NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2538 8.2493 123.5821 51.6802 19.8223 175.5536 2 C 4.3378 8.6667 116.9130 55.2170 42.2343 170.9378 3 S 4.7261 8.8016 113.8050 57.2702 64.8239 174.0726 4 G 4.3696 8.4203 110.4914 43.9380 0.0000 173.7299 5 R 5.1305 8.0517 119.8100 53.9437 27.5376 176.4328 6 G 5.0952 7.2045 123.6702 45.7006 0.0000 169.9368 7 S 4.7464 7.5614 115.6449 56.0644 65.8200 174.8983 8 R 4.5530 8.2854 118.6524 55.6145 31.3412 173.7845 9 C 5.0343 8.2218 111.0147 53.9483 44.5918 173.3754 *12 Q 4.2325 8.3560 117.1969 55.6416 29.9701 175.5972 13 C 4.7711 8.9660 121.0047 57.4178 41.5449 174.5767 14 C 4.3443 9.0603 120.8132 56.6596 40.5126 172.8852 15 M 4.3007 8.3536 120.3618 57.5037 32.0499 175.0847 16 G 4.0798 9.2029 113.5430 45.2033 0.0000 173.1940 17 L 5.1645 7.4333 118.4728 53.6226 43.6004 176.3869 18 R 4.6414 8.8459 116.0698 54.6034 33.3289 174.0199 19 C 4.6093 8.9192 121.4990 56.3476 44.9046 172.9279 20 G 3.9742 8.6736 115.1187 45.3482 0.0000 171.8105 21 R 4.4077 8.5448 123.2974 56.0109 30.6638 176.2674 22 G 4.0225 7.7033 105.9402 43.4373 0.0000 172.1716 23 N 4.9498 8.1200 117.3428 49.9861 39.1362 172.4341 24 P 4.4291 0.0000 0.0000 62.0551 32.2911 176.2279 25 Q 4.2890 8.3779 120.0089 56.6931 29.6785 175.8027 26 K 4.4956 8.6570 121.0626 55.6275 35.9159 174.2891 27 C 5.0624 9.0954 125.5619 57.1696 40.8922 172.8024 28 I 4.6575 8.6897 114.9185 59.5259 41.2754 173.5265 29 G 4.3058 8.5672 108.3012 45.2010 0.0000 174.3031 30 A 4.2096 8.9746 128.1956 55.0054 18.7541 178.0497 31 H 4.5039 7.8045 116.8740 55.0922 28.3065 174.5204 *33 D 4.5020 7.9528 127.7471 53.5773 42.4796 176.0063 34 V 3.9846 7.7385 123.7902 63.1334 31.8865 174.6479 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 A 8.25 4.25 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.67 4.34 0.00 3.31 3.16 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 3 S 8.80 4.73 0.00 4.06 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 4 G 8.42 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.05 5.13 0.00 1.79 1.88 0.00 3.21 0.00 0.00 3.89 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 6 G 7.20 5.10 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 0.00 0.00 0.00 7 S 7.56 4.75 0.00 3.98 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 8 R 8.29 4.55 0.00 1.94 2.13 0.00 3.13 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 9 C 8.22 5.03 0.00 2.95 3.06 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 0.00 0.00 0.00 0.00 *12 Q 8.36 4.23 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.07 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 13 C 8.97 4.77 0.00 2.85 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 C 9.06 4.34 0.00 2.97 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.35 4.30 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.61 0.00 16 G 9.20 4.08 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 0.00 0.00 0.00 17 L 7.43 5.16 0.00 1.70 1.62 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.85 4.64 0.00 1.80 1.96 0.00 2.77 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 19 C 8.92 4.61 0.00 3.01 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 20 G 8.67 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.54 4.41 0.00 1.83 1.96 0.00 3.03 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 22 G 7.70 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 23 N 8.12 4.95 0.00 2.76 2.78 0.00 0.00 5.96 7.75 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 24 P 0.00 4.43 0.00 2.20 2.09 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 25 Q 8.38 4.29 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.66 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 26 K 8.66 4.50 0.00 1.80 1.59 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.48 7.81 27 C 9.10 5.06 0.00 3.09 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 28 I 8.69 4.66 1.87 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 1.16 1.57 0.97 0.00 0.00 29 G 8.57 4.31 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 0.00 30 A 8.97 4.21 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.80 4.50 0.00 3.09 3.26 0.00 5.96 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 *33 D 7.95 4.50 0.00 2.69 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 34 V 7.74 3.98 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 0.87 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.