NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3435 8.1133 119.7067 56.4535 31.7696 176.4790 2 M 3.9911 8.5469 127.2350 56.8176 32.9076 176.2420 3 K 3.9641 8.0462 120.2495 59.4211 32.9404 177.9451 4 Q 3.9918 8.0710 119.3172 59.3429 28.8868 178.2306 5 I 3.7511 7.6872 120.9534 64.4018 37.1531 178.0400 6 E 3.8534 7.8776 120.2158 59.5478 29.5299 179.0051 7 D 4.3620 8.1274 118.8472 57.4081 40.8225 179.0017 8 K 3.9960 7.8465 119.0597 59.4746 32.0133 179.4457 9 L 3.9937 7.9817 119.3197 57.5857 41.6099 179.1393 10 E 3.9322 8.5361 119.7240 59.1887 29.6264 178.4353 11 E 3.9578 7.9399 119.4778 59.4367 29.7918 178.8855 12 I 3.7310 7.9735 119.9191 64.3331 37.1788 178.2151 13 L 3.9535 7.9798 121.2430 58.0499 41.7454 178.8689 14 S 4.3374 8.1011 112.7638 61.5050 62.2843 176.3476 15 K 4.0585 8.2420 121.0964 59.3426 31.8367 179.3916 16 L 3.9476 7.7645 118.8624 57.9634 41.6453 178.7560 17 Y 4.3280 8.4036 117.0537 61.6249 37.9228 178.5496 18 H 4.1986 8.2089 118.7633 59.4885 30.0362 177.1062 19 I 3.9134 7.8688 122.9620 63.7851 36.8615 178.1386 20 E 3.9315 8.1098 118.7997 59.5626 29.2687 179.0414 21 N 4.3133 8.0683 116.1524 56.4350 38.1146 177.0809 22 E 3.9117 7.9758 119.6302 59.7689 29.4543 179.7858 23 S 4.1247 7.9875 114.6911 61.2930 62.6221 176.4318 24 A 3.9448 8.2481 123.5973 55.4818 18.1102 179.2715 25 R 3.8313 8.1038 116.9211 60.1568 29.9105 178.2540 26 I 3.6614 7.6893 118.4750 64.2517 37.3953 178.1721 27 K 4.0471 7.8781 120.2425 59.3869 32.0020 178.3146 28 K 3.7760 7.6433 119.6950 59.9813 31.8654 178.4542 29 L 4.1127 7.9577 117.6813 57.2580 41.5376 178.7051 30 L 4.5599 7.2749 116.5505 56.5717 42.4662 177.0249 31 G 3.8087 8.9738 108.5262 47.1049 0.0000 172.8960 *32 E 4.1319 8.0269 120.9995 55.2236 30.4399 177.9360 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 R 8.11 4.34 0.00 1.89 1.80 0.00 3.09 0.00 0.00 3.34 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 2 M 8.55 3.99 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.60 0.00 3 K 8.05 3.96 0.00 1.87 1.79 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.55 7.81 4 Q 8.07 3.99 0.00 2.20 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.70 0.00 0.00 0.00 0.00 0.00 2.52 2.52 0.00 5 I 7.69 3.75 2.01 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 1.41 0.92 0.91 0.00 0.00 6 E 7.88 3.85 0.00 2.24 2.00 0.00 0.00 0.00 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 2.56 0.00 7 D 8.13 4.36 0.00 3.01 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 8 K 7.85 4.00 0.00 1.93 1.86 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.63 7.81 9 L 7.98 3.99 0.00 1.82 1.72 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.54 3.93 0.00 2.25 1.96 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 2.32 2.39 0.00 11 E 7.94 3.96 0.00 2.04 2.13 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 2.32 2.37 0.00 12 I 7.97 3.73 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 1.41 0.81 0.91 0.00 0.00 13 L 7.98 3.95 0.00 1.98 1.87 1.02 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.10 4.34 0.00 4.11 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 15 K 8.24 4.06 0.00 1.96 1.88 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.65 7.81 16 L 7.76 3.95 0.00 1.69 1.58 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.40 4.33 0.00 3.18 2.96 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 18 H 8.21 4.20 0.00 3.24 3.54 0.00 5.80 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.87 3.91 1.87 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 1.71 1.45 0.90 0.00 0.00 20 E 8.11 3.93 0.00 2.35 2.03 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 2.31 2.46 0.00 21 N 8.07 4.31 0.00 2.88 2.88 0.00 0.00 7.08 7.46 0.00 0.00 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 E 7.98 3.91 0.00 2.18 1.97 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 2.28 2.18 0.00 23 S 7.99 4.12 0.00 4.02 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.25 3.94 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.10 3.83 0.00 2.17 2.02 0.00 3.17 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 26 I 7.69 3.66 2.01 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 1.40 0.96 0.91 0.00 0.00 27 K 7.88 4.05 0.00 1.77 2.03 0.00 1.66 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.44 7.81 28 K 7.64 3.78 0.00 1.84 2.09 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.51 7.81 29 L 7.96 4.11 0.00 1.89 1.74 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.27 4.56 0.00 1.92 1.69 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.97 3.81 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 0.00 0.00 0.00 *32 E 8.03 4.13 0.00 1.75 1.78 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.