NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 L 4.1942 8.0433 120.5212 54.7662 43.3004 175.6252 13 Y 4.8653 8.4120 120.4291 54.9859 42.0401 173.1349 14 C 4.6544 10.0284 124.6585 59.3016 32.6245 174.3795 15 S 4.4450 9.4589 123.6310 60.1593 62.4891 174.8177 16 F 4.6518 8.4730 118.7040 57.9199 40.9913 175.7687 17 C 4.7739 7.9204 111.5729 56.7429 30.5781 175.9820 18 G 4.1322 8.9191 108.9374 46.0992 0.0000 174.5759 19 K 4.3690 7.6165 119.2376 57.1111 33.4273 176.9354 20 S 4.4896 8.8914 118.2042 57.1054 64.6746 174.4784 21 Q 3.7930 8.2392 124.1374 60.2800 28.2733 178.4962 *22 H 4.4462 7.8477 114.9058 56.8642 28.3955 180.4467 23 E 3.9113 7.8694 117.4823 57.9258 29.3703 176.6970 24 V 4.5233 7.0010 113.1544 59.6438 35.4015 176.9456 25 R 4.0876 8.7966 118.9721 58.8584 29.7873 176.1876 26 K 4.7769 9.5181 120.3915 54.2881 36.3597 174.6233 27 L 4.9443 8.3531 126.0057 53.4512 44.5062 175.7402 28 I 4.4108 8.8800 127.5208 60.5151 39.1798 174.6493 29 A 4.6858 8.6376 127.0472 50.8210 20.1210 176.9493 30 G 4.1585 8.0963 112.2957 42.8079 0.0000 171.7794 31 P 4.1817 0.0000 0.0000 66.1500 31.3366 176.9397 *32 S 4.5869 7.1579 115.4355 58.3738 68.6465 181.6734 33 V 4.1621 7.0667 112.7290 61.3096 33.9865 174.6757 34 Y 5.3087 8.8771 118.0953 57.0987 42.2359 174.6451 35 I 4.8437 8.5759 125.3061 59.5321 40.1966 175.7113 36 C 5.3646 8.8635 121.6209 56.1368 31.4549 174.1248 37 D 4.3538 8.6513 119.9753 56.7427 38.6079 178.4878 38 E 3.9307 8.1168 119.3001 59.5865 29.3776 179.1432 39 C 4.2067 7.9398 114.3939 62.3937 28.2214 175.9502 40 V 3.6310 7.2673 119.1774 65.8673 31.4111 177.3651 41 D 4.5478 8.1790 118.7495 57.2073 40.5533 179.4376 42 L 3.7637 7.7223 117.6730 55.7218 41.9597 178.0164 *44 N 4.5994 8.0955 117.0085 53.2766 40.9091 176.0785 45 D 4.3684 8.0365 117.8470 57.4129 40.6020 178.6953 46 I 3.6999 7.7853 119.3910 64.6505 37.2088 178.2827 47 I 4.0016 7.7278 121.1584 64.8186 37.2692 178.4995 48 R 4.1634 8.3630 118.7752 57.9715 29.9573 177.7332 49 E 4.0227 8.0813 118.8602 58.9272 27.7564 174.7733 50 E 4.8246 7.8560 110.6739 54.2945 34.3589 177.6611 51 I 4.1558 8.2259 118.0720 62.1679 37.6134 175.9318 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 L 8.04 4.19 0.00 1.25 1.07 0.67 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 8.41 4.87 0.00 2.97 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 C 10.03 4.65 0.00 3.01 2.95 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 15 S 9.46 4.45 0.00 4.05 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.47 4.65 0.00 2.94 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 C 7.92 4.77 0.00 3.11 3.18 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 18 G 8.92 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.62 4.37 0.00 1.79 1.79 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.46 7.81 20 S 8.89 4.49 0.00 3.40 3.78 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 0.00 0.00 0.00 21 Q 8.24 3.79 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.98 0.00 0.00 0.00 0.00 0.00 2.38 2.22 0.00 *22 H 7.85 4.45 0.00 3.01 3.04 0.00 7.26 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 7.87 3.91 0.00 1.94 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 2.34 2.27 0.00 24 V 7.00 4.52 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.99 0.00 0.00 25 R 8.80 4.09 0.00 1.83 1.84 0.00 3.21 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.18 0.00 26 K 9.52 4.78 0.00 1.65 1.59 0.00 1.54 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.36 7.81 27 L 8.35 4.94 0.00 1.57 1.46 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 28 I 8.88 4.41 2.00 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 1.17 1.21 0.92 0.00 0.00 29 A 8.64 4.69 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.10 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.18 0.00 2.02 2.14 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 *32 S 7.16 4.59 0.00 3.56 3.69 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 33 V 7.07 4.16 2.22 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 0.75 0.00 0.00 1.03 0.00 0.00 34 Y 8.88 5.31 0.00 3.18 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 8.58 4.84 1.77 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.51 0.49 0.00 0.00 36 C 8.86 5.36 0.00 3.23 3.09 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 0.00 0.00 0.00 37 D 8.65 4.35 0.00 2.87 2.97 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 0.00 38 E 8.12 3.93 0.00 2.04 2.05 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 0.00 2.40 2.41 0.00 39 C 7.94 4.21 0.00 2.80 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 7.27 3.63 2.17 0.00 0.00 0.00 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 0.91 0.00 0.00 41 D 8.18 4.55 0.00 2.90 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 42 L 7.72 3.76 0.00 1.77 1.79 0.93 0.35 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 *44 N 8.10 4.60 0.00 2.90 3.05 0.00 0.00 7.10 8.49 0.00 0.00 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 D 8.04 4.37 0.00 2.91 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.79 3.70 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.70 0.93 0.00 0.00 47 I 7.73 4.00 1.87 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 1.50 0.47 0.91 0.00 0.00 48 R 8.36 4.16 0.00 1.87 1.83 0.00 3.42 0.00 0.00 3.22 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 49 E 8.08 4.02 0.00 2.09 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 2.36 2.23 0.00 50 E 7.86 4.82 0.00 1.92 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.87 0.00 51 I 8.23 4.16 1.87 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 1.28 1.07 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.