NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.3366 8.2644 123.5907 51.8019 18.9837 176.2284 5 H 4.1002 8.8609 122.4616 56.2104 30.4299 173.4261 6 F 4.8639 8.6497 128.5117 56.3456 42.2188 173.9310 7 F 4.3426 6.9727 127.0121 56.1838 41.9697 174.0054 8 E 4.0334 7.5894 129.0727 54.4837 28.5516 175.6619 9 G 3.8294 8.4207 116.1291 48.4245 0.0000 173.0483 10 T 3.7814 7.8599 115.7232 64.2032 68.7461 173.5285 11 E 4.4176 8.5448 125.1479 55.0149 31.3209 175.6390 12 K 4.4014 8.3446 119.4923 54.8187 33.0894 175.5972 13 L 4.6015 8.3195 126.0327 52.9687 43.6225 175.2900 14 L 4.6529 8.3241 126.4041 53.1123 44.5479 174.9978 15 E 4.4921 8.7985 125.8321 54.3434 31.8736 174.4390 16 V 4.3890 8.2454 125.3405 60.6633 34.2526 174.3096 17 W 4.6614 8.6631 126.0755 54.9354 31.1885 175.2110 18 F 4.9376 8.4927 120.1470 56.3912 41.1963 174.1772 19 S 4.6792 8.3329 116.2919 58.8048 66.2627 174.0688 20 R 4.8107 8.2124 116.6934 55.7536 31.9517 174.3485 21 Q 4.4894 8.3303 112.7091 55.6952 29.4158 174.5916 22 Q 3.9770 8.2649 119.8437 56.4063 28.9240 174.5023 23 P 4.2776 0.0000 0.0000 64.6410 31.3314 177.1160 *27 Q 4.2161 7.9544 115.6830 55.2623 30.1567 175.4430 28 G 4.0030 7.6235 107.8055 45.0470 0.0000 173.2401 29 S 4.1857 8.8557 122.7324 59.3295 63.2819 175.2115 30 G 3.8717 8.8097 106.4412 45.7952 0.0000 172.8193 31 D 4.5270 7.6374 118.7229 52.6752 43.8954 175.9594 32 L 4.0713 8.6777 127.2683 57.7236 41.8824 179.1051 33 R 4.3107 7.9195 115.7449 58.1871 30.0582 177.8611 34 T 4.0513 7.7135 114.8217 65.9933 68.7005 175.3058 35 I 3.5107 7.5916 122.8254 60.6502 36.9114 174.3176 36 P 4.4917 0.0000 0.0000 62.0566 32.3909 177.0411 37 R 4.1542 8.9052 119.4318 60.1190 29.7245 178.5865 38 S 4.1416 8.1265 114.0290 61.9875 62.8602 176.5241 39 E 3.8513 7.6559 120.2175 59.1485 29.0687 179.6111 40 W 4.4982 7.6441 118.5575 59.8759 29.3594 178.2178 41 D 4.5689 8.3795 118.9451 57.2563 40.2057 179.0114 42 I 3.7564 7.7993 120.4686 64.2408 36.7278 178.0879 43 L 4.0014 8.0708 121.2494 58.3071 41.9597 179.0214 44 L 4.1816 8.6439 118.9828 57.1552 41.3949 179.2993 45 K 4.0154 7.8954 119.8313 59.4880 31.8773 178.6063 46 D 4.3653 7.7878 118.0507 57.3759 40.8357 178.6892 47 V 3.6433 7.1964 116.5246 63.7624 32.3059 175.2997 48 Q 3.7168 8.9375 115.5953 55.8620 25.2627 171.1489 49 C 4.9361 7.9887 110.8629 57.7944 33.7279 174.0073 50 S 4.7651 8.7295 113.2166 57.1026 67.5595 173.6398 51 I 4.7043 8.3872 122.9963 60.9359 37.3050 175.8840 52 I 4.4185 8.7708 120.5592 60.9745 38.7544 175.7542 53 S 4.6796 7.5868 116.8067 57.9311 67.2608 174.1907 54 V 4.5399 8.2222 122.0999 61.5754 34.5540 174.4103 55 T 4.5351 8.3962 123.6567 61.7605 71.8661 172.9382 56 K 4.8763 8.6950 125.8274 54.7871 34.6434 175.5372 57 T 4.6744 8.1690 112.9466 59.3509 71.8415 173.4443 58 D 4.4398 8.7402 119.9737 56.8521 41.2608 176.9440 59 K 4.4113 7.9261 116.5293 57.2835 33.5574 176.2493 60 Q 4.6057 8.0870 115.0760 54.7093 31.5474 172.7035 61 E 5.0923 8.6230 118.4305 54.6587 31.7088 175.2012 62 A 4.9366 8.5214 125.2472 50.3970 22.4700 174.6883 63 Y 5.0642 8.4042 116.3873 56.3191 42.2857 174.7731 64 V 4.3445 8.5403 123.3283 61.4778 33.5546 174.7933 65 L 5.7986 8.1286 126.1253 52.8591 45.2977 175.7441 66 S 4.6262 8.0260 113.1145 57.6299 67.4413 175.4734 67 E 4.1667 8.8993 122.5437 56.7971 29.2762 176.8082 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 8.26 4.34 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.86 4.10 0.00 3.26 3.27 0.00 5.70 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 8.65 4.86 0.00 2.98 2.86 0.00 0.00 0.00 0.00 0.00 0.00 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 6.97 4.34 0.00 2.85 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 7.59 4.03 0.00 1.93 1.56 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 0.00 2.20 2.39 0.00 9 G 8.42 3.83 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 0.00 0.00 0.00 10 T 7.86 3.78 4.38 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 1.21 0.00 0.00 11 E 8.54 4.42 0.00 1.93 1.88 0.00 0.00 0.00 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 2.39 0.00 12 K 8.34 4.40 0.00 1.70 1.73 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.37 7.81 13 L 8.32 4.60 0.00 1.57 1.55 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.32 4.65 0.00 1.56 1.47 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.80 4.49 0.00 1.92 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 2.29 2.16 0.00 16 V 8.25 4.39 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 0.26 0.00 0.00 0.87 