NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 I 4.0531 8.0249 121.4421 60.0689 39.0049 175.8257 13 P 4.0463 0.0000 0.0000 62.6892 32.1177 173.4320 14 E 3.9532 8.7492 123.2770 59.1922 30.0687 179.1279 15 W 4.3439 8.2103 116.2180 59.4335 28.1596 178.3979 16 K 3.1760 6.6639 118.9311 58.7701 31.3103 179.1950 17 Q 3.8790 7.4841 118.0925 59.0497 28.6010 178.6269 18 E 4.1098 8.5442 119.9387 59.0912 29.3982 179.2040 19 E 3.9276 7.9435 119.1720 59.3578 29.8713 178.9190 20 V 3.7873 7.7737 118.1101 66.0112 31.3230 177.5841 21 D 4.2931 7.8268 118.8076 57.0429 40.9197 178.0872 22 A 4.0293 8.2750 121.2471 55.6951 18.3360 179.8640 23 I 3.6595 8.3934 118.2101 64.6085 37.2444 178.9336 24 V 3.6686 7.6094 118.4565 65.6197 31.2274 178.0604 25 E 3.9348 8.4734 119.1153 59.8125 29.1896 179.2188 26 M 4.1902 7.7830 116.7886 58.0552 32.0413 178.5680 27 I 3.9403 7.5735 119.4937 63.8516 37.3021 177.9391 28 E 4.1328 7.9312 119.4136 59.1623 29.4727 178.7751 29 S 4.2632 7.7766 112.7273 59.7865 63.8781 174.5628 *63 R 4.2038 7.1035 119.4864 55.5867 31.4282 176.1537 64 N 4.4066 8.5938 116.8996 56.6577 38.6078 177.8204 65 T 4.1479 7.8233 112.1064 64.4115 68.6967 176.2858 66 L 4.0065 7.8449 121.1337 57.2539 41.6859 179.3157 67 L 4.0326 7.5862 119.0778 57.8180 41.1880 179.3042 68 E 4.0293 8.7373 118.7693 58.8398 29.0568 179.4772 69 R 3.8468 7.7662 118.2664 59.4805 30.5884 178.0821 70 A 4.2687 7.9985 120.5359 55.2011 18.1045 179.6141 71 L 4.0144 7.8785 116.8088 57.8158 41.7931 178.7697 72 D 4.5566 7.7845 116.0293 55.5554 40.7786 176.6867 73 D 4.6758 7.8536 125.0728 54.3234 41.3308 175.7057 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 12 I 8.02 4.05 1.85 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 1.38 1.04 0.88 0.00 0.00 13 P 0.00 4.05 0.00 1.75 1.98 0.00 3.44 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.24 0.00 14 E 8.75 3.95 0.00 2.07 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 2.40 2.38 0.00 15 W 8.21 4.34 0.00 3.63 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 K 6.66 3.18 0.00 1.36 1.34 0.00 1.25 0.00 0.00 1.43 0.00 0.00 2.81 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.30 0.21 7.81 17 Q 7.48 3.88 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 18 E 8.54 4.11 0.00 2.04 2.04 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 2.35 2.52 0.00 19 E 7.94 3.93 0.00 2.33 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 0.00 2.39 2.39 0.00 20 V 7.77 3.79 2.15 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 0.94 0.00 0.00 0.88 0.00 0.00 21 D 7.83 4.29 0.00 2.89 2.68 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 22 A 8.27 4.03 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.39 3.66 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 1.43 1.16 0.92 0.00 0.00 24 V 7.61 3.67 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.97 0.00 0.00 25 E 8.47 3.93 0.00 2.28 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 2.35 0.00 26 M 7.78 4.19 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.58 0.00 27 I 7.57 3.94 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 0.77 0.91 0.00 0.00 28 E 7.93 4.13 0.00 2.25 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 2.34 2.31 0.00 29 S 7.78 4.26 0.00 4.04 3.98 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 0.00 0.00 0.00 *63 R 7.10 4.20 0.00 1.97 1.98 0.00 3.25 0.00 0.00 3.43 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 64 N 8.59 4.41 0.00 2.78 2.98 0.00 0.00 6.55 7.05 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 65 T 7.82 4.15 4.22 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 1.21 0.00 0.00 66 L 7.84 4.01 0.00 1.88 1.74 0.89 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.59 4.03 0.00 1.83 1.71 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.74 4.03 0.00 2.08 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 2.54 0.00 69 R 7.77 3.85 0.00 2.00 2.09 0.00 3.29 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 70 A 8.00 4.27 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 71 L 7.88 4.01 0.00 1.79 1.74 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 72 D 7.78 4.56 0.00 2.90 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 73 D 7.85 4.68 0.00 2.78 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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.