NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 L 4.4214 8.0276 122.7537 54.9803 43.7377 175.4477 10 L 4.8761 8.4192 125.2683 54.2034 43.0525 173.4936 11 L 4.9209 8.4033 119.2254 53.8921 47.3157 175.5950 12 E 5.0380 8.6688 117.3143 55.7933 33.2797 174.0317 13 C 5.3552 8.7688 116.6800 57.2705 31.5095 172.9606 14 T 4.4158 8.3404 117.7093 59.6078 69.8779 172.3018 15 E 3.8161 8.0397 130.6970 56.1266 30.7402 175.1021 16 C 4.0025 8.5952 125.5393 64.0947 27.9799 173.4908 17 K 4.3726 9.3840 124.4640 55.6737 30.2270 177.1392 18 R 4.4998 6.8074 116.6968 56.9672 33.9143 172.8614 19 R 4.4167 7.7825 120.4564 53.5843 28.1988 179.4894 20 N 3.8376 8.9939 112.6921 55.2461 38.5500 171.0176 21 Y 5.5797 8.0573 115.4838 58.5131 41.8664 174.0935 22 A 4.4256 8.1708 119.1798 51.7225 22.6333 173.4209 23 T 3.9607 8.0027 110.8648 60.7794 70.5831 171.3630 24 E 4.5481 7.9606 122.7345 56.5623 33.2135 174.4388 25 K 4.7876 8.3322 121.8356 57.4190 33.8462 175.3253 26 N 4.6272 8.6207 121.6774 53.4442 39.0796 174.7517 27 K 4.5296 7.9701 116.1966 56.0489 33.5049 178.4817 28 R 3.7100 8.4068 117.6037 57.1739 29.4899 176.6465 29 N 4.0805 8.3228 114.1337 55.3177 39.7318 174.8214 30 T 3.5565 8.5101 109.8566 63.1579 69.1581 173.6754 31 P 4.0046 0.0000 0.0000 62.3941 27.7736 174.1071 32 N 4.9892 8.5026 119.0836 51.6669 42.2834 172.2209 33 K 4.4322 9.9622 117.6531 55.5438 33.1928 175.1051 34 L 3.6646 8.1748 121.4641 55.7870 39.0060 174.7643 35 E 4.3801 8.5786 120.2604 55.7055 31.1958 176.1466 36 L 5.1458 8.2569 126.9036 55.9563 42.5179 174.5480 37 R 4.7685 8.6129 122.0943 53.8662 33.7524 175.0319 38 K 4.7118 8.4225 121.1409 56.3178 33.7601 174.9639 39 Y 4.5704 9.1262 123.9411 57.0309 42.8973 172.1604 40 C 4.7462 7.8140 125.8010 57.9139 31.3074 170.8021 41 P 5.1416 0.0000 0.0000 60.5515 33.4405 175.8904 42 W 5.0848 9.2422 130.9130 60.8573 30.8412 176.5883 43 C 4.4741 7.2803 118.8025 59.7613 29.8662 174.7005 44 R 3.8544 8.9782 128.6324 56.0308 28.5752 178.5258 45 K 4.5124 8.6473 105.3678 55.6511 36.0990 174.5528 46 H 4.7668 9.0909 120.4481 56.1183 30.3122 173.1124 47 T 4.8357 8.6913 107.4802 61.1900 72.0756 174.3964 48 V 4.2362 8.4166 118.7169 61.6248 32.7817 176.4203 49 H 4.4032 7.5132 112.4493 56.2440 26.4513 173.2491 50 R 5.1816 8.0313 123.9071 53.7320 33.2116 175.4829 51 E 4.5076 8.9122 121.1644 56.6070 30.5928 176.8237 52 V 4.4634 8.2577 125.8532 62.2881 33.4149 172.2006 *53 K 4.1074 8.5355 123.9550 54.9401 32.3038 174.0282 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 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.42 4.88 0.00 1.73 1.61 0.90 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.40 4.92 0.00 1.68 1.53 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.67 5.04 0.00 2.05 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 2.13 2.22 0.00 13 C 8.77 5.36 0.00 2.59 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 8.34 4.42 3.82 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 0.00 0.00 1.26 0.00 0.00 15 E 8.04 3.82 0.00 2.14 1.73 0.00 0.00 0.00 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 2.27 0.00 16 C 8.60 4.00 0.00 2.97 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 17 K 9.38 4.37 0.00 1.77 2.22 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.26 1.26 7.81 18 R 6.81 4.50 0.00 1.79 1.66 0.00 3.18 0.00 0.00 3.25 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 19 R 7.78 4.42 0.00 1.99 1.30 0.00 3.12 0.00 0.00 3.28 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 20 N 8.99 3.84 0.00 2.81 2.73 0.00 0.00 6.64 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 21 Y 8.06 5.58 0.00 2.93 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 8.17 4.43 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 8.00 3.96 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 1.26 0.00 0.00 24 E 7.96 4.55 0.00 1.92 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 2.22 2.15 0.00 25 K 8.33 4.79 0.00 1.80 1.82 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.36 7.81 26 N 8.62 4.63 0.00 2.73 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 7.97 4.53 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 3.05 0.00 0.00 0.00 0.00 1.32 1.38 7.81 28 R 8.41 3.71 0.00 1.90 1.77 0.00 3.25 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 1.62 0.00 29 N 8.32 4.08 0.00 2.73 2.70 0.00 0.00 6.82 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 8.51 3.56 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 4.00 0.00 2.10 2.15 0.00 3.64 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 8.50 4.99 0.00 2.59 2.78 0.00 0.00 7.32 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 9.96 4.43 0.00 1.88 1.92 0.00 1.97 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.24 1.15 7.81 34 L 8.17 3.66 0.00 1.79 1.73 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.58 4.38 0.00 2.12 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 2.33 2.30 0.00 36 L 8.26 5.15 0.00 1.85 1.62 0.93 0.73 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 37 R 8.61 4.77 0.00 1.68 1.92 0.00 3.37 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 38 K 8.42 4.71 0.00 1.83 1.77 0.00 1.84 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.63 7.81 39 Y 9.13 4.57 0.00 2.91 2.38 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 0.00 0.00 0.00 40 C 7.81 4.75 0.00 2.47 2.35 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 0.00 41 P 0.00 5.14 0.00 2.35 2.28 0.00 3.85 0.00 0.00 4.01 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 42 W 9.24 5.08 0.00 3.21 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 7.28 4.47 0.00 3.11 2.97 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 0.00 0.00 0.00 44 R 8.98 3.85 0.00 1.97 1.50 0.00 3.33 0.00 0.00 3.19 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.68 0.00 45 K 8.65 4.51 0.00 1.65 1.69 0.00 1.89 0.00 0.00 1.84 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.27 1.30 7.81 46 H 9.09 4.77 0.00 3.20 3.52 0.00 5.51 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 8.69 4.84 4.25 0.00 0.00 0.00 0.00 0.00 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 8.42 4.24 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 0.79 0.00 0.00 0.95 0.00 0.00 49 H 7.51 4.40 0.00 3.49 3.34 0.00 6.04 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.03 5.18 0.00 1.70 1.80 0.00 3.31 0.00 0.00 3.40 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 51 E 8.91 4.51 0.00 1.95 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 0.00 2.32 2.43 0.00 52 V 8.26 4.46 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.00 0.00 0.00 *53 K 8.54 4.11 0.00 1.54 1.66 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.02 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.