NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.0626 8.0093 120.7894 60.2936 39.0399 175.3074 4 P 4.5699 0.0000 0.0000 61.0578 32.6797 172.4710 5 E 4.0484 8.8327 120.1804 56.1112 30.8465 178.3026 6 A 3.4746 7.3845 124.0012 50.4025 19.1494 175.8412 7 P 4.1877 0.0000 0.0000 63.1862 32.2502 178.0285 8 R 4.3031 8.1709 122.2941 55.2712 28.3398 174.1594 9 D 4.6311 7.3178 116.9213 54.5400 42.2788 176.7413 *11 Q 4.0162 7.6425 119.0789 54.2543 30.1975 174.8242 12 A 4.2973 8.1523 122.1088 52.2163 19.5904 176.0947 13 Y 5.1566 8.6379 119.3217 56.3397 41.4055 175.6190 14 V 4.6371 9.0794 116.1570 59.9334 35.1017 174.7417 15 R 4.5820 8.4943 122.1631 54.7295 31.0066 175.6630 16 K 4.2891 8.7880 124.6243 56.8200 34.7820 176.0706 *19 E 4.0233 7.8463 116.6345 55.6756 30.5498 174.2760 20 W 5.2278 8.5314 122.1129 56.1531 30.1956 175.8422 21 V 4.7689 9.2012 125.0169 60.6439 34.3783 174.7291 22 L 3.8411 8.6291 127.2726 54.7536 42.0981 177.8466 23 L 4.1917 8.9359 126.0800 58.4904 42.0013 179.4725 24 S 4.2086 8.0716 113.6100 61.1893 62.6424 176.0193 25 T 3.9162 7.6988 112.2747 63.4821 68.5464 175.3224 26 F 4.5873 8.0632 119.2621 57.3442 39.5004 175.6028 27 L 4.3970 7.7168 124.4760 54.8343 42.0279 176.1486 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 3 I 8.01 4.06 1.85 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.18 0.98 0.00 0.00 4 P 0.00 4.57 0.00 2.40 2.09 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 2.09 2.08 0.00 5 E 8.83 4.05 0.00 1.94 1.81 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 2.32 2.23 0.00 6 A 7.38 3.47 -0.05 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 0.00 0.00 7 P 0.00 4.19 0.00 1.94 1.96 0.00 2.20 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.94 0.00 8 R 8.17 4.30 0.00 1.77 1.87 0.00 3.12 0.00 0.00 3.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 9 D 7.32 4.63 0.00 2.76 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.64 4.02 0.00 2.15 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.28 0.00 12 A 8.15 4.30 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 13 Y 8.64 5.16 0.00 2.67 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 14 V 9.08 4.64 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 0.79 0.00 0.00 1.01 0.00 0.00 15 R 8.49 4.58 0.00 1.39 1.66 0.00 2.23 0.00 0.00 2.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.28 0.00 16 K 8.79 4.29 0.00 1.75 1.81 0.00 2.13 0.00 0.00 1.91 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.42 7.81 *19 E 7.85 4.02 0.00 2.19 1.94 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 2.28 2.30 0.00 20 W 8.53 5.23 0.00 3.02 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 9.20 4.77 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.08 0.00 0.00 22 L 8.63 3.84 0.00 1.54 1.40 0.86 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.94 4.19 0.00 1.78 1.75 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.07 4.21 0.00 4.06 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 25 T 7.70 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 1.10 0.00 0.00 26 F 8.06 4.59 0.00 3.21 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 27 L 7.72 4.40 0.00 1.63 1.54 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.