NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 L 4.4229 8.0276 122.7535 54.9316 43.8119 175.2601 10 L 4.9367 8.4292 125.3198 54.3455 42.4715 173.7522 11 L 5.0759 8.5128 120.3222 53.3457 47.2315 175.6247 12 E 5.0442 8.6232 116.9197 55.5881 33.5097 174.1985 13 C 5.7516 8.6534 115.4315 57.2927 32.1309 173.1447 14 T 4.7589 8.3877 118.1375 59.0742 69.1214 173.3671 15 E 3.8612 7.7455 130.2165 56.5296 30.9141 175.9761 16 C 4.4848 8.4829 119.2475 59.7253 28.7596 174.0290 17 K 4.0985 10.0238 124.7769 56.5786 29.0468 177.1674 18 R 4.4621 7.2383 115.2959 56.7207 33.0086 172.2562 19 R 3.7650 8.8069 117.3288 57.1692 27.8034 178.5750 20 N 3.6480 8.8453 116.5853 53.7137 41.6527 170.3134 21 Y 5.4334 8.4383 118.8522 59.0881 42.2663 173.5774 22 A 4.5831 8.7590 120.2790 51.5150 24.8268 173.5786 23 T 4.1101 8.1171 111.5772 60.8119 70.8589 170.9041 24 E 4.4265 7.9684 125.5323 55.5782 35.0842 175.4429 25 K 5.3413 8.4210 125.3989 57.7381 33.8357 175.8490 26 N 4.4764 8.8333 123.1455 53.2458 39.5197 174.9305 27 K 4.5112 8.0806 116.1563 55.4068 34.2757 178.8941 28 R 3.6349 8.5859 118.9200 56.8753 29.2971 176.5310 29 N 3.7944 8.8816 109.8529 56.4180 39.8452 174.5363 30 T 3.5409 8.3320 110.8364 62.5807 69.0737 173.7049 31 P 4.0112 0.0000 0.0000 62.6062 27.6722 174.1031 32 N 4.8616 7.9667 118.7175 51.6506 41.9615 172.2057 33 K 3.9590 9.6519 122.8842 57.2997 34.0762 175.3207 34 L 3.8376 8.4291 126.2415 54.8467 37.0943 174.4085 35 E 4.4610 8.6932 120.8195 55.3447 31.1805 176.2840 36 L 5.5278 8.1819 127.3025 54.8241 43.0420 175.2104 37 R 4.7760 8.3258 121.3214 54.1121 34.7800 174.5595 38 K 4.7685 8.6435 122.0358 55.7760 33.0636 174.9464 39 Y 5.0150 9.2793 128.1981 56.1884 43.0333 172.8817 40 C 4.6906 7.5636 123.8950 57.3483 31.4539 171.1473 41 P 4.7698 0.0000 0.0000 60.6028 33.3734 176.0654 42 W 5.0758 9.0027 130.0980 60.8146 30.7804 176.4943 43 C 4.4500 7.2971 116.8432 57.8307 27.4849 174.1568 44 R 4.0363 9.4523 128.2003 55.5270 27.7169 178.9159 45 K 4.3083 8.4428 105.6647 55.6397 35.7135 174.1978 46 H 4.6181 8.7570 118.4530 55.9718 29.8144 173.4153 47 T 4.5589 8.3309 113.3913 63.3018 72.0303 174.2675 48 V 3.9948 8.3624 112.6558 61.4035 33.4091 173.2059 49 H 4.6439 7.8539 119.5328 54.9718 27.7435 174.3089 50 R 5.0955 8.2935 122.0138 53.1607 33.1364 175.7562 51 E 4.3276 8.1363 117.9140 56.7374 30.4088 175.8962 52 V 3.6688 8.6735 118.7129 62.9634 32.2625 172.1124 *53 K 4.1330 8.5088 125.9039 54.9060 32.2491 174.5540 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 4.42 0.00 1.71 1.59 0.91 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.43 4.94 0.00 1.74 1.73 0.90 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.51 5.08 0.00 1.62 1.56 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.62 5.04 0.00 2.17 1.91 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 2.45 2.39 0.00 13 C 8.65 5.75 0.00 2.74 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 14 T 8.39 4.76 4.07 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 1.18 0.00 0.00 15 E 7.75 3.86 0.00 2.11 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 2.28 2.27 0.00 16 C 8.48 4.48 0.00 2.94 2.83 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 0.00 0.00 0.00 17 K 10.02 4.10 0.00 1.88 2.07 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.33 7.81 18 R 7.24 4.46 0.00 1.83 1.73 0.00 3.26 0.00 0.00 3.26 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.48 0.00 19 R 8.81 3.76 0.00 2.04 1.61 0.00 2.98 0.00 0.00 3.32 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 20 N 8.85 3.65 0.00 2.88 3.17 0.00 0.00 6.73 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 8.44 5.43 0.00 3.00 2.77 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 0.00 0.00 0.00 22 A 8.76 4.58 0.68 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 0.00 0.00 23 T 8.12 4.11 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 7.97 4.43 0.00 1.81 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.15 0.00 25 K 8.42 5.34 0.00 1.69 1.82 0.00 1.18 0.00 0.00 2.34 0.00 0.00 2.69 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.28 7.81 26 N 8.83 4.48 0.00 2.62 2.91 0.00 0.00 6.94 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 8.08 4.51 0.00 1.68 1.74 0.00 1.89 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.31 1.37 7.81 28 R 8.59 3.63 0.00 1.89 1.73 0.00 3.27 0.00 0.00 3.22 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 29 N 8.88 3.79 0.00 2.74 2.73 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 8.33 3.54 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 4.01 0.00 2.10 2.14 0.00 3.68 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 2.00 2.12 0.00 32 N 7.97 4.86 0.00 2.60 2.81 0.00 0.00 7.28 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 9.65 3.96 0.00 1.88 1.92 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.23 1.14 7.81 34 L 8.43 3.84 0.00 1.75 1.98 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.69 4.46 0.00 2.23 1.84 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 2.28 2.30 0.00 36 L 8.18 5.53 0.00 1.79 1.60 0.93 0.71 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 8.33 4.78 0.00 1.78 1.85 0.00 3.21 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 38 K 8.64 4.77 0.00 1.82 1.80 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.65 7.81 39 Y 9.28 5.01 0.00 2.93 2.61 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 0.00 0.00 0.00 0.00 40 C 7.56 4.69 0.00 2.36 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 41 P 0.00 4.77 0.00 2.32 2.19 0.00 3.73 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 2.13 2.14 0.00 42 W 9.00 5.08 0.00 3.16 3.10 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 0.00 0.00 0.00 0.00 43 C 7.30 4.45 0.00 3.55 2.89 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 0.00 0.00 0.00 44 R 9.45 4.04 0.00 1.89 1.49 0.00 3.28 0.00 0.00 3.19 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.67 0.00 45 K 8.44 4.31 0.00 1.74 1.68 0.00 1.85 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.30 7.81 46 H 8.76 4.62 0.00 3.27 3.46 0.00 5.52 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 47 T 8.33 4.56 4.16 0.00 0.00 0.00 0.00 0.00 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 48 V 8.36 3.99 2.09 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 0.88 0.00 0.00 0.92 0.00 0.00 49 H 7.85 4.64 0.00 3.65 3.33 0.00 6.06 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.29 5.10 0.00 1.84 1.87 0.00 3.58 0.00 0.00 3.36 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.49 0.00 51 E 8.14 4.33 0.00 2.09 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 2.29 2.25 0.00 52 V 8.67 3.67 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.97 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 3.09 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.