NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 F 4.5802 8.3249 119.0070 56.6003 39.0425 173.2242 2 V 3.6530 7.5728 117.2879 60.3875 32.2280 175.5154 3 N 4.6848 8.4057 123.5691 52.5944 40.7997 173.0145 4 Q 4.7434 8.0749 115.8730 54.1818 31.6749 174.4460 5 H 4.0647 8.9497 114.3410 56.6137 29.0312 174.9625 6 L 4.7915 8.4127 122.2621 53.1728 44.7089 175.6539 7 C 5.0041 8.2075 119.6980 58.3399 33.3600 176.0903 8 G 3.8095 8.2325 110.1464 47.4107 0.0000 177.5280 9 S 4.1165 8.5062 118.5509 60.9617 62.9805 175.6969 10 H 4.1219 7.9412 119.5943 58.6339 28.2027 177.0792 11 L 3.8716 7.6526 121.7095 58.4159 41.9218 179.4635 12 V 3.3664 7.4208 111.4868 63.7716 31.0522 178.1909 13 E 3.9723 8.2737 118.5166 59.5683 29.2617 179.3319 14 A 3.9693 7.9554 120.5796 54.9669 18.3525 179.7262 15 L 3.5372 7.1823 117.2191 57.7461 41.2204 178.8519 16 Y 4.2440 7.6624 119.4052 60.8788 38.5255 178.1583 17 L 3.6714 7.3250 118.9514 58.0729 42.2810 178.7993 18 V 3.6313 7.7125 117.2061 65.2785 31.6084 176.7708 19 C 4.5629 8.1197 115.7589 57.9819 30.0375 176.8135 20 G 3.6686 9.4199 108.7101 45.6571 0.0000 176.5605 21 E 4.0457 9.0601 122.7811 58.9575 29.3050 178.4015 22 R 3.9113 7.7539 118.1122 57.2813 30.2863 177.2336 23 G 3.9181 9.5454 103.6747 45.3141 0.0000 171.4754 24 F 4.7926 7.5140 111.5831 56.1996 39.8440 172.9022 25 F 4.9299 8.4536 115.7677 55.0687 39.9456 173.8360 26 Y 4.8895 9.0262 125.7519 56.4032 39.4691 175.3066 27 T 4.5330 8.0735 118.3953 58.6483 68.6266 171.6715 28 P 4.1802 0.0000 0.0000 66.0502 31.9082 179.5544 29 K 3.7834 8.0450 117.1767 59.6280 32.3719 176.5545 30 T 4.0209 7.3968 120.4620 64.0687 68.3682 173.5152 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 F 8.32 4.58 0.00 2.32 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 0.00 0.00 0.00 0.00 2 V 7.57 3.65 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 0.83 0.00 0.00 0.93 0.00 0.00 3 N 8.41 4.68 0.00 2.71 2.79 0.00 0.00 6.94 7.69 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 4 Q 8.07 4.74 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.80 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 5 H 8.95 4.06 0.00 3.10 3.33 0.00 5.66 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.41 4.79 0.00 1.57 1.53 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.21 5.00 0.00 2.97 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.23 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.51 4.12 0.00 3.94 4.04 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 10 H 7.94 4.12 0.00 3.36 3.36 0.00 5.63 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.65 3.87 0.00 1.74 1.76 0.93 1.68 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 12 V 7.42 3.37 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 0.08 0.00 0.00 0.85 0.00 0.00 13 E 8.27 3.97 0.00 2.24 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 2.29 2.55 0.00 14 A 7.96 3.97 1.33 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 15 L 7.18 3.54 0.00 0.88 0.13 0.56 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.66 4.24 0.00 3.29 3.01 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 0.00 0.00 0.00 17 L 7.33 3.67 0.00 1.94 1.71 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.71 3.63 2.12 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 0.80 0.00 0.00 0.87 0.00 0.00 19 C 8.12 4.56 0.00 3.11 3.10 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 0.00 0.00 0.00 20 G 9.42 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.06 4.05 0.00 2.10 2.13 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 2.26 2.35 0.00 22 R 7.75 3.91 0.00 1.84 2.07 0.00 3.16 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 23 G 9.55 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 24 F 7.51 4.79 0.00 2.87 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.45 4.93 0.00 3.17 3.06 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 26 Y 9.03 4.89 0.00 3.15 3.14 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 27 T 8.07 4.53 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 1.29 0.00 0.00 28 P 0.00 4.18 0.00 2.09 2.00 0.00 3.30 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.40 0.00 29 K 8.05 3.78 0.00 1.84 1.99 0.00 1.45 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.51 7.81 30 T 7.40 4.02 4.24 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 0.00 0.00 0.00 1.23 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.