NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2233 8.2649 123.5859 52.3421 19.9473 176.1521 2 C 4.8734 8.0289 115.5813 55.3152 41.0906 172.2301 3 Y 4.8146 9.4496 119.7784 56.5791 42.6074 173.4783 4 C 5.3275 9.1145 121.4886 56.6389 40.9565 173.2207 5 R 4.9541 9.4330 122.9637 54.3503 33.4678 175.2758 6 I 4.6366 8.2355 121.3586 59.0566 40.3666 174.1884 7 P 4.4431 0.0000 0.0000 64.2184 31.9852 175.3642 8 A 4.4602 7.2441 119.2514 51.2222 21.6788 176.3703 9 C 4.4438 8.6175 117.3622 57.0931 41.7158 173.9250 10 I 4.2155 8.2488 115.8848 58.7363 39.1373 174.9462 11 A 4.1597 8.2174 123.4802 54.0716 18.3151 178.2687 12 G 3.9599 9.0151 110.1483 45.2109 0.0000 173.0441 13 E 4.8931 7.7586 118.2277 54.7175 32.1169 175.0788 14 R 4.6164 8.5582 118.7747 54.2382 34.4466 174.7831 15 R 4.7004 8.1914 121.5272 56.0860 30.4303 175.4819 16 Y 4.5690 9.0218 123.8273 57.4036 39.1834 176.8826 17 G 4.2111 7.4017 106.6899 46.3781 0.0000 171.6838 18 T 5.0489 8.4977 116.4538 62.2430 72.6371 174.2132 19 C 4.9805 8.9176 121.8068 55.2800 43.5144 172.7147 20 I 4.8385 8.3398 122.7065 59.7884 39.3090 174.5718 21 Y 4.4923 9.1126 128.7367 56.5355 40.9160 175.4257 22 Q 2.9394 9.5122 128.9708 56.9384 26.2372 175.0783 23 G 3.9550 8.2505 103.2685 45.2972 0.0000 173.0982 24 R 4.6746 8.3445 119.0368 54.2283 32.6800 175.4355 25 L 5.1693 8.4514 120.0008 52.3434 44.1903 175.5545 *27 A 4.1856 8.0370 120.2973 51.9965 20.4177 175.4705 28 F 5.2536 8.9953 124.9602 57.4613 40.8455 173.7810 29 C 5.5478 9.0362 124.5106 55.3208 43.7316 173.8133 30 C 4.7275 9.1711 119.6333 57.2290 42.0996 173.9499 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 4.22 1.06 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 0.00 0.00 2 C 8.03 4.87 0.00 2.65 1.99 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 3 Y 9.45 4.81 0.00 2.77 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 9.11 5.33 0.00 2.93 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 5 R 9.43 4.95 0.00 1.62 1.79 0.00 3.09 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.00 6 I 8.24 4.64 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.64 0.92 0.00 0.00 7 P 0.00 4.44 0.00 2.17 2.17 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 8 A 7.24 4.46 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.62 4.44 0.00 2.94 3.01 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 10 I 8.25 4.22 1.82 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.80 0.86 0.00 0.00 11 A 8.22 4.16 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 9.02 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 7.76 4.89 0.00 2.12 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 2.29 2.24 0.00 14 R 8.56 4.62 0.00 0.98 1.25 0.00 3.13 0.00 0.00 3.00 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 15 R 8.19 4.70 0.00 1.77 1.75 0.00 3.21 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.90 0.00 16 Y 9.02 4.57 0.00 2.93 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 17 G 7.40 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.50 5.05 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 8.92 4.98 0.00 2.92 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 20 I 8.34 4.84 1.88 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 1.25 0.61 0.92 0.00 0.00 21 Y 9.11 4.49 0.00 2.96 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 9.51 2.94 0.00 1.55 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.48 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 23 G 8.25 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.34 4.67 0.00 2.09 1.90 0.00 3.22 0.00 0.00 3.43 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 25 L 8.45 5.17 0.00 1.65 1.63 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 *27 A 8.04 4.19 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 28 F 9.00 5.25 0.00 3.10 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 29 C 9.04 5.55 0.00 2.96 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 30 C 9.17 4.73 0.00 2.78 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.