NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 S 4.5777 8.3193 116.7960 58.4231 66.1445 170.6676 13 E 3.9392 8.9971 124.9342 56.8410 27.6622 176.4561 14 S 4.1940 9.4336 107.2042 58.4161 63.7410 173.2616 15 S 3.5247 7.7718 109.1406 62.5039 60.4942 172.3814 16 K 4.6530 8.4792 112.3611 55.1747 33.5367 174.1282 17 P 3.4658 0.0000 0.0000 66.8108 29.9365 179.8835 18 C 4.5694 10.0236 115.9308 59.1457 37.3857 174.6886 19 C 4.4298 9.8852 132.4323 58.2434 42.4394 173.9045 20 D 4.7082 7.7429 119.1830 51.5178 41.1729 178.1628 21 Q 5.0953 6.4592 119.0802 55.8684 31.2361 173.2324 22 C 5.1998 8.0189 114.6438 53.2900 37.9857 172.8969 23 S 4.4196 8.6486 119.9221 58.7008 62.7692 172.3703 24 C 5.1136 8.5916 125.1591 55.9330 42.5085 172.9493 25 T 4.5333 8.0384 110.3268 59.9028 70.7621 174.8797 26 K 4.5720 8.2317 119.6138 56.0942 32.7374 176.0428 27 S 4.6625 7.7056 112.8241 56.8528 65.6715 172.8169 28 M 4.8783 8.2367 119.6755 52.8136 33.0943 174.0789 29 P 4.5382 0.0000 0.0000 61.2826 32.6351 174.2679 30 P 5.1534 0.0000 0.0000 62.0946 32.8575 175.4182 31 K 4.6451 8.8798 119.0213 55.0973 35.2761 175.2362 32 C 5.3833 9.0133 122.1994 54.9287 41.7340 173.5497 33 R 4.8239 8.4455 119.0069 54.5681 32.1205 173.9713 34 C 4.9168 8.7831 121.4165 56.1576 44.9462 171.7541 35 S 4.2884 8.8980 117.7107 55.2963 65.0491 178.6303 36 D 4.1564 9.9173 120.5306 54.1158 40.7122 175.5094 37 I 3.6937 9.4799 118.2719 62.1022 36.5233 171.2504 38 R 4.0433 7.5061 127.2008 56.9742 36.4197 175.8584 *65 N 4.4870 7.8327 116.8380 52.5262 38.6991 172.4933 66 D 4.2132 7.8996 117.5853 51.0884 41.3106 173.5137 67 F 4.9484 9.2857 117.1490 56.8175 41.0862 172.6120 68 C 3.9710 5.7800 116.5695 54.8630 38.8653 174.6418 69 Y 4.3860 8.1333 127.6547 59.6996 37.4426 174.7617 70 E 5.5807 8.5305 132.7241 55.6950 32.7182 174.9993 71 P 4.6367 0.0000 0.0000 61.3905 30.2362 177.9233 72 C 4.1350 8.9643 115.2990 55.6306 44.3029 172.0235 73 K 4.0281 8.2624 120.5127 57.1821 31.5991 174.9484 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 12 S 8.32 4.58 0.00 3.88 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 13 E 9.00 3.94 0.00 2.23 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 14 S 9.43 4.19 0.00 3.85 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 15 S 7.77 3.52 0.00 4.06 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 16 K 8.48 4.65 0.00 1.90 2.08 0.00 2.09 0.00 0.00 2.40 0.00 0.00 3.07 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.35 7.81 17 P 0.00 3.47 0.00 2.24 2.07 0.00 3.72 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.06 0.00 18 C 10.02 4.57 0.00 3.15 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 C 9.89 4.43 0.00 3.01 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.74 4.71 0.00 3.28 2.40 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 0.00 21 Q 6.46 5.10 0.00 1.94 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.92 0.00 0.00 0.00 0.00 0.00 2.18 2.09 0.00 22 C 8.02 5.20 0.00 2.92 2.94 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 23 S 8.65 4.42 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 24 C 8.59 5.11 0.00 2.88 3.02 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 0.00 0.00 0.00 25 T 8.04 4.53 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 26 K 8.23 4.57 0.00 1.73 1.81 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.38 7.81 27 S 7.71 4.66 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 28 M 8.24 4.88 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.42 0.00 29 P 0.00 4.54 0.00 2.23 2.05 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 30 P 0.00 5.15 0.00 1.97 2.26 0.00 3.89 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 31 K 8.88 4.65 0.00 1.67 1.67 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.38 7.81 32 C 9.01 5.38 0.00 3.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.45 4.82 0.00 1.80 1.99 0.00 2.76 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 34 C 8.78 4.92 0.00 3.17 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 35 S 8.90 4.29 0.00 3.90 3.71 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 0.00 0.00 0.00 36 D 9.92 4.16 0.00 2.89 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.48 3.69 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.32 0.92 0.00 0.00 38 R 7.51 4.04 0.00 1.75 1.80 0.00 3.26 0.00 0.00 3.30 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.50 0.00 *65 N 7.83 4.49 0.00 2.85 2.92 0.00 0.00 6.00 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 66 D 7.90 4.21 0.00 2.92 2.81 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 67 F 9.29 4.95 0.00 2.99 3.35 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 68 C 5.78 3.97 0.00 2.79 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 69 Y 8.13 4.39 0.00 2.86 2.80 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 70 E 8.53 5.58 0.00 2.65 2.36 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 2.21 2.17 0.00 71 P 0.00 4.64 0.00 2.20 1.34 0.00 3.92 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 72 C 8.96 4.13 0.00 2.97 3.32 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 73 K 8.26 4.03 0.00 1.68 1.59 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.28 1.44 7.81 * Residues marked with a * may have inaccurate shift predictions.