NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 S 4.5350 8.3349 115.2875 58.6750 65.3118 175.6521 10 H 4.8614 7.6049 118.6865 52.5439 27.8793 174.7497 11 P 4.8181 0.0000 0.0000 63.8079 33.7399 171.2565 12 R 4.4007 7.3067 116.8387 55.5567 32.8152 174.5473 13 R 4.5608 8.4638 122.8930 56.5713 32.0506 172.9163 14 Y 4.3534 8.8207 117.5849 60.6301 37.2385 169.0377 15 G 3.2151 8.9241 121.5833 44.5453 0.0000 172.0067 16 K 3.9903 7.8092 120.4833 55.8134 32.8263 174.1925 17 G 3.8001 8.4440 104.0760 44.3594 0.0000 172.7818 18 S 4.5143 8.3972 114.2242 57.6333 64.9729 172.5656 19 R 4.7400 7.9355 118.0361 55.2046 33.7174 173.9773 20 Q 4.5577 7.9737 114.2757 55.4514 30.5349 173.5356 21 C 4.4554 8.5287 117.2018 59.9913 28.9214 174.4935 22 R 4.1350 8.4992 119.6982 59.2855 30.1096 178.6814 23 V 3.7650 8.0703 116.2511 65.3293 31.7019 175.5812 24 C 4.8318 7.8342 115.5782 57.9105 30.3090 174.6702 25 S 4.6084 8.3607 119.8414 56.6170 61.4919 172.9386 26 S 4.6852 7.6730 120.9476 57.3262 66.2717 174.5996 27 H 4.2293 9.0566 122.8893 59.3543 29.8524 175.9618 28 T 4.2999 7.7393 107.7526 60.4946 69.7162 173.8050 29 G 3.9764 7.4041 112.0773 45.9333 0.0000 171.6924 30 L 4.8049 7.9994 118.9910 52.6024 43.8842 177.4173 31 I 3.8609 8.4208 117.0717 64.0329 37.9772 176.2892 32 R 3.7402 7.5203 123.8059 59.1671 29.3353 174.6403 33 K 3.8748 8.7998 125.6027 58.3564 28.3678 177.2041 34 Y 4.7381 7.1986 115.2772 58.9451 37.0497 169.5625 35 G 4.3863 8.2554 107.6120 42.9236 0.0000 172.7674 36 L 4.3542 8.2081 119.4147 56.0048 41.1133 176.6271 37 N 5.0285 8.0729 119.1645 51.1293 37.4351 172.7746 38 I 4.3591 7.1128 121.3750 61.0041 45.5004 176.4929 39 C 3.5922 8.0746 120.2268 62.5621 31.1017 175.6512 40 R 3.9679 7.9229 119.3685 59.5519 29.4174 179.0884 41 Q 4.0275 7.7532 116.2113 59.0363 28.9275 178.0938 42 C 4.3092 8.0835 117.7880 62.9628 28.0770 176.2441 43 F 4.5630 8.4681 119.7571 60.5285 38.2141 177.6987 44 R 3.9899 7.9580 117.8722 59.4362 29.8896 177.5426 45 E 4.0915 7.8685 117.7769 58.7858 29.7035 177.5893 46 K 4.4005 7.7647 116.2486 54.7789 33.8160 176.3111 47 A 5.3489 8.9725 135.0000 54.4095 19.8110 176.4108 *48 N 4.2142 7.4327 120.5326 54.2319 37.3887 176.7382 *49 D 4.6976 7.7748 120.3163 52.6028 41.4244 179.2571 *50 I 3.5841 8.1527 118.8987 61.7100 35.6905 177.0683 51 G 3.7361 8.6146 113.0734 44.8320 0.0000 173.1628 *52 F 3.3607 8.6755 113.9196 58.7003 35.0938 172.4857 *53 N 4.7553 8.3073 121.9700 51.2622 41.4142 172.4238 *54 K 4.5806 8.2136 125.4990 54.5256 33.5705 175.8115 *55 F 4.1951 9.6276 115.7710 58.7875 35.5955 171.4796 *56 R 4.3407 7.9980 122.5141 56.1373 29.0187 177.4303 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 S 8.33 4.53 0.00 3.83 3.93 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 10 H 7.60 4.86 0.00 3.28 2.33 0.00 5.74 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 11 P 0.00 4.82 0.00 2.07 1.99 0.00 3.74 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.91 0.00 12 R 7.31 4.40 0.00 1.72 1.78 0.00 3.55 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 13 R 8.46 4.56 0.00 1.60 1.59 0.00 3.13 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.28 0.00 14 Y 8.82 4.35 0.00 3.07 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 15 G 8.92 3.22 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 0.00 0.00 0.00 0.00 16 K 7.81 3.99 0.00 1.82 1.86 0.00 1.85 0.00 0.00 1.78 0.00 0.00 3.10 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.50 1.56 7.81 17 G 8.44 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.40 4.51 0.00 4.01 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 