NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 L 4.2645 8.0433 120.5779 54.5996 43.7684 175.8236 10 L 4.4489 8.6397 124.0838 53.8056 41.1004 174.6944 11 L 4.8464 8.1345 123.6497 53.3383 44.8627 175.0108 12 E 5.0836 8.4489 116.9963 55.4372 32.5739 174.2300 13 C 5.3505 8.6476 118.7868 57.8460 30.4933 173.1582 14 T 4.2871 8.0930 119.5145 60.2742 66.5643 173.0574 15 E 3.7526 8.0986 130.6179 56.1421 30.7049 176.0620 16 C 3.9914 8.6574 121.6894 60.2002 29.5528 173.7405 17 K 3.9980 10.0034 123.7660 56.7519 28.8248 176.4373 18 R 4.4815 7.1291 114.8138 56.4185 33.3076 173.6287 19 R 4.2994 7.9416 114.3173 57.2193 29.3992 175.1486 20 N 4.7775 9.2252 114.4868 53.5873 39.3316 172.4134 21 Y 5.0119 8.4022 116.6767 56.8456 41.9819 174.6792 22 A 4.2978 8.5374 123.4362 51.1063 21.4655 176.5342 23 T 3.5592 7.8417 104.3395 62.9668 67.2687 171.7243 24 E 4.3470 7.8519 128.8828 57.6929 32.8181 178.9931 25 K 4.9690 8.0544 122.3678 57.8526 34.4961 175.0059 26 N 4.8035 8.6180 127.7787 52.0315 41.4966 176.1740 27 K 4.5579 8.3364 120.7324 56.9757 35.6049 179.6688 28 R 3.3276 8.7209 120.3557 56.9483 31.3562 176.4939 29 N 4.1788 9.4847 111.8147 56.6372 38.7952 174.7214 30 T 3.6765 8.2980 116.0011 64.0194 67.5456 174.4632 31 P 3.9950 0.0000 0.0000 62.9482 28.0827 174.2732 32 N 4.6000 7.6464 127.4882 52.8363 40.3493 169.7252 33 K 3.9347 9.3038 123.6348 57.0690 32.4101 175.3665 34 L 3.9009 8.5190 121.6621 56.3701 38.0732 174.2998 35 E 4.3200 8.1948 118.7452 55.8665 30.5649 175.8774 36 L 5.1222 7.8600 123.3456 55.8507 42.3066 173.5282 37 R 4.3728 8.9071 116.7856 55.1152 34.9307 173.5225 38 K 4.8560 8.7443 125.0349 56.8443 32.2379 174.3401 39 Y 4.7274 8.4781 127.0752 55.6427 42.0939 173.6827 40 C 4.2133 6.8440 122.5207 56.6506 32.4024 171.6543 41 P 4.9410 0.0000 0.0000 61.4168 32.1742 175.6183 42 W 5.1123 8.6437 127.5571 59.1551 31.2147 176.1080 43 C 4.2078 7.9840 119.0176 58.2074 29.3559 173.0733 44 R 4.0981 7.9466 122.9754 54.9320 29.0939 175.8899 45 K 4.4832 8.1878 117.9592 55.5133 33.3967 176.7376 46 H 4.8378 8.6000 116.7840 55.5904 31.4505 176.1924 47 T 4.6331 8.0262 114.9327 64.3151 68.6974 176.6264 48 V 3.9165 8.7813 124.0390 62.7644 32.7631 171.1900 49 H 4.2348 8.0958 125.4741 55.2470 27.9163 173.8501 50 R 4.7414 8.1266 129.6357 56.0443 32.4126 174.4489 51 E 4.4023 8.3692 120.6737 58.7669 28.5845 175.2763 52 V 3.2805 8.5183 125.9931 63.0005 29.1366 171.7730 *53 K 4.1330 8.2842 126.5235 54.6284 32.2491 173.5755 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 4.26 0.00 1.61 1.65 0.92 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.64 4.45 0.00 1.59 1.63 0.91 0.68 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 11 L 8.13 4.85 0.00 1.58 1.54 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.45 5.08 0.00 2.07 1.89 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 2.22 2.60 0.00 13 C 8.65 5.35 0.00 2.74 2.94 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 0.00 0.00 0.00 0.00 14 T 8.09 4.29 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 1.26 0.00 0.00 15 E 8.10 3.75 0.00 1.92 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 0.00 2.23 2.15 0.00 16 C 8.66 3.99 0.00 3.10 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 10.00 4.00 0.00 1.95 2.03 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.30 1.35 7.81 18 R 7.13 4.48 0.00 1.86 1.83 0.00 3.17 0.00 0.00 3.26 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.96 0.00 19 R 7.94 4.30 0.00 1.90 1.84 0.00 3.22 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 20 N 9.23 4.78 0.00 3.00 2.81 0.00 0.00 6.70 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 8.40 5.01 0.00 2.97 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 8.54 4.30 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.84 3.56 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 1.23 0.00 0.00 24 E 7.85 4.35 0.00 1.88 1.77 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 2.17 2.29 0.00 25 K 8.05 4.97 0.00 1.68 1.66 0.00 1.58 0.00 0.00 2.35 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.17 1.30 7.81 26 N 8.62 4.80 0.00 2.64 2.86 0.00 0.00 6.93 7.61 0.00 0.00 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 8.34 4.56 0.00 1.71 1.71 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.33 7.81 28 R 8.72 3.33 0.00 1.84 1.43 0.00 3.27 0.00 0.00 3.22 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 29 N 9.48 4.18 0.00 2.75 2.89 0.00 0.00 6.83 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 8.30 3.68 4.27 0.00 0.00 0.00 0.00 0.00 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 4.00 0.00 2.09 2.26 0.00 3.62 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 1.99 2.10 0.00 32 N 7.65 4.60 0.00 2.80 2.63 0.00 0.00 7.29 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 9.30 3.93 0.00 1.96 1.85 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.39 7.81 34 L 8.52 3.90 0.00 1.82 1.85 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.19 4.32 0.00 1.95 1.83 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 2.27 2.35 0.00 36 L 7.86 5.12 0.00 1.78 1.59 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.91 4.37 0.00 1.69 1.83 0.00 3.20 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.47 0.00 38 K 8.74 4.86 0.00 1.82 1.84 0.00 1.59 0.00 0.00 2.37 0.00 0.00 2.76 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.63 7.81 39 Y 8.48 4.73 0.00 2.72 2.06 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 40 C 6.84 4.21 0.00 2.61 2.30 0.00 0.00 0.00 0.00 0.00 0.00 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 4.94 0.00 2.29 2.24 0.00 3.52 0.00 0.00 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.03 0.00 42 W 8.64 5.11 0.00 3.20 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 43 C 7.98 4.21 0.00 2.99 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 7.95 4.10 0.00 2.01 2.01 0.00 3.28 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.70 0.00 45 K 8.19 4.48 0.00 1.76 1.75 0.00 1.81 0.00 0.00 1.84 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.40 7.81 46 H 8.60 4.84 0.00 3.31 3.42 0.00 5.48 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.03 4.63 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 1.24 0.00 0.00 48 V 8.78 3.92 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 0.96 0.00 0.00 0.95 0.00 0.00 49 H 8.10 4.23 0.00 3.41 3.36 0.00 5.80 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.13 4.74 0.00 1.84 1.82 0.00 3.28 0.00 0.00 3.40 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.55 0.00 51 E 8.37 4.40 0.00 2.11 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.22 0.00 52 V 8.52 3.28 2.13 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 0.77 0.00 0.00 0.95 0.00 0.00 *53 K 8.28 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.