NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.1745 8.4449 121.4654 55.2305 31.0239 175.4528 2 I 3.9505 7.0874 114.8470 59.7539 40.0294 168.2076 3 V 4.4859 8.5307 125.5736 61.4134 34.9898 174.5188 4 R 4.1181 7.8492 121.2471 55.3650 29.9244 177.1348 5 T 4.3840 7.2419 117.1521 62.1562 70.4174 173.6293 6 K 4.0838 8.6727 131.3657 55.4993 32.2893 172.7997 7 Q 3.4589 8.6939 126.5325 56.7899 27.3060 173.6996 *11 K 4.1875 7.9510 115.5542 52.9115 33.2520 176.3525 12 P 5.0039 0.0000 0.0000 62.9119 32.2887 175.0270 13 M 4.9973 9.0604 118.6090 54.4476 35.7667 173.1656 14 D 4.9544 8.4796 118.3749 51.8552 42.1705 177.7332 15 S 4.1474 8.9282 114.9707 61.1977 62.3268 176.3378 16 E 3.7946 8.0663 122.6958 58.6383 29.2544 178.6367 17 E 3.8431 8.1350 117.9855 58.9616 29.6360 178.8621 18 A 3.4735 7.4317 120.5377 54.7510 18.2601 179.7999 19 V 3.1588 7.3041 116.7798 65.8305 31.4735 177.9991 20 L 3.7835 7.2763 119.9934 58.2811 41.9206 179.0565 21 Q 3.7206 7.5982 117.9661 58.7666 28.4350 178.1915 22 M 3.7923 7.7329 119.5414 58.8075 32.2386 178.1194 23 N 4.3910 8.1127 116.4331 56.0409 38.5284 177.3983 24 L 3.9459 7.7156 119.7562 57.7084 41.7752 179.0749 25 L 4.1909 7.5805 116.9345 54.7878 41.8555 177.1755 26 G 3.7523 7.7560 106.4643 46.8882 0.0000 173.2619 27 H 4.9568 8.1768 116.2622 54.1001 30.7429 175.6404 28 S 4.8173 8.4654 114.9673 60.0461 64.3354 173.5382 29 F 5.6986 7.7342 113.6538 56.1178 41.0737 173.1712 30 Y 4.7035 9.5253 121.3678 56.3403 42.1656 173.7058 31 V 4.8741 8.1763 127.0404 62.2013 33.3136 174.1775 32 Y 4.8100 8.7007 124.5026 56.8114 42.2115 172.8477 33 T 4.5967 8.4806 115.3199 61.8590 71.0145 174.3906 34 D 4.7721 8.9956 125.9715 54.0469 42.1161 175.8202 35 A 4.2035 8.7704 126.6883 54.9561 19.0670 179.9515 36 E 4.0835 8.0202 115.2748 58.7455 30.4861 178.6958 37 T 3.9765 8.2487 109.1358 62.2362 69.3137 175.0898 38 N 4.7613 7.1181 114.1243 54.0908 38.1537 173.5338 39 G 4.1056 7.6653 103.6798 44.5775 0.0000 173.7317 40 T 4.5710 8.2502 117.8497 63.4056 69.5274 173.7430 41 N 5.0457 8.6653 123.9166 51.3489 42.9375 173.8964 42 I 5.2874 8.8387 120.3438 60.2155 41.0330 175.0612 43 V 5.1831 8.9385 120.8644 60.3771 34.0399 174.7656 44 Y 5.4394 8.4210 120.4465 56.2622 41.7493 173.6402 45 S 4.8115 9.0772 117.1523 58.3525 63.8775 174.5066 46 R 4.6355 8.4928 123.4116 54.5850 31.8181 177.0266 47 K 4.1128 8.6580 119.6895 59.7799 32.1764 178.9427 48 D 4.5907 7.9765 114.3697 53.7878 39.0999 176.8130 49 G 3.8424 7.8875 109.4815 45.4281 0.0000 174.3472 50 K 4.0937 7.3357 118.5898 56.3026 33.6206 175.6501 51 Y 5.0115 8.1920 118.6775 56.7000 40.2968 175.4334 52 G 3.9324 8.3426 107.7274 44.3757 0.0000 171.2803 53 L 5.6313 8.4360 121.2623 53.3664 45.3384 175.3075 54 I 4.7168 9.3484 126.5656 59.6897 40.0886 174.4664 55 E 5.6315 8.5877 124.1385 55.0117 32.3323 176.2993 56 T 3.6571 8.0649 117.6877 64.2959 69.1298 172.1120 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 1 E 8.44 4.17 0.00 1.91 1.98 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 2.18 2.27 0.00 2 I 7.09 3.95 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 1.30 0.53 0.93 0.00 0.00 3 V 8.53 4.49 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.98 0.00 0.00 4 R 7.85 4.12 0.00 1.87 1.67 0.00 3.42 0.00 0.00 3.15 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.18 0.00 5 T 7.24 4.38 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 6 K 8.67 4.08 0.00 1.82 1.59 0.00 1.99 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.36 0.99 7.81 7 Q 8.69 3.46 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.50 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 *11 K 7.95 4.19 0.00 1.84 1.62 0.00 1.86 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 12 P 0.00 5.00 0.00 2.12 2.12 0.00 3.75 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 13 M 9.06 5.00 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.64 0.00 14 D 8.48 4.95 0.00 2.88 