NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5527 8.3193 116.7989 59.0258 64.2995 171.9742 3 S 4.5249 7.9375 113.4130 57.1583 65.9819 172.4398 4 N 5.0057 9.4460 120.0046 53.3357 40.9355 174.7006 5 Y 4.9962 9.0558 117.2569 56.3440 42.6198 174.5509 6 V 4.7621 8.9352 122.8257 61.1645 33.8100 174.6554 7 L 4.8974 8.7441 127.8529 53.3810 44.5133 175.0472 8 H 5.2765 9.1165 120.8082 54.2987 30.9421 174.4735 9 T 5.3590 8.4957 114.5006 60.3167 70.1358 174.6857 10 N 4.7145 8.8314 117.8575 53.6121 39.2259 175.6180 11 D 4.7924 7.8103 119.0527 53.6583 40.5591 176.7883 12 G 4.0262 8.2219 103.8252 47.2896 0.0000 173.3475 13 R 4.8183 7.2192 117.2528 55.0034 34.6333 174.2927 14 T 4.9476 8.4689 114.6065 59.8533 71.1372 172.6611 15 I 4.4610 8.4530 126.6714 58.9079 40.7273 174.2461 16 V 4.4392 8.3511 128.8188 62.1984 32.9925 174.2131 17 A 5.0902 9.3530 129.4357 50.3232 22.1946 175.1702 18 E 5.0655 9.0626 122.4912 57.5638 29.4030 176.8475 19 G 4.0524 8.6239 110.9714 44.3820 0.0000 171.7709 20 K 2.5553 8.1736 121.0637 54.9678 32.3663 175.0352 21 P 4.6773 0.0000 0.0000 62.7648 32.0156 175.9470 22 K 4.6859 8.9550 121.6607 54.3061 37.0990 175.8566 23 V 3.8433 8.3685 122.8494 63.1545 32.4254 175.6164 24 D 4.6285 8.7121 127.2942 53.1998 41.6170 176.5453 25 D 4.6350 8.6594 127.8298 56.6976 40.9503 177.8516 26 E 4.2299 8.5039 118.9057 57.9829 29.7207 177.2200 27 T 4.3338 8.0348 107.0321 60.6753 70.9003 174.1242 28 G 3.5404 8.3514 109.5255 46.0537 0.0000 173.6979 *30 I 3.9459 7.4957 118.6219 60.9847 39.1583 175.5045 31 S 5.3091 9.3015 123.2579 57.1846 64.5431 172.3875 32 Y 5.1307 8.7385 123.5914 56.7367 42.0482 172.9846 33 T 4.9366 8.4490 116.2415 61.7411 71.3047 175.0107 34 D 5.0917 8.9495 125.9888 51.7427 41.1931 176.7573 35 A 3.9353 8.4456 121.0156 55.7758 18.2470 178.3027 36 Y 4.3888 7.8299 110.3849 58.6351 37.9929 176.3994 37 G 3.9081 8.2387 108.1432 45.9698 0.0000 173.1711 38 Q 4.4778 8.7203 121.1173 54.0131 30.3586 174.7963 39 Q 4.4870 8.4592 123.9222 56.2210 29.3188 175.5603 40 Q 4.5482 9.0009 122.2663 54.1635 33.3142 174.2889 41 Q 5.1306 8.3997 118.9198 54.4383 32.8807 174.3492 42 I 4.7279 8.8409 122.5864 58.8364 41.5725 174.4900 43 N 4.3570 8.8850 127.0269 53.6700 39.5884 175.5613 44 R 3.9281 8.7789 125.3952 59.5925 30.3154 177.7944 45 D 4.4771 8.6444 116.5977 56.1254 41.0060 176.2478 46 N 4.7027 8.4757 117.5599 53.1290 39.4044 173.7666 47 V 4.4195 7.5176 117.8445 61.9408 32.5305 175.1286 48 K 4.1943 9.2157 129.6078 58.7953 32.8008 175.7139 49 E 4.3396 7.4754 115.8067 55.4063 32.8568 172.9952 *51 A 4.3616 8.3676 119.9992 52.5455 20.4309 176.2220 52 K 3.6898 8.6121 123.2066 55.2119 33.0420 176.7838 53 G 3.7372 8.5159 114.8106 46.3179 0.0000 173.1666 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 2 S 8.32 4.55 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 3 S 7.94 4.52 0.00 3.79 3.86 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 4 N 9.45 5.01 0.00 2.63 2.78 0.00 0.00 6.71 7.48 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 5 Y 9.06 5.00 0.00 2.77 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 6 V 8.94 4.76 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 0.66 0.00 0.00 0.91 0.00 0.00 7 L 8.74 4.90 0.00 1.47 1.41 0.59 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 8 H 9.12 5.28 0.00 3.07 3.21 0.00 5.80 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.50 5.36 4.40 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 1.25 0.00 0.00 10 N 8.83 4.71 0.00 2.62 2.91 0.00 0.00 6.79 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 7.81 4.79 0.00 2.72 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 12 G 8.22 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 7.22 4.82 0.00 1.85 1.83 