NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 S 4.4469 8.3349 115.4124 57.7415 64.4002 172.9247 23 S 4.1260 8.2910 116.8373 56.9771 63.4644 173.4168 24 D 4.4279 8.4899 123.4013 53.9762 43.6494 175.3707 25 P 4.2828 0.0000 0.0000 66.3175 31.0035 178.7354 26 L 4.0418 8.7099 119.0610 57.3872 41.5133 179.5595 27 V 3.5824 7.6758 117.9646 65.8388 31.6058 177.9791 28 V 3.5714 7.8104 117.8530 65.9676 31.1063 177.9134 29 A 3.9364 7.8262 118.9252 55.2526 18.3858 179.2566 30 A 4.0745 7.8780 117.8318 55.2441 18.6113 179.8280 31 S 4.2847 8.1834 113.9403 61.6500 63.0007 177.6467 32 I 3.9325 7.6516 119.7928 62.0231 36.7795 178.1303 *34 G 3.9325 8.1038 111.5036 45.7661 0.0000 175.8212 35 I 3.6666 8.1877 121.2702 64.3304 37.0997 177.9204 36 L 3.9587 7.7870 119.1638 58.5201 41.6161 179.0526 37 H 4.1928 8.3427 117.0218 59.7310 29.7057 176.9962 38 L 4.1501 8.1583 120.1241 57.2125 41.4280 179.4857 39 I 3.7503 7.9808 120.3028 64.5021 37.0956 178.3963 40 L 4.0411 8.0846 119.7582 57.3037 41.3778 179.3346 41 W 3.9815 8.2872 128.3468 60.6336 30.4911 177.9261 42 I 3.7460 8.0475 118.4017 64.5093 36.3628 178.0058 43 L 4.0975 7.9074 119.5881 58.0223 41.2466 179.3065 44 D 4.2637 7.7070 117.5132 57.3558 40.8145 178.6585 45 R 3.6685 7.2155 117.6114 58.3087 30.0159 176.7634 46 L 4.2328 7.2059 122.1144 55.0849 41.8043 176.4225 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 22 S 8.33 4.45 0.00 3.99 3.96 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 23 S 8.29 4.13 0.00 3.96 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.49 4.43 0.00 2.70 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.28 0.00 2.30 2.31 0.00 3.74 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 26 L 8.71 4.04 0.00 1.78 1.75 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 27 V 7.68 3.58 2.19 0.00 0.00 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 0.93 0.00 0.00 28 V 7.81 3.57 2.21 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 0.95 0.00 0.00 0.96 0.00 0.00 29 A 7.83 3.94 1.37 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 0.00 0.00 30 A 7.88 4.07 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.18 4.28 0.00 4.06 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.65 3.93 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 1.46 1.28 0.92 0.00 0.00 *34 G 8.10 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 0.00 0.00 0.00 0.00 35 I 8.19 3.67 2.04 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 1.53 0.65 0.92 0.00 0.00 36 L 7.79 3.96 0.00 1.80 1.78 1.02 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 37 H 8.34 4.19 0.00 3.25 3.50 0.00 5.86 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 38 L 8.16 4.15 0.00 1.75 1.70 0.86 0.43 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 39 I 7.98 3.75 2.13 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.78 0.94 0.00 0.00 40 L 8.08 4.04 0.00 1.90 1.75 0.98 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 41 W 8.29 3.98 0.00 3.39 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.05 3.75 1.98 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.19 0.97 0.00 0.00 43 L 7.91 4.10 0.00 1.86 1.69 0.93 1.09 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 44 D 7.71 4.26 0.00 2.51 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 0.00 0.00 0.00 0.00 45 R 7.22 3.67 0.00 0.77 1.70 0.00 3.02 0.00 0.00 2.77 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.51 0.00 46 L 7.21 4.23 0.00 1.63 1.52 0.90 0.77 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 * Residues marked with a * may have inaccurate shift predictions.