NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.2669 8.3344 116.8167 58.5083 64.0537 172.6240 7 S 4.1679 8.3956 118.1776 58.4421 61.2120 172.6490 8 Y 4.0163 8.4060 127.5754 57.9782 39.0942 176.1932 9 S 4.3735 7.3135 116.9571 56.9663 61.7655 172.6048 10 Y 4.9767 7.7225 124.0640 56.3614 40.0428 176.3817 11 D 4.6756 8.4832 122.4758 51.9779 39.7795 175.1283 12 A 4.3124 7.1926 121.5082 49.9094 22.3640 174.8351 13 P 4.3274 0.0000 0.0000 63.0630 31.6469 176.7843 14 S 4.6799 8.4399 115.4974 57.9106 64.1949 173.1768 15 D 4.6955 7.9750 120.3623 53.2933 41.6371 176.1451 16 F 4.0854 8.8316 125.3370 58.7128 39.8648 174.1842 17 I 3.9906 6.8182 127.2383 59.1301 39.2245 175.3723 18 N 4.4258 8.0930 123.5169 52.5520 37.6509 175.2195 19 F 4.3087 8.2573 125.1384 59.8636 39.3735 176.2335 20 S 4.6030 8.1180 116.6988 58.8824 63.1750 174.0920 21 S 4.5259 7.6874 116.1876 58.0315 66.2264 176.8223 *26 G 3.8374 8.5545 107.8010 46.9624 0.0000 173.4201 27 D 4.7876 8.1316 120.7749 52.4609 40.8456 181.6335 28 T 4.6391 7.8282 119.4098 58.0924 68.5928 172.5582 29 Q 3.9726 8.1526 127.7666 58.8407 30.1341 177.0106 30 N 4.4857 8.4046 115.0771 56.5044 39.1717 176.7601 31 I 3.7415 7.5637 119.1489 64.6600 37.2833 177.4896 32 D 4.9360 8.1750 117.3716 54.7836 39.4017 177.7891 33 S 4.3204 8.8533 117.2199 61.0493 62.8200 175.8940 34 W 4.2797 8.1469 132.0664 60.4652 30.1214 177.8696 35 F 3.8786 8.3514 118.0202 60.4946 38.4304 177.5486 36 E 3.9962 8.2843 116.7167 59.3598 29.5585 178.7780 37 E 3.8353 8.1031 119.6131 59.2751 29.3104 179.4743 38 K 3.7213 7.3910 117.0796 59.0674 31.9796 179.0459 39 A 4.0810 7.8879 120.9223 55.0363 18.4521 179.0004 40 N 4.4784 8.5277 113.6747 53.7187 38.8969 175.7950 41 L 3.8928 7.0268 120.6162 55.4271 42.2531 177.1345 42 E 4.2282 8.6831 121.5899 56.4864 29.6449 175.8453 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 6 S 8.33 4.27 0.00 3.40 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.40 4.17 0.00 3.88 3.77 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 8 Y 8.41 4.02 0.00 2.94 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 9 S 7.31 4.37 0.00 3.74 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 Y 7.72 4.98 0.00 2.97 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.48 4.68 0.00 2.79 2.83 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 0.00 0.00 0.00 12 A 7.19 4.31 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.33 0.00 2.01 1.96 0.00 3.51 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 14 S 8.44 4.68 0.00 3.91 3.86 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 0.00 0.00 0.00 0.00 15 D 7.97 4.70 0.00 2.65 2.65 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 0.00 0.00 0.00 16 F 8.83 4.09 0.00 2.94 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 17 I 6.82 3.99 0.63 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.61 0.30 0.00 0.00 18 N 8.09 4.43 0.00 2.81 2.67 0.00 0.00 7.24 7.71 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 19 F 8.26 4.31 0.00 3.04 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 20 S 8.12 4.60 0.00 4.02 4.01 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 21 S 7.69 4.53 0.00 3.55 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 *26 G 8.55 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 27 D 8.13 4.79 0.00 2.67 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 28 T 7.83 4.64 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 29 Q 8.15 3.97 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.00 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 30 N 8.40 4.49 0.00 2.82 2.90 0.00 0.00 7.09 7.32 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 31 I 7.56 3.74 1.90 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 1.80 1.30 0.88 0.00 0.00 32 D 8.18 4.94 0.00 3.30 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 33 S 8.85 4.32 0.00 4.08 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 W 8.15 4.28 0.00 3.39 3.05 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 35 F 8.35 3.88 0.00 3.31 3.09 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 0.00 0.00 0.00 0.00 36 E 8.28 4.00 0.00 2.20 2.26 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 2.41 2.54 0.00 37 E 8.10 3.84 0.00 2.00 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 2.31 2.39 0.00 38 K 7.39 3.72 0.00 1.24 1.36 0.00 1.39 0.00 0.00 1.34 0.00 0.00 2.75 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.48 0.21 7.81 39 A 7.89 4.08 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.53 4.48 0.00 2.80 2.85 0.00 0.00 7.06 6.97 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 41 L 7.03 3.89 0.00 1.77 1.58 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.68 4.23 0.00 1.93 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 2.22 2.40 0.00 * Residues marked with a * may have inaccurate shift predictions.