NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.1180 8.0249 121.4519 60.3104 38.4481 175.4136 4 P 4.3156 0.0000 0.0000 61.0541 31.9657 172.8401 5 E 4.0238 9.0573 123.5663 56.1739 30.9953 176.3923 6 A 3.1629 7.6455 126.1803 50.5265 18.9986 175.7500 7 P 4.0806 0.0000 0.0000 63.3451 32.1660 177.8116 8 R 4.3111 8.2607 123.3040 56.0599 29.0440 174.9318 9 D 4.6462 7.3604 116.4122 54.7347 42.4079 176.6239 *11 Q 3.9709 7.5611 119.0927 54.5373 30.2350 174.3942 12 A 4.5799 7.9039 121.1737 51.2911 20.5726 175.9505 13 Y 5.2127 8.5297 118.4686 56.2972 41.6663 175.1593 14 V 4.7882 9.1384 115.0714 59.7437 35.9618 174.3755 15 R 4.8521 8.5117 121.4992 54.7124 31.3648 175.5200 16 K 4.3463 8.8162 124.0374 56.3140 34.5628 175.7632 *19 E 4.0338 7.8321 115.2828 55.5559 30.5711 174.1665 20 W 5.2744 8.4148 119.5880 56.2295 30.2913 176.0959 21 V 4.8152 9.3647 123.9323 60.6982 34.9393 174.6496 22 L 3.9346 8.7462 126.7427 54.9104 42.1977 177.7845 23 L 4.1662 9.0612 126.7111 58.3268 42.5031 179.4621 24 S 4.2633 8.0128 112.8225 61.1740 63.3601 175.6086 25 T 4.5487 7.4133 112.8084 61.3376 67.6231 175.4447 26 F 4.2952 7.9947 121.9061 60.3323 39.8404 176.4781 27 L 4.2086 7.5132 124.3574 55.0782 41.3160 176.7610 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 8.02 4.12 1.93 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.00 0.86 0.00 0.00 4 P 0.00 4.32 0.00 2.29 2.05 0.00 3.68 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 5 E 9.06 4.02 0.00 1.91 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 6 A 7.65 3.16 0.14 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 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.08 0.00 1.84 1.91 0.00 2.20 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.86 0.00 8 R 8.26 4.31 0.00 1.76 1.88 0.00 3.13 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 9 D 7.36 4.65 0.00 2.77 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 *11 Q 7.56 3.97 0.00 2.01 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.79 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 12 A 7.90 4.58 1.18 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 13 Y 8.53 5.21 0.00 2.52 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 14 V 9.14 4.79 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.83 0.00 0.00 15 R 8.51 4.85 0.00 1.45 1.66 0.00 2.33 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 1.16 1.35 0.00 16 K 8.82 4.35 0.00 1.82 1.86 0.00 2.26 0.00 0.00 2.00 0.00 0.00 3.18 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.42 7.81 *19 E 7.83 4.03 0.00 2.25 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 0.00 2.47 2.42 0.00 20 W 8.41 5.27 0.00 3.09 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 21 V 9.36 4.82 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 1.10 0.00 0.00 1.12 0.00 0.00 22 L 8.75 3.93 0.00 1.58 1.44 0.88 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 23 L 9.06 4.17 0.00 1.71 1.73 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.01 4.26 0.00 4.02 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 7.41 4.55 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 26 F 7.99 4.30 0.00 3.29 3.19 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 0.00 0.00 0.00 0.00 27 L 7.51 4.21 0.00 1.72 1.61 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.