NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 L 4.4258 8.0276 122.7543 54.9326 43.8435 175.0847 10 L 4.9294 8.4441 125.4640 54.0912 42.5518 173.7592 11 L 5.0701 8.3109 120.7187 53.5262 47.0799 175.7884 12 E 5.0057 8.4716 116.0471 56.1607 32.9596 174.5804 13 C 5.7024 8.5834 117.4995 57.5791 31.3291 172.7625 14 T 4.6570 8.2248 118.1888 58.9654 69.2458 173.3245 15 E 3.8220 7.6680 128.6219 56.7389 30.8362 176.8386 16 C 4.3942 8.4814 119.8279 60.2645 27.4913 173.5365 17 K 4.3350 9.7819 122.6609 55.7711 29.8212 177.0460 18 R 4.4122 7.2210 115.5874 55.4880 31.0778 172.9312 19 R 3.4994 9.2586 116.8816 57.7193 27.6204 178.2581 20 N 3.6835 9.1709 111.5019 54.3649 40.7287 170.4615 21 Y 5.2754 8.4652 120.0995 57.9042 42.3052 174.4848 22 A 4.4949 8.2096 119.3255 51.2224 23.0791 173.8912 23 T 3.5080 8.0474 109.9754 61.8301 70.5077 171.4185 24 E 4.6535 8.8537 123.2839 56.6046 35.8217 174.9053 25 K 5.1849 8.3192 122.5822 58.1177 34.0798 175.5591 26 N 4.5943 8.8971 122.9113 52.8192 39.6865 175.0048 27 K 4.4630 8.0632 116.3812 55.6681 33.3783 177.4580 28 R 3.7805 8.1473 118.3074 56.9766 29.0183 176.7713 29 N 4.0789 8.1929 114.4760 55.8935 40.0142 174.8754 30 T 3.6592 8.4209 104.3170 63.0617 69.3370 173.1058 31 P 4.2647 0.0000 0.0000 62.8673 27.5305 173.7442 32 N 5.0439 8.9188 118.9108 50.5698 42.4117 173.7660 33 K 4.7854 9.2820 130.3842 57.2605 34.2421 174.1640 34 L 4.4632 8.5729 123.3822 55.8825 39.9901 173.7832 35 E 4.5169 9.0846 116.1512 55.4031 31.2173 175.5980 36 L 5.1612 8.2121 123.2630 54.3945 43.2075 175.1990 37 R 4.8266 8.5322 121.1829 53.9332 34.3211 174.6623 38 K 4.5401 8.6790 122.4990 56.6937 33.4960 175.4355 39 Y 4.7098 9.5417 125.8644 56.8601 42.8714 172.4723 40 C 4.4519 8.0055 127.0306 58.3608 32.1212 170.7807 41 P 5.2039 0.0000 0.0000 60.6214 33.7478 175.9384 42 W 4.5877 9.1747 129.9615 59.9298 31.0334 176.5829 43 C 4.4795 7.4651 117.2372 57.4599 27.5499 173.0495 44 R 4.0485 8.7397 126.4889 54.0701 27.1405 177.4328 45 K 4.8105 8.4996 112.0604 56.1112 35.7189 175.2167 46 H 4.6461 9.0479 120.5609 56.2283 29.8057 174.2403 47 T 4.8414 8.2213 107.7083 60.6356 71.7651 173.9305 48 V 3.6026 8.5244 118.3754 61.3431 32.9877 172.9893 49 H 4.5462 7.7979 121.7269 54.7414 28.3301 174.2544 50 R 4.7749 8.0183 121.9804 53.7980 32.9131 176.3670 51 E 3.9295 7.8660 115.7679 56.0649 30.4279 174.5248 52 V 4.2316 8.6122 115.4707 61.9470 32.6077 172.0359 *53 K 4.1330 8.3525 126.8953 54.9056 32.2491 175.2677 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 8.03 4.43 0.00 1.71 1.59 0.92 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.44 4.93 0.00 1.74 1.62 0.91 0.28 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 11 L 8.31 5.07 0.00 1.56 1.55 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.47 5.01 0.00 2.09 1.96 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 2.10 2.39 0.00 13 C 8.58 5.70 0.00 2.53 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 4.66 3.65 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 1.18 0.00 0.00 15 E 7.67 3.82 0.00 1.98 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 2.30 2.30 0.00 16 C 8.48 4.39 0.00 2.94 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 17 K 9.78 4.33 0.00 1.77 2.25 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.27 1.27 7.81 18 R 7.22 4.41 0.00 1.82 1.79 0.00 3.17 0.00 0.00 3.25 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.97 0.00 19 R 9.26 3.50 0.00 2.02 1.87 0.00 3.02 0.00 0.00 3.30 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 20 N 9.17 3.68 0.00 2.85 2.99 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 8.47 5.28 0.00 2.93 2.74 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 22 A 8.21 4.49 0.54 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 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.05 3.51 4.29 0.00 0.00 0.00 0.00 0.00 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 24 E 8.85 4.65 0.00 1.78 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.35 0.00 25 K 8.32 5.18 0.00 1.71 1.82 0.00 1.18 0.00 0.00 2.36 0.00 0.00 2.72 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.28 7.81 26 N 8.90 4.59 0.00 2.63 2.89 0.00 0.00 6.95 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 8.06 4.46 0.00 1.69 1.75 0.00 1.90 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.38 7.81 28 R 8.15 3.78 0.00 1.92 1.79 0.00 3.26 0.00 0.00 3.22 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 29 N 8.19 4.08 0.00 2.73 2.75 0.00 0.00 6.81 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 8.42 3.66 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 4.26 0.00 2.10 2.12 0.00 3.63 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 2.12 0.00 32 N 8.92 5.04 0.00 2.54 2.77 0.00 0.00 7.05 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 9.28 4.79 0.00 1.90 1.79 0.00 1.94 0.00 0.00 1.63 0.00 0.00 2.75 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.21 1.09 7.81 34 L 8.57 4.46 0.00 1.78 1.76 0.92 1.05 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 35 E 9.08 4.52 0.00 2.09 2.22 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 2.54 2.30 0.00 36 L 8.21 5.16 0.00 1.86 1.65 0.93 0.70 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 8.53 4.83 0.00 1.67 1.89 0.00 3.38 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 38 K 8.68 4.54 0.00 1.83 1.77 0.00 1.83 0.00 0.00 1.62 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.49 7.81 39 Y 9.54 4.71 0.00 3.06 2.65 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 0.00 40 C 8.01 4.45 0.00 2.48 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 5.20 0.00 2.40 2.29 0.00 3.84 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.14 0.00 42 W 9.17 4.59 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 7.47 4.48 0.00 3.23 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 8.74 4.05 0.00 1.84 2.02 0.00 3.35 0.00 0.00 3.20 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.65 0.00 45 K 8.50 4.81 0.00 1.72 1.76 0.00 1.88 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.21 1.17 7.81 46 H 9.05 4.65 0.00 3.19 3.53 0.00 5.47 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.22 4.84 4.20 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 0.00 0.00 0.00 1.22 0.00 0.00 48 V 8.52 3.60 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 0.76 0.00 0.00 0.93 0.00 0.00 49 H 7.80 4.55 0.00 3.62 3.23 0.00 6.06 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.02 4.77 0.00 1.81 1.84 0.00 3.30 0.00 0.00 3.39 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.52 0.00 51 E 7.87 3.93 0.00 2.16 2.27 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 2.30 2.26 0.00 52 V 8.61 4.23 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 1.01 0.00 0.00 0.98 0.00 0.00 *53 K 8.35 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.17 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.