NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.0347 8.0093 121.4499 60.6535 38.3841 175.4445 4 P 4.5553 0.0000 0.0000 60.9004 32.8156 172.3054 5 E 4.0580 8.8349 119.5424 56.0659 30.7258 178.3562 6 A 3.4267 7.5303 124.1744 50.4957 19.0777 175.7977 7 P 4.0859 0.0000 0.0000 63.4042 32.1186 178.3359 8 R 4.3357 8.2172 124.3312 54.8107 28.4833 174.4225 9 D 4.5317 7.3253 118.7925 54.4737 42.9867 176.3060 *11 Q 4.0086 7.7060 118.9111 54.4415 30.1481 174.7340 12 A 4.4199 8.0580 122.0774 51.9363 19.9528 176.0672 13 Y 5.1691 8.5449 118.1895 56.3008 41.7673 175.0744 14 V 4.9100 9.1942 114.7155 59.7504 36.2144 174.7674 15 R 4.6391 8.5109 120.6789 55.0773 31.0453 176.6401 16 K 4.2240 8.7556 122.2656 56.9968 34.6423 175.9683 *19 E 4.0452 7.7804 116.3504 55.7220 30.5653 174.0806 20 W 5.4003 8.4896 120.5909 56.0700 30.3052 176.1552 21 V 4.8762 9.3994 124.2416 60.6922 34.9893 174.6367 22 L 3.7608 8.6498 126.4764 54.9723 42.2470 177.7276 23 L 4.1491 8.9735 126.0506 58.6443 41.7863 179.6549 24 S 4.2019 8.0733 113.5428 61.4271 62.5358 175.7363 25 T 3.9425 7.5973 111.2769 62.8488 68.7191 175.2710 26 F 4.7918 7.9805 118.9931 57.3678 40.5396 175.2161 27 L 4.3088 7.6124 123.3506 54.8329 41.6018 176.3008 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 4.03 1.91 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.00 0.83 0.00 0.00 4 P 0.00 4.56 0.00 2.36 2.13 0.00 3.74 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 2.20 2.11 0.00 5 E 8.83 4.06 0.00 1.95 1.84 0.00 0.00 0.00 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 2.24 0.00 6 A 7.53 3.43 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.09 0.00 1.86 1.93 0.00 2.20 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.91 0.00 8 R 8.22 4.34 0.00 1.76 1.86 0.00 3.12 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 9 D 7.33 4.53 0.00 2.73 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 7.71 4.01 0.00 2.13 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.98 0.00 0.00 0.00 0.00 0.00 2.23 2.56 0.00 12 A 8.06 4.42 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 13 Y 8.54 5.17 0.00 2.52 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 9.19 4.91 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.96 0.00 0.00 15 R 8.51 4.64 0.00 1.62 1.59 0.00 2.21 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.09 0.00 16 K 8.76 4.22 0.00 1.79 1.88 0.00 2.26 0.00 0.00 1.87 0.00 0.00 3.13 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.41 1.47 7.81 *19 E 7.78 4.05 0.00 2.10 1.95 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 2.29 2.31 0.00 20 W 8.49 5.40 0.00 3.05 2.94 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 0.00 0.00 0.00 21 V 9.40 4.88 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.13 0.00 0.00 22 L 8.65 3.76 0.00 1.49 1.37 0.83 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.97 4.15 0.00 1.77 1.75 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.07 4.20 0.00 4.03 4.07 0.00 0.00 0.00 0.00 0.00 0.00 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 7.60 3.94 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 1.04 0.00 0.00 26 F 7.98 4.79 0.00 3.17 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 7.61 4.31 0.00 1.64 1.59 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.