NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 L 4.2401 8.1844 120.6322 54.3054 43.8366 176.1251 9 H 4.4251 7.9630 116.7372 53.0511 31.4258 170.9985 10 A 3.9473 8.9049 131.7167 53.5278 19.5191 175.9904 *11 Y 4.6991 8.1809 121.0377 54.3317 39.3689 172.7138 12 F 4.5544 8.7714 127.4730 57.4440 40.1946 174.2093 13 K 3.9558 7.3172 124.1786 55.5193 34.9070 175.2565 14 L 4.2610 7.6419 120.1904 52.7804 42.9165 175.0806 15 P 4.3476 0.0000 0.0000 63.1493 31.6088 176.2883 16 N 4.9969 8.6540 117.0654 52.4213 38.2161 174.0782 17 T 4.7033 7.6067 107.6773 60.0600 71.9016 173.3182 18 V 4.4191 8.1804 121.6584 61.3116 34.4819 174.6498 19 S 4.7384 8.6174 122.2242 56.6047 65.7731 173.1847 20 L 4.6140 8.4225 124.2406 53.2929 42.7222 176.3970 21 V 4.5437 8.0376 115.5426 59.8081 35.8226 174.5625 22 A 4.5904 7.9559 122.5201 51.5599 21.8196 175.6323 23 G 4.3256 8.0524 107.7907 45.3345 0.0000 172.4096 24 S 4.6076 8.0734 113.6329 56.9124 66.1484 173.1746 25 S 4.4801 7.8271 112.7535 58.0914 64.4520 175.6848 26 E 4.4511 8.6219 124.8149 55.5851 30.6936 175.8391 27 G 4.1079 7.7816 105.4793 45.0239 0.0000 173.8681 28 E 4.1005 9.0341 121.4838 58.5748 29.9608 177.6684 29 T 4.7815 7.4387 107.3391 58.3219 73.4530 172.8792 30 P 4.2624 0.0000 0.0000 65.7892 31.2531 178.8075 31 L 4.0585 7.8835 118.6026 58.1932 41.9928 178.5933 32 N 4.3791 8.2886 116.2037 55.9919 38.4272 177.3415 33 A 4.1624 8.1569 122.5107 54.9630 18.5008 179.3857 34 F 4.0783 8.4468 119.2840 61.5068 39.5043 176.7700 35 D 4.3539 8.6218 118.0424 57.4374 41.0198 178.5318 36 G 3.5931 8.4307 106.1361 47.5155 0.0000 175.6496 37 A 3.9207 7.9238 123.0272 55.0407 18.3872 179.6805 38 L 3.7380 7.6004 117.5018 57.7879 41.6132 179.7826 39 L 3.9163 7.8932 118.8892 57.9028 41.3727 179.1809 40 N 4.3167 8.0960 115.4799 56.3069 38.9537 176.2372 41 A 4.6845 7.4114 122.3991 52.3769 18.7322 178.2334 42 G 3.9838 8.1168 105.6243 45.1087 0.0000 173.7172 43 I 4.5674 7.5812 112.6856 60.3144 37.7960 176.9073 44 G 3.7696 8.2168 110.2102 48.2206 0.0000 174.4179 45 N 5.0736 7.8807 117.3551 52.8740 39.4769 174.3287 46 V 4.4776 7.6558 108.6348 59.5930 35.9567 174.7658 47 A 4.6309 8.3854 124.1845 50.6303 20.1769 176.8278 48 L 4.3562 8.4380 123.4243 53.8056 42.8318 176.5763 49 I 4.2810 8.0286 123.9714 59.1122 37.7408 175.4132 50 R 4.0084 8.5634 126.7732 56.1219 30.4604 175.7920 51 I 4.5835 8.1892 118.5543 59.1796 40.0179 175.6174 52 S 4.2094 8.2807 115.2813 58.7108 63.0235 173.7336 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 8 L 8.18 4.24 0.00 1.68 1.83 0.93 0.68 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 9 H 7.96 4.43 0.00 3.14 3.17 0.00 5.75 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.90 3.95 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.18 4.70 0.00 2.32 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 0.00 0.00 0.00 0.00 12 F 8.77 4.55 0.00 2.91 3.04 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 0.00 0.00 0.00 13 K 7.32 3.96 0.00 1.65 1.52 0.00 1.54 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.32 7.81 14 L 7.64 4.26 0.00 1.50 1.56 0.73 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.35 0.00 2.02 1.97 0.00 3.59 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 16 N 8.65 5.00 0.00 2.73 2.81 0.00 0.00 5.86 7.71 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 17 T 7.61 4.70 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 18 V 8.18 4.42 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.93 0.00 0.00 19 S 8.62 4.74 0.00 3.84 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.42 4.61 0.00 1.62 1.59 0.92 0.86 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 21 V 8.04 4.54 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.91 0.00 0.00 22 A 7.96 4.59 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.05 4.33 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 0.00 24 S 8.07 4.61 0.00 3.87 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.83 4.48 0.00 3.77 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 26 E 8.62 4.45 0.00 2.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 27 G 7.78 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.03 4.10 0.00 1.98 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 2.32 2.25 0.00 29 T 7.44 4.78 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 30 P 0.00 4.26 0.00 2.17 2.15 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 31 L 7.88 4.06 0.00 1.76 1.69 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.29 4.38 0.00 2.96 2.87 0.00 0.00 6.86 7.15 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 33 A 8.16 4.16 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 F 8.45 4.08 0.00 3.21 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.62 4.35 0.00 3.00 2.85 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 0.00 0.00 0.00 36 G 8.43 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.92 3.92 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 38 L 7.60 3.74 0.00 1.65 1.58 -0.24 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.89 3.92 0.00 1.90 1.68 0.90 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.10 4.32 0.00 2.77 2.96 0.00 0.00 7.27 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.41 4.68 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.12 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 43 I 7.58 4.57 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.70 0.89 0.00 0.00 44 G 8.22 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 45 N 7.88 5.07 0.00 2.67 2.79 0.00 0.00 6.71 7.68 0.00 0.00 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 V 7.66 4.48 2.09 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 0.72 0.00 0.00 0.97 0.00 0.00 47 A 8.39 4.63 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.44 4.36 0.00 1.72 1.66 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.03 4.28 1.89 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 1.32 0.60 0.93 0.00 0.00 50 R 8.56 4.01 0.00 1.80 1.86 0.00 3.22 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 51 I 8.19 4.58 1.88 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 1.49 0.82 0.98 0.00 0.00 52 S 8.28 4.21 0.00 3.94 3.80 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 * Residues marked with a * may have inaccurate shift predictions.