19 R 7.94 4.74 0.00 1.84 1.82 0.00 3.25 0.00 0.00 2.93 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 20 Q 7.97 4.56 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.02 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 21 C 8.53 4.46 0.00 3.02 3.12 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 22 R 8.50 4.13 0.00 1.81 2.00 0.00 3.27 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 23 V 8.07 3.77 2.16 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 0.84 0.00 0.00 1.09 0.00 0.00 24 C 7.83 4.83 0.00 2.91 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 25 S 8.36 4.61 0.00 3.97 3.90 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 26 S 7.67 4.69 0.00 3.94 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 27 H 9.06 4.23 0.00 3.14 3.36 0.00 5.72 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 T 7.74 4.30 4.27 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 1.28 0.00 0.00 29 G 7.40 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 0.00 0.00 0.00 30 L 8.00 4.80 0.00 1.65 1.56 0.92 0.83 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 31 I 8.42 3.86 2.06 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.72 1.01 0.00 0.00 32 R 7.52 3.74 0.00 1.74 1.83 0.00 3.16 0.00 0.00 3.18 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 33 K 8.80 3.87 0.00 1.81 2.14 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.19 1.23 7.81 34 Y 7.20 4.74 0.00 3.07 3.23 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 0.00 35 G 8.26 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.21 4.35 0.00 2.10 1.81 0.87 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 37 N 8.07 5.03 0.00 2.69 2.77 0.00 0.00 6.83 7.94 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 38 I 7.11 4.36 1.82 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 1.27 0.31 0.87 0.00 0.00 39 C 8.07 3.59 0.00 2.75 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 40 R 7.92 3.97 0.00 1.83 1.98 0.00 3.48 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.83 0.00 41 Q 7.75 4.03 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.06 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 42 C 8.08 4.31 0.00 2.92 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 43 F 8.47 4.56 0.00 3.18 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 44 R 7.96 3.99 0.00 2.12 2.12 0.00 3.28 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 45 E 7.87 4.09 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 46 K 7.76 4.40 0.00 1.78 1.72 0.00 1.97 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.62 7.81 47 A 8.97 5.35 1.38 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 0.00 0.00 *48 N 7.43 4.21 0.00 2.90 2.64 0.00 0.00 6.86 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 *49 D 7.77 4.70 0.00 2.69 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.15 3.58 1.87 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 1.35 1.09 0.91 0.00 0.00 51 G 8.61 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 *52 F 8.68 3.36 0.00 2.39 2.13 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 *53 N 8.31 4.76 0.00 2.68 2.54 0.00 0.00 6.75 7.44 0.00 0.00 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 K 8.21 4.58 0.00 1.76 1.62 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 0.99 7.81 *55 F 9.63 4.20 0.00 2.35 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 *56 R 8.00 4.34 0.00 1.89 2.14 0.00 3.26 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.13 0.00 * Residues marked with a * may have inaccurate shift predictions.