2.88 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 15 S 8.93 4.15 0.00 4.07 4.29 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 0.00 0.00 0.00 0.00 16 E 8.07 3.79 0.00 2.02 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 0.00 2.22 2.27 0.00 17 E 8.13 3.84 0.00 2.09 1.85 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 2.33 2.29 0.00 18 A 7.43 3.47 0.49 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 0.00 0.00 19 V 7.30 3.16 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 0.21 0.00 0.00 0.37 0.00 0.00 20 L 7.28 3.78 0.00 1.62 1.67 0.84 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 7.60 3.72 0.00 1.16 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 22 M 7.73 3.79 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.78 0.00 23 N 8.11 4.39 0.00 2.71 2.82 0.00 0.00 7.07 6.36 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 24 L 7.72 3.95 0.00 1.65 1.67 0.84 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.58 4.19 0.00 1.34 1.40 1.06 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.76 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 0.00 0.00 0.00 27 H 8.18 4.96 0.00 3.10 3.13 0.00 5.65 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.47 4.82 0.00 4.12 4.26 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 0.00 0.00 0.00 0.00 29 F 7.73 5.70 0.00 3.17 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 30 Y 9.53 4.70 0.00 3.00 2.82 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 31 V 8.18 4.87 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 0.85 0.00 0.00 1.10 0.00 0.00 32 Y 8.70 4.81 0.00 3.23 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 8.48 4.60 4.29 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 0.00 0.00 0.00 1.18 0.00 0.00 34 D 9.00 4.77 0.00 2.67 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 35 A 8.77 4.20 1.31 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 0.00 0.00 0.00 36 E 8.02 4.08 0.00 2.10 2.11 0.00 0.00 0.00 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 2.26 0.00 37 T 8.25 3.98 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 1.28 0.00 0.00 38 N 7.12 4.76 0.00 2.94 2.97 0.00 0.00 7.04 7.86 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 39 G 7.67 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.25 4.57 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 1.18 0.00 0.00 41 N 8.67 5.05 0.00 1.55 2.53 0.00 0.00 6.31 7.19 0.00 0.00 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 8.84 5.29 1.98 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 1.28 0.61 1.14 0.00 0.00 43 V 8.94 5.18 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 0.92 0.00 0.00 1.01 0.00 0.00 44 Y 8.42 5.44 0.00 3.44 3.24 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 0.00 45 S 9.08 4.81 0.00 3.93 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 46 R 8.49 4.64 0.00 1.82 1.94 0.00 3.11 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.38 0.00 47 K 8.66 4.11 0.00 1.84 1.87 0.00 1.68 0.00 0.00 1.89 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.47 7.81 48 D 7.98 4.59 0.00 2.76 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 49 G 7.89 3.84 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 0.00 0.00 0.00 50 K 7.34 4.09 0.00 1.74 1.66 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.35 7.81 51 Y 8.19 5.01 0.00 2.81 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.34 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 0.00 0.00 0.00 53 L 8.44 5.63 0.00 1.68 1.56 1.05 1.05 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 54 I 9.35 4.72 1.94 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.92 0.92 0.00 0.00 55 E 8.59 5.63 0.00 1.83 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 2.23 2.18 0.00 56 T 8.06 3.66 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 1.19 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.