NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3178 8.1127 119.7063 56.3759 32.7299 177.3695 2 M 3.8480 7.9941 117.4616 57.5560 32.1896 176.3889 3 K 4.4348 8.0884 120.9280 58.7899 32.8736 177.6969 4 Q 3.9616 8.1624 119.5551 59.5566 28.8398 178.7329 5 I 3.7577 7.5256 120.0530 64.4330 37.0204 178.3390 6 E 4.0072 8.3857 119.5228 59.3921 29.2442 179.1589 7 D 4.3514 8.5277 119.5477 57.1720 40.8115 178.6780 8 K 3.9703 8.1292 120.2189 59.4323 32.1723 178.7976 9 L 3.9814 8.0862 119.3371 57.9101 41.4323 179.4408 10 E 3.9851 7.9914 118.6275 59.4090 29.4325 179.1800 11 E 3.9528 8.2722 118.6609 59.4171 29.5676 179.5614 12 I 3.7833 8.0175 120.1140 64.2423 37.1868 178.4705 13 L 4.0389 8.1085 119.9580 57.6925 41.4109 179.6024 14 S 4.0403 8.2645 115.3474 61.5673 62.7859 176.4176 15 K 3.7046 7.9799 122.0826 59.8558 31.7662 178.6763 16 L 3.9944 7.9062 118.6503 57.6026 41.4607 178.7108 17 Y 3.9329 8.0716 119.6320 61.1772 38.5514 177.9568 18 H 4.2972 8.1973 115.5266 58.9593 28.8847 177.5536 19 I 3.8288 7.7539 120.5087 64.4567 37.0639 177.4054 20 E 3.9722 8.0732 118.8329 59.7088 29.4749 178.0895 21 N 4.4005 7.5947 112.7439 53.8619 39.1085 175.8466 *23 A 4.4299 7.6925 124.0037 52.2917 20.7133 179.4472 24 R 4.0042 7.8474 114.5558 59.1471 30.0395 179.1850 25 I 3.8072 7.6761 112.6517 63.7486 37.9119 178.1052 26 K 3.8863 8.0557 119.8052 59.1201 31.3637 178.9929 27 K 3.9154 8.1195 119.7809 59.2666 31.9432 178.4037 28 L 3.9608 7.7397 119.3992 58.2297 42.1409 178.3944 29 L 4.4637 7.9827 115.0630 53.2757 43.1010 176.4299 30 G 3.9181 7.5864 108.5776 45.8571 0.0000 173.8310 31 E 4.2276 8.6664 122.3076 56.9116 30.5876 175.6450 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 1 R 8.11 4.32 0.00 1.89 2.05 0.00 3.09 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 2 M 7.99 3.85 0.00 2.21 2.04 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.71 0.00 3 K 8.09 4.43 0.00 1.83 1.78 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.29 7.81 4 Q 8.16 3.96 0.00 2.12 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 5 I 7.53 3.76 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 0.56 0.91 0.00 0.00 6 E 8.39 4.01 0.00 2.16 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 2.55 0.00 7 D 8.53 4.35 0.00 2.82 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.13 3.97 0.00 2.04 1.95 0.00 1.53 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.52 7.81 9 L 8.09 3.98 0.00 1.90 1.70 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 10 E 7.99 3.99 0.00 2.07 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 2.55 2.48 0.00 11 E 8.27 3.95 0.00 2.15 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 2.33 2.48 0.00 12 I 8.02 3.78 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 1.26 0.91 0.00 0.00 13 L 8.11 4.04 0.00 1.80 1.73 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.26 4.04 0.00 3.94 3.84 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 0.00 0.00 0.00 15 K 7.98 3.70 0.00 1.97 1.98 0.00 1.55 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.55 7.81 16 L 7.91 3.99 0.00 1.95 1.71 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.07 3.93 0.00 3.21 3.15 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 0.00 0.00 0.00 0.00 18 H 8.20 4.30 0.00 3.31 3.37 0.00 5.74 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.75 3.83 1.98 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 1.42 0.71 0.90 0.00 0.00 20 E 8.07 3.97 0.00 2.07 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 21 N 7.59 4.40 0.00 2.45 2.68 0.00 0.00 7.09 7.44 0.00 0.00 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 A 7.69 4.43 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.85 4.00 0.00 1.83 1.99 0.00 3.29 0.00 0.00 3.39 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 25 I 7.68 3.81 1.86 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 1.63 0.69 0.90 0.00 0.00 26 K 8.06 3.89 0.00 1.97 1.91 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.50 7.81 27 K 8.12 3.92 0.00 1.94 2.00 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.44 7.81 28 L 7.74 3.96 0.00 1.78 1.86 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.98 4.46 0.00 1.65 1.68 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.59 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 0.00 0.00 0.00 31 E 8.67 4.23 0.00 1.90 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 * Residues marked with a * may have inaccurate shift predictions.