NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.3451 8.2644 123.5892 51.7133 19.9612 176.2842 5 H 4.2084 8.6353 119.7170 55.7158 30.4231 173.6552 6 F 4.8262 8.2434 126.4989 56.8440 43.2056 172.6473 7 F 4.1194 6.9979 127.6634 56.0589 41.9775 173.8203 8 E 3.9257 7.3730 129.0281 54.6919 28.5883 175.8689 9 G 3.8165 8.3781 116.5399 48.2693 0.0000 173.1973 10 T 3.8364 7.8544 116.3429 64.0827 68.7766 173.4200 11 E 4.6002 8.5512 125.1004 54.7578 31.7708 175.0927 12 K 4.5494 8.3018 119.5343 54.5678 33.9234 175.8761 13 L 4.6901 8.4197 124.6612 52.8838 44.4862 174.9853 14 L 4.6990 8.5268 127.0147 53.0199 44.3378 174.8219 15 E 4.5906 8.7739 125.8239 54.2396 32.1326 174.6367 16 V 4.3603 8.2316 124.8363 60.6589 34.4202 174.1562 17 W 4.5637 8.7025 126.2284 54.9577 30.8788 175.4776 18 F 4.9300 8.7334 121.9506 56.3366 40.5979 174.6856 19 S 4.6807 8.3828 115.3218 57.6071 65.4488 173.3490 20 R 4.5802 8.2598 121.0872 54.3329 31.2682 175.7817 21 Q 3.8895 8.8347 126.6700 56.9913 29.3857 172.5525 22 Q 3.3061 7.9456 122.6255 55.4709 27.3681 172.5057 *27 Q 4.1572 8.7054 123.8234 54.4820 30.7047 175.8057 28 G 4.0040 8.1077 101.3311 44.6612 0.0000 173.2582 29 S 4.1099 8.2888 112.9990 59.2290 63.3001 175.5795 30 G 3.8860 9.0481 107.1629 45.4897 0.0000 172.3718 31 D 4.6218 8.0665 119.2249 52.3475 44.2610 176.3317 32 L 4.0962 8.7043 126.7400 57.6977 41.8654 179.0895 33 R 4.3447 8.4408 116.5972 58.2422 30.0660 177.8859 34 T 4.0462 7.8021 114.7199 65.7876 68.6965 175.2470 35 I 3.5199 7.4345 122.9565 60.5018 37.4841 174.4173 36 P 4.4399 0.0000 0.0000 62.0786 32.1568 177.3148 37 R 4.1925 8.8024 120.7997 59.8579 30.0493 178.8922 38 S 4.1216 8.1386 113.4748 61.7248 62.6485 176.3742 39 E 3.8635 7.9269 121.4676 58.8450 29.0788 179.2463 40 W 4.5147 7.7755 118.5398 59.9121 28.9034 178.0933 41 D 4.4137 8.2731 118.1857 57.4056 40.4963 178.6892 42 I 3.8656 7.7046 119.9666 64.2358 37.0854 178.1549 43 L 3.9831 8.2261 121.4975 58.3348 42.0860 179.0397 44 L 4.2282 8.3788 118.4729 57.0407 41.3588 179.5148 45 K 4.0203 7.7875 118.9046 59.6144 31.7598 178.9124 46 D 4.4408 7.6265 116.6083 56.9108 40.8065 178.4677 47 V 3.7364 7.6155 117.2015 63.3936 31.9697 175.2485 48 Q 3.6984 8.5784 115.9881 56.6030 25.7871 172.1390 49 C 5.0794 7.8539 110.3754 57.5817 33.5252 172.7422 50 S 4.7201 8.8834 112.5395 57.0161 66.5055 173.3385 51 I 4.5599 8.3421 121.9951 61.3517 37.0525 176.0009 52 I 4.6418 8.6592 119.3248 60.8831 39.5295 175.6441 53 S 4.7097 7.6983 115.8495 57.3534 65.9141 173.7249 54 V 4.5816 8.2361 120.9784 61.4809 34.7523 174.6283 55 T 4.5947 8.7302 123.1952 61.7488 72.2505 172.9124 56 K 4.9256 8.7227 125.3679 54.7420 35.3155 175.3514 57 T 4.7266 8.5253 112.6836 59.4815 72.0724 174.6402 58 D 4.3038 8.7070 120.6879 56.8741 40.8823 178.0207 59 K 4.3476 7.3121 114.9916 57.4905 33.2013 176.2937 60 Q 4.6007 7.8567 114.6500 54.9633 31.4910 172.5281 61 E 5.0536 8.6195 117.7524 54.4620 32.1622 175.2857 62 A 4.8315 8.9792 125.9957 50.2373 22.0027 174.6144 63 Y 5.0680 8.6193 118.5797 56.1215 41.3909 175.1014 64 V 4.2860 8.7181 123.8231 61.5870 33.3190 174.8875 65 L 5.2833 8.4973 126.9249 53.3445 44.5853 175.5403 66 S 4.6451 8.8787 114.5355 56.6379 66.3441 173.7164 67 E 4.2166 8.8094 125.2131 56.4594 29.4860 175.8513 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 4.35 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.64 4.21 0.00 3.24 3.29 0.00 5.74 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 F 8.24 4.83 0.00 2.95 2.85 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 7 F 7.00 4.12 0.00 2.76 2.61 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 0.00 0.00 0.00 0.00 8 E 7.37 3.93 0.00 1.88 1.52 0.00 0.00 0.00 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 2.27 0.00 9 G 8.38 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 0.00 0.00 0.00 0.00 10 T 7.85 3.84 4.36 0.00 0.00 0.00 0.00 0.00 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 8.55 4.60 0.00 1.95 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 2.25 2.52 0.00 12 K 8.30 4.55 0.00 1.72 1.71 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.38 7.81 13 L 8.42 4.69 0.00 1.53 1.51 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.53 4.70 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 1.28 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.77 4.59 0.00 1.94 1.84 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 