NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1455 8.2649 123.5747 52.2010 19.8654 176.5646 2 C 4.8114 8.0084 116.4845 55.1660 41.2821 171.6478 3 Y 4.8335 9.6028 119.0087 56.6174 42.6805 173.7401 4 C 5.3191 9.0373 121.0361 56.4060 40.9184 173.1618 5 R 4.9671 9.2615 123.5140 54.3040 32.8053 175.7439 6 I 4.6164 8.3433 122.4020 59.1106 40.2292 173.9104 7 P 4.5298 0.0000 0.0000 63.2617 32.0399 174.8997 8 A 4.4265 7.1843 119.6957 51.5124 21.6533 176.3849 9 C 4.5317 8.6523 117.3764 57.0383 42.1720 173.5886 10 I 4.3679 8.2882 114.8482 58.5372 39.3778 175.0507 11 A 4.0930 8.2303 123.8848 54.1215 18.4093 178.2697 12 G 3.9838 9.1096 110.4472 45.0035 0.0000 173.0094 13 E 4.9213 7.8245 118.1182 54.4353 32.4955 175.0016 14 R 4.5845 8.5960 120.6046 54.3667 33.6458 174.3514 15 R 4.7125 8.3558 125.2688 56.3595 30.3843 175.3891 16 Y 4.5581 9.4634 123.6514 57.3318 39.3732 176.8974 17 G 4.1829 7.1886 105.9967 46.4149 0.0000 171.3206 18 T 5.0345 8.3812 116.1441 62.1042 72.3503 174.2897 19 C 5.0399 8.8678 121.1801 55.3058 43.8078 172.6722 20 I 4.9106 8.0606 121.7883 59.9302 39.3364 174.8299 21 Y 4.6926 9.2603 126.7480 57.8985 42.0759 174.2991 22 Q 3.3215 9.2096 126.3428 57.0761 26.2122 174.1229 23 G 3.9687 8.4567 101.7674 46.1907 0.0000 174.1402 24 R 4.6690 7.8434 117.5456 53.9831 33.4229 175.3145 25 L 5.0448 8.4129 119.3119 52.7847 43.7090 175.7800 *27 A 4.1958 8.0396 120.0736 52.0260 20.4233 175.5486 28 F 5.2981 9.0403 124.9303 57.5068 40.7849 173.8004 29 C 5.5358 9.1372 124.4856 55.3350 43.2182 173.8580 30 C 4.5385 9.0974 119.5266 57.2435 42.1891 173.9386 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 8.26 4.15 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 4.81 0.00 2.83 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.60 4.83 0.00 2.80 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 4 C 9.04 5.32 0.00 2.86 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 9.26 4.97 0.00 1.65 1.90 0.00 3.23 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 6 I 8.34 4.62 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.68 0.94 0.00 0.00 7 P 0.00 4.53 0.00 2.18 2.17 0.00 3.81 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 8 A 7.18 4.43 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.65 4.53 0.00 2.96 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.29 4.37 1.83 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.68 0.86 0.00 0.00 11 A 8.23 4.09 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.11 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 0.00 0.00 0.00 13 E 7.82 4.92 0.00 2.09 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.20 0.00 14 R 8.60 4.58 0.00 1.68 1.43 0.00 2.88 0.00 0.00 2.52 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.23 0.00 15 R 8.36 4.71 0.00 1.84 1.77 0.00 3.27 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 16 Y 9.46 4.56 0.00 2.84 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 17 G 7.19 4.18 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 0.00 18 T 8.38 5.03 4.27 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 1.25 0.00 0.00 19 C 8.87 5.04 0.00 2.93 2.97 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 20 I 8.06 4.91 1.90 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 1.25 0.63 0.94 0.00 0.00 21 Y 9.26 4.69 0.00 2.95 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 22 Q 9.21 3.32 0.00 1.86 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.43 0.00 0.00 0.00 0.00 0.00 1.16 1.42 0.00 23 G 8.46 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 24 R 7.84 4.67 0.00 1.96 1.81 0.00 3.27 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 25 L 8.41 5.04 0.00 1.66 1.65 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 *27 A 8.04 4.20 1.32 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 0.00 0.00 28 F 9.04 5.30 0.00 3.08 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.14 5.54 0.00 3.00 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 30 C 9.10 4.54 0.00 2.69 2.71 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 * Residues marked with a * may have inaccurate shift predictions.