NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2806 8.1127 120.8602 56.7217 32.5962 177.2503 2 M 3.9614 7.7617 116.5782 57.6214 32.3353 176.9051 3 K 4.0193 8.1841 119.5781 59.2556 32.9160 178.0159 4 Q 3.9646 7.9410 119.6908 58.8557 28.9859 177.9474 5 I 3.7583 7.4312 119.7304 64.2165 37.0828 177.8839 6 E 3.9229 8.2539 120.1821 59.2240 29.4400 178.4899 7 D 4.4155 8.3974 119.2300 57.5657 40.9207 179.0875 8 K 4.0313 7.9910 118.5709 59.3490 31.9059 179.2635 9 L 3.9660 8.1700 119.5417 57.8945 41.5461 179.2837 10 E 3.9485 7.8743 119.2152 58.9849 29.6232 178.3315 11 E 3.9045 8.0235 118.9351 59.3920 29.8155 178.5795 12 I 3.6672 7.8681 119.9070 64.6335 37.1846 178.1027 13 L 3.9332 8.1809 120.9822 58.1820 41.8703 178.8983 14 S 4.3158 8.2013 113.1077 61.3208 62.3064 176.3142 15 K 4.0353 8.1302 121.2575 59.3945 31.7420 179.2772 16 L 3.9811 7.7996 119.0726 58.1145 41.5413 179.2307 17 Y 4.1885 8.1949 116.7467 61.2422 37.7291 178.1804 18 H 4.2162 8.5699 119.3847 59.2622 30.1323 177.1714 19 I 3.6923 8.3955 122.0120 64.6793 36.8680 178.0449 20 E 4.0043 8.4130 119.2151 59.6522 29.3442 179.2993 21 N 4.3482 8.2201 116.4468 56.3036 38.4545 177.2942 22 E 3.9661 8.2382 119.9933 59.2530 29.2315 179.3892 23 L 4.0467 7.5325 117.6844 57.2819 41.9145 178.7183 24 A 4.1377 8.0181 120.0869 55.2725 18.3951 179.3241 25 R 4.0958 7.6996 115.1767 59.8379 30.3275 179.3535 26 G 3.6565 7.8080 106.4593 47.9716 0.0000 174.0751 *27 K 4.1418 7.9365 125.9191 54.7266 32.5174 179.4476 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 4.28 0.00 1.86 1.92 0.00 3.15 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 2 M 7.76 3.96 0.00 2.25 2.04 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.72 0.00 3 K 8.18 4.02 0.00 1.83 1.79 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.44 7.81 4 Q 7.94 3.96 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.70 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 5 I 7.43 3.76 2.01 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 1.41 0.53 0.91 0.00 0.00 6 E 8.25 3.92 0.00 2.13 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 0.00 2.31 2.36 0.00 7 D 8.40 4.42 0.00 2.95 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 7.99 4.03 0.00 2.04 1.86 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.63 7.81 9 L 8.17 3.97 0.00 1.89 1.74 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 10 E 7.87 3.95 0.00 2.27 1.95 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 2.33 2.34 0.00 11 E 8.02 3.90 0.00 2.09 2.11 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 2.32 2.37 0.00 12 I 7.87 3.67 2.13 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 1.41 0.95 0.90 0.00 0.00 13 L 8.18 3.93 0.00 1.92 1.93 0.71 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.20 4.32 0.00 4.16 4.01 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 15 K 8.13 4.04 0.00 2.13 1.86 0.00 1.78 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.53 7.81 16 L 7.80 3.98 0.00 1.70 1.57 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.19 4.19 0.00 3.13 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.57 4.22 0.00 3.31 3.57 0.00 5.80 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.40 3.69 2.01 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 1.55 0.93 0.91 0.00 0.00 20 E 8.41 4.00 0.00 2.21 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 2.50 2.50 0.00 21 N 8.22 4.35 0.00 2.85 2.85 0.00 0.00 7.01 7.67 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 22 E 8.24 3.97 0.00 2.15 1.97 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 2.28 2.16 0.00 23 L 7.53 4.05 0.00 1.78 1.71 0.91 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.02 4.14 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.70 4.10 0.00 1.97 2.02 0.00 3.34 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.81 0.00 26 G 7.81 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.94 4.14 0.00 1.54 1.64 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.