NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.2476 8.2493 123.5827 52.2086 19.9260 175.9705 5 H 4.6986 8.4117 118.7213 53.5004 29.9501 173.6033 6 F 4.9134 8.7231 124.4969 56.6192 43.3559 174.3453 7 F 4.1961 7.0675 127.8973 56.2364 42.0049 173.6126 8 E 3.9772 7.6228 129.1989 54.7628 28.7019 175.9095 9 G 3.8090 8.5432 116.5906 48.5157 0.0000 173.0367 10 T 3.7981 7.9248 116.0712 64.2015 68.7130 173.2227 11 E 4.5380 8.5813 125.5001 54.8575 31.3273 175.5060 12 K 4.3846 8.3759 120.8717 54.8862 33.2617 175.8541 13 L 4.6237 8.4634 125.7968 52.8780 43.8017 174.8921 14 L 4.6925 8.4682 127.3101 53.0215 44.3315 174.8595 15 E 4.5399 8.7545 125.7130 54.2938 32.0777 174.4715 16 V 4.3503 8.2971 125.1662 60.7083 34.1584 174.1736 17 W 4.7641 8.7725 126.7349 55.2410 31.5450 175.2708 18 F 4.6730 8.5845 123.4876 57.5244 37.7071 178.9653 *28 G 3.7746 8.4258 111.3816 46.4871 0.0000 171.8613 29 S 4.3343 7.8845 112.8988 58.2533 64.5836 175.7035 30 G 3.8498 8.8606 107.9955 45.8005 0.0000 172.8338 31 D 4.5598 7.6613 118.4579 52.5410 44.1474 175.9241 32 L 4.0408 8.6785 126.9802 57.7761 41.8610 179.0305 33 R 4.3328 8.2507 116.0407 58.0727 30.0134 177.8111 34 T 4.0448 7.6702 114.7281 65.8553 68.7149 175.2839 35 I 3.5335 7.5610 122.8594 60.4812 37.4092 174.3901 36 P 4.4320 0.0000 0.0000 62.0600 32.1857 177.3667 37 R 4.2448 8.8115 121.0738 59.9003 29.8225 179.1258 38 S 4.3431 8.0883 113.2706 61.2636 62.9804 176.1401 39 E 3.9261 8.0193 122.4736 58.8011 29.0884 179.0897 40 W 4.5631 7.7523 118.6787 59.8921 28.9773 178.0764 41 D 4.4407 8.2396 117.9930 57.4025 40.5402 178.7647 42 I 3.8709 7.6181 120.1234 64.3721 37.0137 178.1221 43 L 4.0052 8.0026 121.1367 58.3292 41.9074 178.8698 44 L 4.0421 8.4381 118.3962 56.8594 41.3357 179.4699 45 K 4.0401 7.7760 118.5604 59.5398 32.0522 178.6471 46 D 4.4950 7.5309 117.8551 57.2818 40.7564 178.6890 47 V 3.6753 7.5393 117.5912 63.6088 32.5043 175.2962 48 Q 3.7157 9.6498 115.5053 55.5320 25.2397 171.3168 49 C 4.7937 7.4125 110.2232 57.9337 32.7489 172.7300 50 S 4.7352 8.4916 113.2799 56.8669 66.4935 173.4037 51 I 4.6350 8.4214 122.4372 61.4779 36.7983 175.8306 52 I 4.3935 8.9282 121.1089 61.2941 39.2700 175.6612 53 S 4.6883 7.7185 116.3654 57.1073 65.9390 172.7814 54 V 4.6820 8.0913 123.8504 61.4959 34.6952 174.6025 55 T 4.4918 8.7860 123.7063 61.9827 72.1729 172.8033 56 K 4.9833 8.6950 126.1236 54.8526 34.5316 175.9033 57 T 4.7239 8.5386 114.3073 59.5264 71.5816 173.1594 58 D 4.4408 8.7319 119.6106 57.0740 41.3640 177.3726 59 K 4.3614 7.9984 116.8465 57.4047 33.3829 176.2415 60 Q 4.6144 7.9746 114.4179 54.4047 31.7634 172.9661 61 E 5.0421 8.7164 117.6090 54.5322 31.9336 175.2591 62 A 4.9098 8.9551 126.3205 50.3092 21.9410 174.7617 63 Y 5.0348 8.6490 118.2019 56.1277 41.6123 175.0237 64 V 4.3683 8.5623 123.4827 61.3067 33.5348 174.4796 65 L 5.5071 8.5909 127.0714 52.9715 44.8518 175.7474 66 S 4.8062 8.7394 115.6555 56.3361 66.8492 173.8925 67 E 4.1760 8.7292 120.4624 56.6030 29.4940 176.2044 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 4 A 8.25 4.25 1.27 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 0.00 0.00 0.00 5 H 8.41 4.70 0.00 3.37 3.37 0.00 5.53 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 F 8.72 4.91 0.00 2.99 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 7 F 7.07 4.20 0.00 2.81 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 E 7.62 3.98 0.00 1.96 1.58 0.00 0.00 0.00 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 2.30 0.00 9 G 8.54 3.81 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 0.00 0.00 0.00 10 T 7.92 3.80 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 1.22 0.00 0.00 11 E 8.58 4.54 0.00 1.94 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 2.27 2.53 0.00 12 K 8.38 4.38 0.00 1.73 1.74 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.40 7.81 13 L 8.46 4.62 0.00 1.55 1.54 0.92 0.95 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 14 L 8.47 4.69 0.00 1.58 1.49 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.75 4.54 0.00 1.93 