NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.7408 8.2833 119.2091 53.2808 39.2060 174.7258 4 Q 3.8728 8.4657 126.4357 57.8148 28.8529 176.8031 5 H 4.1895 9.0729 120.5281 59.2625 30.5298 176.8143 6 L 3.9469 8.2406 120.7930 57.8443 41.4766 178.9131 7 C 4.2826 8.4139 118.9633 62.6330 31.4963 175.7922 8 G 3.7643 8.4135 107.5379 47.9984 0.0000 175.5770 9 S 4.0032 7.8360 116.9182 61.8686 62.8726 176.6814 10 H 4.2237 7.7332 117.2597 58.5768 28.4003 177.8841 11 L 3.9601 7.9615 120.8150 58.0221 41.4498 179.9783 12 V 3.5081 7.5205 112.1762 64.4652 31.5374 178.5889 13 E 3.9896 7.8761 116.8449 59.1503 29.2744 179.2780 14 A 3.9979 8.1246 120.9751 55.0997 18.3938 179.6605 15 L 3.6260 8.1438 117.9303 57.7708 41.6253 178.9390 16 Y 4.2509 8.0591 119.7490 60.9802 38.5085 178.4854 17 L 3.7840 7.6553 118.0218 57.5950 41.7928 179.3818 18 V 3.6892 7.5608 117.3360 66.1291 31.9416 177.5939 19 C 4.2962 8.5727 116.9044 61.0590 28.5942 174.8323 20 G 3.6062 8.2775 110.0670 46.1769 0.0000 175.9884 21 E 4.0549 8.8605 120.3100 59.1802 29.6383 178.5211 22 R 3.8826 7.7782 117.2201 57.0863 30.2013 177.9022 23 G 4.0208 9.0377 106.2439 45.1946 0.0000 171.8322 24 F 5.0303 7.7819 111.3307 56.2390 40.0311 173.0681 25 F 4.6512 9.1266 119.8996 55.7118 41.1534 174.5608 26 Y 4.8170 8.6330 125.2450 55.8814 40.6495 174.8639 27 T 4.3385 7.5507 116.2581 59.1713 70.6055 172.5398 28 P 4.1258 0.0000 0.0000 65.1897 32.4865 177.9635 29 K 4.4321 7.1475 121.5283 55.2217 32.5457 181.4998 *30 T 4.2236 8.5825 110.6536 62.7044 69.0835 171.8828 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 3 N 8.28 4.74 0.00 2.76 2.84 0.00 0.00 7.09 6.60 0.00 0.00 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 Q 8.47 3.87 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 5 H 9.07 4.19 0.00 3.21 3.51 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.24 3.95 0.00 1.77 1.73 0.94 0.67 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 7 C 8.41 4.28 0.00 3.07 3.11 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 8 G 8.41 3.76 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 0.00 0.00 0.00 9 S 7.84 4.00 0.00 3.86 3.78 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 10 H 7.73 4.22 0.00 3.39 3.33 0.00 5.62 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 11 L 7.96 3.96 0.00 1.86 1.74 1.04 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.52 3.51 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 0.10 0.00 0.00 0.87 0.00 0.00 13 E 7.88 3.99 0.00 2.19 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 2.26 2.36 0.00 14 A 8.12 4.00 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 15 L 8.14 3.63 0.00 0.88 0.13 0.78 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 8.06 4.25 0.00 3.27 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.66 3.78 0.00 1.81 1.69 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.56 3.69 2.03 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 0.79 0.00 0.00 0.92 0.00 0.00 19 C 8.57 4.30 0.00 3.15 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 G 8.28 3.61 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 0.00 0.00 0.00 21 E 8.86 4.05 0.00 1.95 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 0.00 2.32 2.41 0.00 22 R 7.78 3.88 0.00 2.07 2.06 0.00 3.25 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 23 G 9.04 4.02 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 0.00 0.00 0.00 24 F 7.78 5.03 0.00 3.28 3.03 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 25 F 9.13 4.65 0.00 2.98 3.08 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 0.00 0.00 0.00 26 Y 8.63 4.82 0.00 3.22 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.55 4.34 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 28 P 0.00 4.13 0.00 2.07 2.26 0.00 3.57 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.32 0.00 29 K 7.15 4.43 0.00 1.73 1.18 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.27 1.20 7.81 *30 T 8.58 4.22 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 * Residues marked with a * may have inaccurate shift predictions.