NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 I 4.0597 8.0249 121.4454 59.7984 38.4078 176.3332 13 P 4.0532 0.0000 0.0000 62.9054 33.0937 173.6617 14 E 3.9685 8.7407 122.3609 59.1586 29.9383 179.1968 15 W 4.0799 8.3647 116.3889 59.7242 27.8972 178.3848 16 K 3.1056 6.5211 118.5148 58.7305 31.1192 179.1640 17 Q 3.9176 7.3856 117.9628 58.7345 28.7732 178.2967 18 E 4.2088 8.7173 121.7576 58.6062 29.4482 179.0836 19 E 3.8979 8.4566 119.5986 59.3916 29.7916 178.6769 20 V 3.5540 7.3559 118.4544 66.4966 31.5435 177.7411 21 D 4.2878 7.8836 117.8028 57.2851 40.6822 178.5752 22 A 4.1145 7.7674 120.7634 55.1568 18.2990 179.7608 23 I 3.6295 8.2359 118.6001 64.6384 37.1199 178.8662 24 V 3.6369 8.2074 117.5437 65.2229 31.5885 177.3677 25 E 4.1062 7.9629 119.2365 59.7316 29.7653 178.1767 26 M 4.0775 8.1195 118.6271 58.4768 31.8046 178.6460 27 I 3.7075 7.8827 119.3181 64.7519 37.3567 177.9773 28 E 4.1349 7.9404 118.0180 58.5062 29.3261 177.9470 29 S 4.4747 7.7252 111.6607 58.9293 65.1793 175.1791 *63 R 4.1704 7.5582 118.4127 55.6509 32.4684 176.1577 64 N 4.4564 8.6203 118.6760 56.1989 38.6480 177.9868 65 T 3.9257 7.7787 111.3029 64.7956 69.3462 176.5635 66 L 4.1292 7.8204 120.7310 56.1875 41.6449 179.0456 67 L 4.0107 7.5970 119.5145 57.5929 41.8298 178.5336 68 E 3.9186 7.9676 117.8608 59.9465 29.2216 179.3098 69 R 3.8563 7.6952 116.6816 59.5456 30.2114 177.8617 70 A 4.1008 7.8586 120.2442 55.3241 18.5785 179.4012 71 L 4.1169 8.5298 117.6680 57.8727 41.6567 178.9048 72 D 4.5511 8.3995 116.5889 55.9323 40.9371 176.4950 73 D 4.5290 8.1153 125.0262 54.3767 41.4651 175.5855 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 4.06 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.04 0.86 0.00 0.00 13 P 0.00 4.05 0.00 1.76 2.25 0.00 3.45 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.31 0.00 14 E 8.74 3.97 0.00 2.09 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 2.39 0.00 15 W 8.36 4.08 0.00 3.66 3.36 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 16 K 6.52 3.11 0.00 1.33 1.35 0.00 1.27 0.00 0.00 1.43 0.00 0.00 2.77 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.30 0.21 7.81 17 Q 7.39 3.92 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.50 0.00 18 E 8.72 4.21 0.00 2.20 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 2.37 0.00 19 E 8.46 3.90 0.00 2.25 1.90 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 2.35 2.38 0.00 20 V 7.36 3.55 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 0.94 0.00 0.00 0.88 0.00 0.00 21 D 7.88 4.29 0.00 2.89 2.69 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 22 A 7.77 4.11 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 3.63 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 1.42 0.94 0.91 0.00 0.00 24 V 8.21 3.64 2.10 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 0.78 0.00 0.00 0.97 0.00 0.00 25 E 7.96 4.11 0.00 2.34 2.11 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 2.30 2.34 0.00 26 M 8.12 4.08 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.59 0.00 27 I 7.88 3.71 2.05 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 0.91 0.00 0.00 28 E 7.94 4.13 0.00 2.17 2.01 0.00 0.00 0.00 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 2.43 0.00 29 S 7.73 4.47 0.00 3.98 3.95 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 0.00 0.00 0.00 *63 R 7.56 4.17 0.00 1.93 1.97 0.00 3.20 0.00 0.00 3.42 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.85 0.00 64 N 8.62 4.46 0.00 2.77 2.88 0.00 0.00 6.74 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 7.78 3.93 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 7.82 4.13 0.00 1.82 1.72 0.83 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.60 4.01 0.00 1.81 1.70 0.93 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 68 E 7.97 3.92 0.00 2.02 2.02 0.00 0.00 0.00 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 2.66 0.00 69 R 7.70 3.86 0.00 1.97 2.10 0.00 3.30 0.00 0.00 3.19 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 70 A 7.86 4.10 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 71 L 8.53 4.12 0.00 1.80 1.71 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.40 4.55 0.00 2.90 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.12 4.53 0.00 2.71 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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.