NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1416 8.2649 123.5691 52.1142 19.8358 176.3870 2 C 4.8691 7.9634 116.2569 54.8645 42.6448 171.6588 3 Y 4.8189 9.3245 118.6799 56.7027 42.6937 173.7583 4 C 5.2503 9.0723 121.4980 56.6228 40.8804 173.1256 5 R 4.9303 9.1680 123.7143 54.2873 32.6271 175.7758 6 I 4.5752 8.3654 122.8524 59.1026 39.9527 173.8622 7 P 4.5408 0.0000 0.0000 63.2907 32.0930 174.7641 8 A 4.4441 7.2683 119.7572 51.4252 21.7163 176.3044 9 C 4.5380 8.6007 117.3138 57.0383 41.9916 173.7815 10 I 4.3473 8.4065 114.9563 58.8012 39.0059 175.1615 11 A 3.9895 8.3700 124.1032 54.5127 18.3084 178.2714 12 G 4.0016 9.2049 110.9351 44.9425 0.0000 172.8658 13 E 4.9665 7.8941 117.9629 54.4915 32.7709 175.2178 14 R 4.6712 8.5989 118.7041 54.2440 34.3536 174.8132 15 R 4.6877 8.3637 122.3826 56.4433 30.3964 175.5174 16 Y 4.5029 9.4875 123.5817 57.2777 39.2431 177.1558 17 G 4.2202 7.3596 106.6073 46.4952 0.0000 171.4653 18 T 5.0882 8.3920 117.0742 62.2264 72.7262 174.2190 19 C 5.1600 8.8995 120.6815 55.2244 44.4527 172.7500 20 I 4.8095 8.2105 120.8332 60.0193 39.4502 175.7974 21 Y 4.7268 9.0850 128.0237 57.0569 39.8892 173.7664 22 Q 3.7215 8.6770 127.9177 56.4574 25.0858 174.7979 23 G 3.9675 8.3743 103.3502 45.4635 0.0000 173.2476 24 R 4.5984 7.4231 118.3919 54.1609 32.9219 175.7988 25 L 5.1924 8.5052 121.1741 52.7415 43.8092 175.3747 *27 A 4.2006 8.0720 119.6790 52.1320 20.3466 175.5139 28 F 5.2603 9.1016 125.2973 57.4365 40.9063 173.8702 29 C 5.5650 8.9656 123.9765 55.3381 44.4765 173.7617 30 C 4.5537 9.1928 119.4049 57.1961 42.0827 173.9483 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 4.14 1.04 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 0.00 0.00 2 C 7.96 4.87 0.00 2.64 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 0.00 0.00 0.00 0.00 3 Y 9.32 4.82 0.00 2.77 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 9.07 5.25 0.00 2.84 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 5 R 9.17 4.93 0.00 1.65 1.91 0.00 3.21 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.77 0.00 6 I 8.37 4.58 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.70 0.94 0.00 0.00 7 P 0.00 4.54 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 7.27 4.44 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 8.60 4.54 0.00 2.96 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 10 I 8.41 4.35 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.58 0.84 0.00 0.00 11 A 8.37 3.99 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 12 G 9.20 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.89 4.97 0.00 2.08 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 2.27 2.23 0.00 14 R 8.60 4.67 0.00 1.37 1.38 0.00 3.16 0.00 0.00 3.01 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 15 R 8.36 4.69 0.00 1.80 1.78 0.00 3.22 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.90 0.00 16 Y 9.49 4.50 0.00 2.92 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 17 G 7.36 4.22 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 0.00 18 T 8.39 5.09 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 8.90 5.16 0.00 2.90 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 20 I 8.21 4.81 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 1.26 0.63 0.94 0.00 0.00 21 Y 9.08 4.73 0.00 2.88 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 8.68 3.72 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.62 0.00 0.00 0.00 0.00 0.00 2.05 2.05 0.00 23 G 8.37 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 7.42 4.60 0.00 1.94 1.83 0.00 3.29 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 25 L 8.51 5.19 0.00 1.66 1.66 0.94 0.97 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 8.07 4.20 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 28 F 9.10 5.26 0.00 3.13 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 8.97 5.57 0.00 2.88 3.02 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 30 C 9.19 4.55 0.00 2.63 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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.