2.31 2.20 0.00 16 V 8.23 4.36 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 -0.02 0.00 0.00 0.87 0.00 0.00 17 W 8.70 4.56 0.00 3.18 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 18 F 8.73 4.93 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 8.38 4.68 0.00 4.00 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 20 R 8.26 4.58 0.00 1.79 1.88 0.00 3.31 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.75 0.00 21 Q 8.83 3.89 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 5.94 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 22 Q 7.95 3.31 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.42 0.00 0.00 0.00 0.00 0.00 2.28 2.56 0.00 *27 Q 8.71 4.16 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.46 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 28 G 8.11 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 8.29 4.11 0.00 3.98 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 9.05 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.07 4.62 0.00 2.66 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 8.70 4.10 0.00 1.82 1.86 1.04 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.44 4.34 0.00 1.96 2.19 0.00 3.30 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 34 T 7.80 4.05 4.31 0.00 0.00 0.00 0.00 0.00 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 7.43 3.52 1.66 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.34 -0.39 0.00 0.00 36 P 0.00 4.44 0.00 2.08 1.92 0.00 3.35 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 37 R 8.80 4.19 0.00 2.09 2.02 0.00 3.45 0.00 0.00 3.63 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.98 0.00 38 S 8.14 4.12 0.00 4.07 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 7.93 3.86 0.00 1.68 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 2.15 2.24 0.00 40 W 7.78 4.51 0.00 3.41 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.27 4.41 0.00 2.87 2.77 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 42 I 7.70 3.87 1.99 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 1.43 0.90 0.00 0.00 43 L 8.23 3.98 0.00 1.82 2.07 1.13 0.87 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 8.38 4.23 0.00 1.75 1.89 0.87 0.94 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 45 K 7.79 4.02 0.00 1.97 1.87 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.80 7.81 46 D 7.63 4.44 0.00 2.71 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 47 V 7.62 3.74 2.23 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 0.88 0.00 0.00 0.95 0.00 0.00 48 Q 8.58 3.70 0.00 2.25 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.43 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 49 C 7.85 5.08 0.00 3.13 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.88 4.72 0.00 3.90 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 8.34 4.56 1.96 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.52 1.16 0.00 0.00 52 I 8.66 4.64 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 1.42 0.70 0.92 0.00 0.00 53 S 7.70 4.71 0.00 3.85 3.94 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 54 V 8.24 4.58 1.93 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 0.24 0.00 0.00 0.95 0.00 0.00 55 T 8.73 4.59 4.14 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 1.15 0.00 0.00 56 K 8.72 4.93 0.00 1.55 1.64 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.19 1.26 7.81 57 T 8.53 4.73 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 8.71 4.30 0.00 2.69 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 59 K 7.31 4.35 0.00 1.81 1.86 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.37 7.81 60 Q 7.86 4.60 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 61 E 8.62 5.05 0.00 1.89 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.27 0.00 62 A 8.98 4.83 1.12 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 0.00 0.00 63 Y 8.62 5.07 0.00 2.63 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 64 V 8.72 4.29 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 1.04 0.00 0.00 0.92 0.00 0.00 65 L 8.50 5.28 0.00 1.56 1.56 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.88 4.65 0.00 3.83 3.63 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 67 E 8.81 4.22 0.00 2.09 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 2.34 2.50 0.00 * Residues marked with a * may have inaccurate shift predictions.