NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3579 8.1227 122.4482 51.9654 20.7575 174.7568 3 Q 4.6985 8.4707 119.7061 53.4891 31.5627 169.2431 4 V 4.4300 8.4247 124.8984 60.9296 35.9990 174.3957 5 S 5.4414 8.8245 120.0143 57.3434 63.7184 172.7333 6 R 4.7936 8.3469 119.0171 55.4637 32.0852 174.8805 7 Q 4.2815 8.2942 115.6041 55.2949 28.7085 177.0241 *25 N 4.9395 7.9941 116.5817 53.9134 40.2257 173.5472 26 Y 5.3211 9.1219 119.8431 55.2721 42.2271 173.6737 27 F 4.9512 8.9381 122.3900 57.3992 40.8711 174.6643 28 N 4.3272 7.8677 123.6052 52.5555 41.8958 173.5727 29 I 4.3536 7.2178 118.3572 58.9108 40.9211 174.0292 30 N 4.3958 8.1646 118.7799 52.8129 39.3089 175.0112 31 Y 4.4826 8.1671 118.5534 57.8243 39.2169 175.4894 32 F 5.0010 7.7938 117.7014 55.2320 41.8547 175.5477 33 K 4.2503 8.7617 120.6471 58.0843 33.3983 176.4708 34 D 4.9253 7.8878 120.3724 52.1688 42.9649 177.1330 35 A 4.0169 8.6674 126.2075 55.0345 18.6784 179.3593 36 A 4.0885 8.0111 117.7484 55.2419 18.5494 178.9523 37 S 4.1758 7.9930 111.4007 61.1402 63.1010 174.8727 38 N 4.4927 7.8224 117.2061 53.1299 38.8584 175.7130 39 G 3.8750 8.2499 108.6677 44.5860 0.0000 173.1771 40 A 4.0953 8.4265 121.4718 52.4198 18.7723 178.0621 41 S 4.3795 8.3050 116.4602 58.1621 63.7014 174.5307 42 K 4.2755 8.2827 122.5301 56.0684 32.7797 177.3550 43 L 4.2073 8.4008 121.3697 55.1284 41.6711 176.8398 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 2 A 8.12 4.36 1.18 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 0.00 0.00 3 Q 8.47 4.70 0.00 2.14 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.74 0.00 0.00 0.00 0.00 0.00 2.20 2.37 0.00 4 V 8.42 4.43 1.63 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 0.84 0.00 0.00 0.48 0.00 0.00 5 S 8.82 5.44 0.00 3.95 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 6 R 8.35 4.79 0.00 1.83 1.96 0.00 3.44 0.00 0.00 3.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 7 Q 8.29 4.28 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.53 0.00 0.00 0.00 0.00 0.00 2.26 1.94 0.00 *25 N 7.99 4.94 0.00 2.82 2.92 0.00 0.00 6.48 7.48 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 26 Y 9.12 5.32 0.00 3.01 2.98 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 27 F 8.94 4.95 0.00 3.00 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 28 N 7.87 4.33 0.00 2.40 2.24 0.00 0.00 6.95 7.46 0.00 0.00 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 I 7.22 4.35 1.55 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 -0.05 0.69 0.00 0.00 30 N 8.16 4.40 0.00 2.62 2.72 0.00 0.00 6.86 7.46 0.00 0.00 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 Y 8.17 4.48 0.00 2.25 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.79 5.00 0.00 3.07 2.98 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 33 K 8.76 4.25 0.00 1.90 1.99 0.00 1.61 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.43 7.81 34 D 7.89 4.93 0.00 2.80 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 35 A 8.67 4.02 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 A 8.01 4.09 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.99 4.18 0.00 4.13 3.83 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 38 N 7.82 4.49 0.00 2.83 2.77 0.00 0.00 6.97 6.96 0.00 0.00 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 8.25 3.88 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 0.00 0.00 0.00 40 A 8.43 4.10 1.26 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 0.00 0.00 41 S 8.31 4.38 0.00 3.88 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 42 K 8.28 4.28 0.00 1.75 1.74 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.48 1.48 7.81 43 L 8.40 4.21 0.00 1.62 1.58 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.