NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.6703 8.0600 120.2556 56.5592 32.3754 177.3202 2 M 3.9390 8.0820 117.3815 58.3811 32.1826 177.2858 3 R 4.1503 8.7452 121.6432 61.3771 29.8784 180.4021 4 Q 4.2166 7.9023 117.3531 59.1213 28.8222 178.5242 5 I 3.7360 7.9580 120.9416 64.3460 37.1287 178.3012 6 E 3.9823 8.4091 119.5761 59.5933 29.2852 179.2046 7 D 4.3707 8.0816 118.9561 57.2547 40.7632 178.8339 8 R 4.0762 8.1576 119.3339 59.4215 30.0159 178.5806 9 L 3.9705 8.1136 118.9091 57.6935 41.5134 179.1309 10 E 3.9410 8.1995 119.3618 59.2558 29.5933 178.7662 11 E 3.9817 8.1877 118.7776 59.2885 29.4713 179.3871 12 I 3.6859 8.0486 120.1212 64.3248 37.1479 178.2908 13 L 3.9458 8.1551 120.1225 57.8726 41.5465 179.3635 14 S 4.1063 8.1984 112.9590 61.5993 62.2496 176.3474 15 K 4.0059 8.0212 121.9794 59.3422 31.8450 178.7965 16 L 3.9645 8.3787 119.8673 58.1229 41.5135 179.2024 17 H 4.1877 8.4320 116.2826 59.1106 28.6130 177.5889 *18 H 4.1635 8.2054 117.9318 58.8811 28.3198 177.8846 19 I 3.7227 7.9962 121.7121 64.5397 36.8375 178.1325 20 C 4.0833 8.2997 117.6897 63.0898 27.9752 176.0597 21 N 4.3586 8.1912 117.9035 56.3675 38.1024 177.4274 22 E 4.0182 8.3712 120.0624 59.3296 29.4832 179.3857 23 L 4.0152 8.3307 119.2145 57.5118 41.6496 179.3515 24 A 3.9809 8.3641 121.2752 55.1299 18.2522 179.6247 25 R 3.8489 8.0179 117.2380 59.5135 30.0419 178.8602 26 I 3.6520 7.8303 119.5493 64.3885 37.2745 177.9978 27 R 3.8801 8.2214 119.9620 59.8370 29.5478 178.5563 28 R 3.9231 7.8418 115.9657 59.3008 30.5299 178.7068 29 L 4.1388 8.1382 118.9126 57.8800 41.6395 179.6046 30 L 4.1331 8.3738 119.3624 57.7552 41.3103 179.8308 31 G 3.6950 7.7547 104.1849 47.1565 0.0000 174.7257 32 E 4.3186 7.6897 118.0576 56.9933 29.8406 176.7651 33 R 4.1480 7.6525 123.2319 56.3864 30.2423 176.1750 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 8.06 4.67 0.00 1.86 1.99 0.00 3.18 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 2 M 8.08 3.94 0.00 2.25 2.04 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.72 0.00 3 R 8.75 4.15 0.00 1.86 1.92 0.00 3.30 0.00 0.00 3.34 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.29 0.00 4 Q 7.90 4.22 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.88 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 5 I 7.96 3.74 2.00 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 1.52 0.79 0.91 0.00 0.00 6 E 8.41 3.98 0.00 2.20 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 2.33 2.42 0.00 7 D 8.08 4.37 0.00 2.88 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 R 8.16 4.08 0.00 2.04 2.06 0.00 3.20 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 9 L 8.11 3.97 0.00 1.90 1.70 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.20 3.94 0.00 2.21 2.14 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 2.31 2.40 0.00 11 E 8.19 3.98 0.00 2.24 1.98 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 2.33 2.47 0.00 12 I 8.05 3.69 2.02 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 1.52 0.68 0.90 0.00 0.00 13 L 8.16 3.95 0.00 1.92 1.78 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.20 4.11 0.00 3.98 4.10 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 15 K 8.02 4.01 0.00 1.94 1.91 0.00 1.58 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.52 7.81 16 L 8.38 3.96 0.00 1.82 1.63 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 17 H 8.43 4.19 0.00 3.40 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.93 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 4.16 0.00 3.26 3.12 0.00 7.18 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 8.00 3.72 2.02 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 1.52 0.79 0.91 0.00 0.00 20 C 8.30 4.08 0.00 3.18 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.19 4.36 0.00 2.94 2.87 0.00 0.00 7.08 7.82 0.00 0.00 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 8.37 4.02 0.00 2.25 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 2.33 2.22 0.00 23 L 8.33 4.02 0.00 1.82 1.71 0.92 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.36 3.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 3.85 0.00 1.97 2.14 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 26 I 7.83 3.65 2.02 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 0.65 0.91 0.00 0.00 27 R 8.22 3.88 0.00 1.89 2.23 0.00 3.14 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 1.75 0.00 28 R 7.84 3.92 0.00 2.01 1.98 0.00 3.22 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 29 L 8.14 4.14 0.00 1.80 1.72 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.37 4.13 0.00 1.83 1.72 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.75 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.69 4.32 0.00 2.37 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 2.21 0.00 33 R 7.65 4.15 0.00 1.91 1.83 0.00 3.19 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 * Residues marked with a * may have inaccurate shift predictions.