0.00 0.00 17 W 8.66 4.66 0.00 3.19 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 8.49 4.94 0.00 3.05 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.33 4.68 0.00 3.89 3.83 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 20 R 8.21 4.81 0.00 1.89 1.90 0.00 3.19 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 21 Q 8.33 4.49 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 7.01 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 22 Q 8.26 3.98 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.08 7.08 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 23 P 0.00 4.28 0.00 2.08 2.09 0.00 3.77 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 *27 Q 7.95 4.22 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 28 G 7.62 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.86 4.19 0.00 3.85 3.92 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 0.00 0.00 0.00 0.00 30 G 8.81 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 0.00 0.00 0.00 0.00 31 D 7.64 4.53 0.00 2.65 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 4.07 0.00 1.81 1.83 1.06 0.57 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 33 R 7.92 4.31 0.00 2.00 2.06 0.00 3.19 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 34 T 7.71 4.05 4.33 0.00 0.00 0.00 0.00 0.00 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 35 I 7.59 3.51 1.84 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.45 -0.14 0.00 0.00 36 P 0.00 4.49 0.00 2.16 2.14 0.00 3.50 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.85 0.00 37 R 8.91 4.15 0.00 2.08 2.07 0.00 3.49 0.00 0.00 3.60 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.07 0.00 38 S 8.13 4.14 0.00 3.85 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 7.66 3.85 0.00 1.55 1.56 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 0.00 2.13 2.22 0.00 40 W 7.64 4.50 0.00 3.44 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 8.38 4.57 0.00 2.89 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 42 I 7.80 3.76 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.21 0.90 0.00 0.00 43 L 8.07 4.00 0.00 1.88 2.03 1.09 0.69 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 44 L 8.64 4.18 0.00 1.79 1.88 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.90 4.02 0.00 2.01 2.01 0.00 1.54 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.54 7.81 46 D 7.79 4.37 0.00 2.89 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 47 V 7.20 3.64 2.26 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 0.84 0.00 0.00 1.00 0.00 0.00 48 Q 8.94 3.72 0.00 2.24 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.40 0.00 0.00 0.00 0.00 0.00 2.27 2.49 0.00 49 C 7.99 4.94 0.00 2.96 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 50 S 8.73 4.77 0.00 3.80 3.75 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 51 I 8.39 4.70 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.51 1.15 0.00 0.00 52 I 8.77 4.42 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.63 0.92 0.00 0.00 53 S 7.59 4.68 0.00 3.73 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 4.54 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 0.35 0.00 0.00 0.91 0.00 0.00 55 T 8.40 4.54 4.13 0.00 0.00 0.00 0.00 0.00 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 56 K 8.69 4.88 0.00 1.56 1.65 0.00 1.66 0.00 0.00 1.84 0.00 0.00 2.87 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.21 1.29 7.81 57 T 8.17 4.67 4.22 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 0.00 0.00 1.18 0.00 0.00 58 D 8.74 4.44 0.00 2.66 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 7.93 4.41 0.00 1.78 1.85 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.42 7.81 60 Q 8.09 4.61 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.78 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 61 E 8.62 5.09 0.00 1.95 1.71 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 2.18 2.30 0.00 62 A 8.52 4.94 1.14 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 0.00 0.00 63 Y 8.40 5.06 0.00 2.59 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 64 V 8.54 4.34 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 0.87 0.00 0.00 0.92 0.00 0.00 65 L 8.13 5.80 0.00 1.55 1.63 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.03 4.63 0.00 3.74 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 8.90 4.17 0.00 2.06 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 2.38 2.43 0.00 * Residues marked with a * may have inaccurate shift predictions.