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 2.32 2.21 0.00 16 V 8.30 4.35 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.88 0.00 0.00 17 W 8.77 4.76 0.00 3.24 3.17 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 0.00 0.00 0.00 18 F 8.58 4.67 0.00 3.05 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *28 G 8.43 3.77 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 0.00 0.00 0.00 29 S 7.88 4.33 0.00 3.97 3.98 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 30 G 8.86 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 31 D 7.66 4.56 0.00 2.65 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 32 L 8.68 4.04 0.00 1.79 1.82 0.99 0.67 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 33 R 8.25 4.33 0.00 1.99 2.06 0.00 3.20 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.66 0.00 34 T 7.67 4.04 4.37 0.00 0.00 0.00 0.00 0.00 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 35 I 7.56 3.53 1.65 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.38 -0.30 0.00 0.00 36 P 0.00 4.43 0.00 2.08 1.93 0.00 3.37 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 37 R 8.81 4.24 0.00 2.12 2.04 0.00 3.47 0.00 0.00 3.65 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.87 0.00 38 S 8.09 4.34 0.00 4.08 4.12 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 0.00 0.00 0.00 0.00 39 E 8.02 3.93 0.00 1.77 1.65 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 2.17 2.26 0.00 40 W 7.75 4.56 0.00 3.52 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 41 D 8.24 4.44 0.00 2.86 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.62 3.87 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.74 0.91 0.00 0.00 43 L 8.00 4.01 0.00 1.77 2.08 1.16 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.44 4.04 0.00 1.76 1.89 0.88 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.78 4.04 0.00 1.97 1.89 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.72 7.81 46 D 7.53 4.50 0.00 2.96 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.54 3.68 2.24 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 0.88 0.00 0.00 0.95 0.00 0.00 48 Q 9.65 3.72 0.00 2.28 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.42 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 49 C 7.41 4.79 0.00 3.25 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 50 S 8.49 4.74 0.00 3.91 3.97 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 51 I 8.42 4.64 1.98 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.57 1.13 0.00 0.00 52 I 8.93 4.39 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.62 0.92 0.00 0.00 53 S 7.72 4.69 0.00 3.86 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 0.00 54 V 8.09 4.68 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.76 0.00 0.00 55 T 8.79 4.49 4.15 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 1.16 0.00 0.00 56 K 8.70 4.98 0.00 1.56 1.66 0.00 1.65 0.00 0.00 1.90 0.00 0.00 2.74 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.20 1.27 7.81 57 T 8.54 4.72 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 1.19 0.00 0.00 58 D 8.73 4.44 0.00 2.64 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 59 K 8.00 4.36 0.00 1.79 1.85 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.38 7.81 60 Q 7.97 4.61 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.76 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 61 E 8.72 5.04 0.00 2.01 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 2.20 2.32 0.00 62 A 8.96 4.91 1.15 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 0.00 0.00 63 Y 8.65 5.03 0.00 2.59 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.56 4.37 2.07 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 0.92 0.00 0.00 0.91 0.00 0.00 65 L 8.59 5.51 0.00 1.54 1.62 0.87 0.82 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 66 S 8.74 4.81 0.00 3.85 3.91 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 67 E 8.73 4.18 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 * Residues marked with a * may have inaccurate shift predictions.