NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 L 4.3331 8.0433 122.7540 54.9081 43.7474 175.3416 10 L 4.5262 8.4083 126.0244 53.1770 43.1990 174.3344 11 L 4.5243 7.8495 121.4396 54.2344 45.8027 172.6632 12 E 5.0999 8.3229 122.0030 54.7808 32.9283 174.5254 13 C 5.2957 8.5179 116.0838 57.3889 31.8529 173.0442 14 T 4.5347 7.7286 117.1416 59.8632 69.4286 174.4407 15 E 3.3841 8.1664 127.4570 55.7048 29.2063 175.7979 16 C 3.7840 8.3109 109.5945 60.1222 28.4349 172.5571 17 K 4.0454 10.3440 121.8217 56.1521 28.7042 176.1069 18 R 4.6456 7.1195 114.3387 55.3354 32.8905 175.7877 19 R 4.3278 7.9820 121.6970 54.0933 28.5192 177.1979 20 N 4.1863 9.0264 118.6444 53.0231 39.2680 171.5934 21 Y 5.8635 8.4137 117.0588 57.0105 42.1430 174.6101 22 A 4.3178 8.4535 122.5126 51.5296 21.2840 176.1872 23 T 3.6545 7.7447 102.6947 62.8318 67.9798 171.9332 24 E 4.4137 8.2351 130.5261 55.7988 28.3651 179.8931 25 K 5.0070 8.5231 135.0000 57.0494 33.6058 173.3335 26 N 4.6688 7.7041 125.2993 54.4186 39.1077 175.9191 27 K 4.3187 8.7564 114.6708 61.2198 33.5266 180.8840 28 R 3.2874 7.8041 117.4564 59.1947 30.5339 177.5833 29 N 3.8912 7.5579 111.1746 57.4107 39.0563 176.3696 30 T 4.2420 8.1773 108.7523 60.4507 70.2204 172.2683 31 P 4.0508 0.0000 0.0000 61.8564 31.7358 175.0239 32 N 4.4713 8.2428 123.3390 53.4884 40.8110 169.1905 33 K 3.9161 8.9137 123.9212 57.2257 32.4563 175.7519 34 L 3.4300 8.3477 119.6994 55.6919 38.3882 171.8088 35 E 4.3291 8.6270 118.4405 54.2999 29.6778 175.5519 36 L 4.7625 8.2342 126.3998 53.9300 42.7165 176.1272 37 R 4.6792 8.0955 121.1531 54.0338 34.4106 174.9912 38 K 4.1343 8.7141 124.4164 57.9465 32.6864 174.6957 39 Y 4.7368 8.6263 125.3974 57.0050 42.9298 172.4766 40 C 4.5363 7.1537 123.8699 56.7360 33.0333 172.5388 41 P 5.3568 0.0000 0.0000 61.6670 32.6494 175.1486 42 W 5.1151 8.8301 125.7111 57.6536 31.9020 175.4653 43 C 4.4806 7.7520 116.5691 58.7511 32.5711 171.8622 44 R 3.6672 8.7866 128.7469 55.7096 26.4425 176.3077 45 K 4.0974 8.4269 121.4491 56.7890 33.6601 177.6318 46 H 4.9455 8.3592 119.4072 56.2956 27.7697 173.7995 47 T 4.9217 9.2703 115.6324 62.0625 71.4974 173.9448 48 V 3.7636 8.5622 113.4873 63.1601 32.9372 175.7477 49 H 4.9674 8.1284 117.7304 55.0190 28.0844 174.1138 50 R 4.8573 7.7003 117.9072 55.7233 34.5759 174.2786 51 E 4.1829 8.9753 123.4882 56.7611 28.1675 179.4590 52 V 3.5456 8.9081 128.0166 63.7944 32.2542 171.3184 *53 K 4.1330 8.3886 123.0552 54.8577 32.2491 176.7793 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 4.33 0.00 1.74 1.60 0.92 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.41 4.53 0.00 1.64 1.56 0.91 0.63 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 11 L 7.85 4.52 0.00 1.63 1.42 0.96 0.88 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 12 E 8.32 5.10 0.00 2.16 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 2.30 2.63 0.00 13 C 8.52 5.30 0.00 2.80 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 7.73 4.53 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 1.20 0.00 0.00 15 E 8.17 3.38 0.00 2.09 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 2.26 2.21 0.00 16 C 8.31 3.78 0.00 3.15 2.96 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 17 K 10.34 4.05 0.00 1.91 2.10 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.33 7.81 18 R 7.12 4.65 0.00 1.83 1.87 0.00 3.18 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.85 0.00 19 R 7.98 4.33 0.00 1.95 1.17 0.00 3.23 0.00 0.00 3.28 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 20 N 9.03 4.19 0.00 2.93 2.69 0.00 0.00 6.67 7.56 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 21 Y 8.41 5.86 0.00 3.00 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 22 A 8.45 4.32 0.53 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 0.00 0.00 23 T 7.74 3.65 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 1.23 0.00 0.00 24 E 8.24 4.41 0.00 1.93 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 2.12 2.25 0.00 25 K 8.52 5.01 0.00 1.74 1.75 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.16 1.47 7.81 26 N 7.70 4.67 0.00 2.62 2.79 0.00 0.00 6.82 7.49 0.00 0.00 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 8.76 4.32 0.00 1.72 1.72 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.36 7.81 28 R 7.80 3.29 0.00 1.84 2.11 0.00 3.25 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 29 N 7.56 3.89 0.00 2.79 2.82 0.00 0.00 6.92 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 8.18 4.24 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 31 P 0.00 4.05 0.00 2.07 2.01 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 32 N 8.24 4.47 0.00 2.71 2.58 0.00 0.00 7.26 6.68 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 33 K 8.91 3.92 0.00 1.96 1.85 0.00 1.96 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.39 7.81 34 L 8.35 3.43 0.00 1.73 1.66 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.63 4.33 0.00 1.94 1.99 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 2.25 2.26 0.00 36 L 8.23 4.76 0.00 1.74 1.60 0.93 0.68 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 8.10 4.68 0.00 1.69 1.82 0.00 3.34 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 38 K 8.71 4.13 0.00 1.79 1.77 0.00 1.86 0.00 0.00 1.72 0.00 0.00 2.69 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.64 7.81 39 Y 8.63 4.74 0.00 2.84 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 0.00 0.00 0.00 40 C 7.15 4.54 0.00 2.70 2.39 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 41 P 0.00 5.36 0.00 2.33 2.24 0.00 3.36 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 42 W 8.83 5.12 0.00 3.18 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 43 C 7.75 4.48 0.00 2.92 2.81 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 44 R 8.79 3.67 0.00 2.01 1.98 0.00 3.47 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 45 K 8.43 4.10 0.00 1.75 1.82 0.00 1.85 0.00 0.00 1.88 0.00 0.00 3.09 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.51 1.44 7.81 46 H 8.36 4.95 0.00 3.28 3.05 0.00 5.46 0.00 0.00 0.00 0.00 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 9.27 4.92 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 48 V 8.56 3.76 2.11 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 0.74 0.00 0.00 0.95 0.00 0.00 49 H 8.13 4.97 0.00 3.62 3.34 0.00 6.03 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.70 4.86 0.00 1.76 1.79 0.00 3.28 0.00 0.00 3.35 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 51 E 8.98 4.18 0.00 2.03 1.32 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 2.36 2.50 0.00 52 V 8.91 3.55 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 0.94 0.00 0.00 0.94 0.00 0.00 *53 K 8.39 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.99 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.