0.00 3.15 0.00 0.00 3.41 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 14 T 8.47 4.95 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 15 I 8.45 4.46 1.89 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 1.33 1.63 0.78 0.00 0.00 16 V 8.35 4.44 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.89 0.00 0.00 17 A 9.35 5.09 1.35 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 0.00 0.00 18 E 9.06 5.07 0.00 1.88 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 0.00 2.49 2.23 0.00 19 G 8.62 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.17 2.56 0.00 1.29 1.53 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.78 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.09 0.83 7.81 21 P 0.00 4.68 0.00 1.84 1.92 0.00 3.17 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.01 0.00 22 K 8.95 4.69 0.00 1.62 1.60 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.72 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.53 7.81 23 V 8.37 3.84 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.93 0.00 0.00 24 D 8.71 4.63 0.00 2.75 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.66 4.64 0.00 2.68 2.72 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 0.00 0.00 0.00 26 E 8.50 4.23 0.00 2.10 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 0.00 2.32 2.30 0.00 27 T 8.03 4.33 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 28 G 8.35 3.54 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 0.00 *30 I 7.50 3.95 2.03 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 1.23 0.70 0.93 0.00 0.00 31 S 9.30 5.31 0.00 3.87 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 32 Y 8.74 5.13 0.00 3.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.45 4.94 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 34 D 8.95 5.09 0.00 2.99 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.45 3.94 1.09 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 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 7.83 4.39 0.00 3.18 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 37 G 8.24 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 0.00 0.00 0.00 38 Q 8.72 4.48 0.00 2.08 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.94 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 39 Q 8.46 4.49 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.55 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 40 Q 9.00 4.55 0.00 0.93 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.77 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 41 Q 8.40 5.13 0.00 1.86 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.71 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 42 I 8.84 4.73 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.93 1.05 0.00 0.00 43 N 8.89 4.36 0.00 2.78 2.70 0.00 0.00 6.81 7.65 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 44 R 8.78 3.93 0.00 1.89 1.92 0.00 3.23 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 45 D 8.64 4.48 0.00 2.78 2.72 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 0.00 0.00 0.00 46 N 8.48 4.70 0.00 2.73 2.90 0.00 0.00 6.56 7.29 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 47 V 7.52 4.42 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 0.78 0.00 0.00 0.96 0.00 0.00 48 K 9.22 4.19 0.00 1.71 2.00 0.00 1.86 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.40 7.81 49 E 7.48 4.34 0.00 1.97 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 2.28 2.28 0.00 *51 A 8.37 4.36 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 52 K 8.61 3.69 0.00 1.46 1.53 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.02 0.39 7.81 53 G 8.52 3.74 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.