NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.1117 8.2548 109.1455 44.9483 0.0000 173.1849 2 I 4.5646 8.1230 120.5732 56.2844 41.3509 172.5322 3 P 3.1453 0.0000 0.0000 63.3502 31.5433 176.6673 4 C 4.2764 9.1379 120.8130 59.1349 40.6958 174.4114 5 G 3.6757 8.1209 113.4975 46.0982 0.0000 172.2069 *7 S 4.4071 7.3357 116.5078 58.5548 63.9745 171.7688 8 C 5.6958 8.7416 114.0927 54.1084 41.8321 176.1754 9 V 3.7156 8.4272 121.4226 66.5921 31.6502 175.5781 10 W 4.4532 8.4505 115.5785 57.7900 31.0717 175.6699 11 I 4.4698 7.6488 118.9953 58.7155 38.0763 173.7335 12 P 4.6531 0.0000 0.0000 62.7245 32.4599 175.4121 13 C 4.6806 8.5015 115.5931 55.4990 42.4158 173.1952 14 I 4.2561 7.4594 122.0883 64.2534 38.8769 179.4509 15 S 4.7309 8.0626 112.1076 58.9278 61.9218 174.9289 16 S 4.5301 8.0070 114.4850 56.6648 64.2006 173.5395 17 A 3.7880 7.9877 122.4385 53.3578 15.8291 178.3239 18 I 3.9174 7.9571 122.1141 63.4443 37.8322 177.1006 19 G 3.8603 8.3594 106.9323 46.4726 0.0000 173.3641 20 C 5.2620 8.0224 114.6139 54.8946 43.7352 173.9263 21 S 4.8927 9.1551 117.9280 57.0414 64.9431 172.6615 22 C 4.9237 8.7608 124.9078 56.0270 45.4072 172.7749 23 K 4.5125 9.1972 127.6485 56.1133 34.8862 176.0103 24 S 3.8092 9.3258 121.6172 59.8013 60.5053 172.2469 25 K 3.9771 8.2559 114.4543 57.3056 29.8254 175.2736 26 V 4.9496 7.7133 110.3448 59.9094 36.3840 173.9467 27 C 5.3009 8.8346 120.4836 56.7205 37.3776 172.3513 28 Y 5.1737 9.1741 120.0804 56.5145 42.4481 174.3965 29 R 4.7579 9.3923 121.1914 56.3500 34.4991 174.8984 30 N 4.4780 9.0151 121.8511 53.9499 38.9177 173.9845 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 G 8.25 4.11 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 0.00 0.00 0.00 2 I 8.12 4.56 1.91 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.26 0.81 0.00 0.00 3 P 0.00 3.15 0.00 1.73 1.28 0.00 3.54 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.81 0.00 4 C 9.14 4.28 0.00 2.84 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 5 G 8.12 3.68 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 0.00 0.00 0.00 *7 S 7.34 4.41 0.00 3.97 4.04 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 8 C 8.74 5.70 0.00 3.01 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 9 V 8.43 3.72 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.12 0.00 0.00 10 W 8.45 4.45 0.00 3.24 3.28 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 11 I 7.65 4.47 1.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.33 0.95 0.00 0.00 12 P 0.00 4.65 0.00 2.20 2.07 0.00 3.80 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 13 C 8.50 4.68 0.00 3.12 3.21 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 14 I 7.46 4.26 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.97 0.92 0.00 0.00 15 S 8.06 4.73 0.00 3.87 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.01 4.53 0.00 3.92 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 17 A 7.99 3.79 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.96 3.92 1.88 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 1.35 0.60 0.91 0.00 0.00 19 G 8.36 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 C 8.02 5.26 0.00 2.86 3.10 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 21 S 9.16 4.89 0.00 3.76 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 C 8.76 4.92 0.00 3.01 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 23 K 9.20 4.51 0.00 1.65 1.39 0.00 1.71 0.00 0.00 1.32 0.00 0.00 2.75 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.15 1.30 7.81 24 S 9.33 3.81 0.00 3.95 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 25 K 8.26 3.98 0.00 1.96 1.90 0.00 1.61 0.00 0.00 1.79 0.00 0.00 3.14 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.37 7.81 26 V 7.71 4.95 2.26 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 0.87 0.00 0.00 1.17 0.00 0.00 27 C 8.83 5.30 0.00 2.93 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 Y 9.17 5.17 0.00 2.84 2.83 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 29 R 9.39 4.76 0.00 1.81 1.68 0.00 3.36 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 30 N 9.02 4.48 0.00 2.97 2.72 0.00 0.00 7.22 7.57 0.00 0.00 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.