 8.10 3.65 4.38 0.00 0.00 0.00 0.00 0.00 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 31 P 0.00 3.94 0.00 2.10 2.26 0.00 3.61 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 1.99 2.09 0.00 32 N 7.86 5.14 0.00 2.81 2.69 0.00 0.00 7.21 6.56 0.00 0.00 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 K 8.76 4.13 0.00 1.97 1.87 0.00 1.96 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.31 1.39 7.81 34 L 8.28 3.51 0.00 1.76 1.71 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.01 4.28 0.00 1.90 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 2.24 2.34 0.00 36 L 8.23 4.83 0.00 1.80 1.61 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.42 4.80 0.00 1.64 1.83 0.00 3.37 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 38 K 8.71 4.58 0.00 1.84 1.80 0.00 1.87 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.62 1.68 7.81 39 Y 8.82 4.88 0.00 2.85 2.31 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 40 C 7.14 4.55 0.00 2.98 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 P 0.00 4.74 0.00 2.35 2.16 0.00 3.72 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.28 0.00 42 W 8.83 5.14 0.00 3.10 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 C 7.84 4.14 0.00 3.00 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 44 R 8.68 3.29 0.00 1.88 2.10 0.00 3.28 0.00 0.00 3.18 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 45 K 8.05 4.32 0.00 1.76 1.82 0.00 1.79 0.00 0.00 1.86 0.00 0.00 3.25 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.48 1.47 7.81 46 H 8.68 4.88 0.00 3.24 2.49 0.00 5.47 0.00 0.00 0.00 0.00 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 6.90 4.75 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 1.27 0.00 0.00 48 V 8.31 3.80 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 0.85 0.00 0.00 0.96 0.00 0.00 49 H 8.06 4.55 0.00 3.43 3.34 0.00 5.89 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.87 4.90 0.00 1.82 1.83 0.00 3.30 0.00 0.00 3.41 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 51 E 9.06 3.79 0.00 2.10 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 2.34 2.23 0.00 52 V 5.45 3.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 1.00 0.00 0.00 *53 K 7.65 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.