NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 L 4.3351 8.0433 122.7538 54.7320 43.7787 175.4667 10 L 4.1845 8.6153 127.0414 53.6298 42.3987 174.6217 11 L 4.9080 9.3422 126.0270 53.4048 46.2992 174.2404 12 E 5.1355 8.5371 120.7730 55.0310 34.8537 174.6159 13 C 4.7912 8.6179 117.8869 58.2166 31.3661 173.2501 14 T 4.1134 8.3006 119.2183 60.0285 68.4164 174.6836 15 E 3.7238 7.7220 128.6413 56.4953 29.6881 176.0227 16 C 3.4307 8.1678 112.3156 59.6786 24.4254 172.8779 17 K 4.1826 8.0566 121.6955 55.9226 33.1724 176.0292 18 R 4.5056 7.2123 113.7183 54.3789 32.1897 175.4899 19 R 4.0603 8.1259 113.5339 57.5104 30.4879 172.7766 20 N 4.3911 8.9891 119.3200 54.2603 40.1693 173.0618 21 Y 5.2621 8.2709 120.9971 56.8291 40.0446 175.0560 22 A 4.2658 9.2203 130.5911 52.0386 21.9352 174.7249 23 T 4.1319 8.1719 106.7381 61.3743 69.8107 170.8037 24 E 4.6160 7.6336 125.5059 55.4778 32.8788 179.1232 25 K 4.4127 8.2573 127.0994 57.9935 33.6351 173.7927 26 N 4.7818 8.5055 126.1201 52.2523 40.8671 176.0779 27 K 4.5799 8.3595 118.4997 56.1459 36.1978 179.5454 28 R 3.3448 9.0043 118.2748 57.3936 29.8388 177.1507 29 N 4.2359 9.5050 120.9358 57.4189 39.2217 175.4711 30 T 4.1689 8.0767 105.8621 61.1779 69.7414 173.6964 31 P 4.0553 0.0000 0.0000 62.4852 28.0319 173.9478 32 N 4.7038 7.1740 117.9821 51.1079 42.0057 173.7681 33 K 4.7427 9.1203 133.2487 57.0556 34.6954 172.2765 34 L 3.6731 8.5802 130.6938 54.0740 41.4077 174.1626 35 E 4.6096 8.2959 120.5408 54.7606 32.3159 173.4960 36 L 5.2370 7.9521 127.0102 52.9362 42.9792 175.9959 37 R 4.3061 8.5406 118.3048 55.1907 33.8891 174.1140 38 K 4.2102 9.0567 126.2601 57.7166 32.6595 175.6585 39 Y 4.8149 7.9760 123.7531 56.2075 42.2973 173.8646 40 C 4.1249 7.9681 126.7231 58.3864 32.2718 171.1197 41 P 4.8736 0.0000 0.0000 60.7926 32.9927 176.3040 42 W 4.9047 8.7324 128.9352 60.4091 31.0887 176.1789 43 C 4.2598 8.1107 118.8338 60.2023 28.8262 173.9972 44 R 4.0684 8.8991 125.3948 55.3495 30.0764 173.1982 45 K 4.7165 8.7004 119.0734 56.7643 29.7185 178.4005 46 H 4.6257 8.1360 121.3174 56.2836 27.3505 177.1329 47 T 3.7984 8.8626 103.7157 62.1250 66.6567 173.8827 48 V 3.7313 8.2095 115.6410 62.6660 32.5936 173.8910 49 H 4.6981 8.0744 118.3179 55.2230 27.1704 174.3959 50 R 5.3304 8.3035 122.6277 54.3062 32.7056 175.4719 51 E 5.3826 8.3965 118.5956 55.2869 31.8197 174.5931 52 V 4.3493 7.8674 120.4863 62.2480 35.1789 175.4608 *53 K 4.1303 8.5118 121.5726 54.9070 32.3038 171.4958 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 4.34 0.00 1.71 1.61 0.92 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.62 4.18 0.00 1.64 1.57 0.90 0.64 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 9.34 4.91 0.00 1.64 1.58 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.54 5.14 0.00 2.14 2.03 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 2.26 2.35 0.00 13 C 8.62 4.79 0.00 2.70 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 14 T 8.30 4.11 3.87 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 1.15 0.00 0.00 15 E 7.72 3.72 0.00 1.81 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 2.26 2.25 0.00 16 C 8.17 3.43 0.00 3.13 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 17 K 8.06 4.18 0.00 2.01 2.05 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.33 7.81 18 R 7.21 4.51 0.00 1.93 1.93 0.00 3.21 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 19 R 8.13 4.06 0.00 2.10 2.22 0.00 3.18 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 20 N 8.99 4.39 0.00 3.01 2.83 0.00 0.00 6.68 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 8.27 5.26 0.00 2.81 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 22 A 9.22 4.27 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.17 4.13 4.26 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 1.17 0.00 0.00 24 E 7.63 4.62 0.00 1.79 1.38 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 2.07 2.12 0.00 25 K 8.26 4.41 0.00 1.68 1.66 0.00 1.58 0.00 0.00 0.61 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.23 1.22 7.81 26 N 8.51 4.78 0.00 2.62 2.89 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 8.36 4.58 0.00 1.67 1.73 0.00 1.89 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.33 1.39 7.81 28 R 9.00 3.34 0.00 1.86 1.56 0.00 3.25 0.00 0.00 3.22 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 29 N 9.50 4.24 0.00 2.69 2.90 0.00 0.00 6.84 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 8.08 4.17 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 4.06 0.00 2.09 2.03 0.00 3.71 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 2.01 2.13 0.00 32 N 7.17 4.70 0.00 2.63 2.99 0.00 0.00 7.10 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 9.12 4.74 0.00 1.81 1.73 0.00 1.98 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.18 1.15 7.81 34 L 8.58 3.67 0.00 1.84 1.67 0.92 0.87 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 35 E 8.30 4.61 0.00 2.07 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 2.25 2.34 0.00 36 L 7.95 5.24 0.00 1.65 1.61 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.54 4.31 0.00 1.79 1.81 0.00 3.34 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.54 0.00 38 K 9.06 4.21 0.00 1.73 1.83 0.00 1.84 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.50 7.81 39 Y 7.98 4.81 0.00 2.73 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 4.12 0.00 2.88 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 4.87 0.00 2.49 2.26 0.00 3.85 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 42 W 8.73 4.90 0.00 3.22 3.14 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 43 C 8.11 4.26 0.00 3.05 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 44 R 8.90 4.07 0.00 1.95 2.05 0.00 3.35 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.69 0.00 45 K 8.70 4.72 0.00 1.97 2.01 0.00 2.22 0.00 0.00 2.21 0.00 0.00 3.16 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.44 1.57 7.81 46 H 8.14 4.63 0.00 3.29 3.05 0.00 5.49 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.86 3.80 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 1.32 0.00 0.00 48 V 8.21 3.73 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 0.78 0.00 0.00 0.95 0.00 0.00 49 H 8.07 4.70 0.00 3.56 3.30 0.00 6.08 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 8.30 5.33 0.00 1.70 1.85 0.00 3.55 0.00 0.00 3.48 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.39 0.00 51 E 8.40 5.38 0.00 1.97 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 2.23 2.14 0.00 52 V 7.87 4.35 2.28 0.00 0.00 0.00 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 1.00 0.00 0.00 *53 K 8.51 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.91 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.