NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2769 8.1127 120.8596 56.6350 32.2183 177.3522 2 M 3.8608 7.9450 116.9095 57.4912 32.1578 176.3142 3 K 4.1665 8.7238 122.0065 59.0490 32.8713 178.1335 4 Q 3.9668 8.0038 117.7389 58.9313 28.6679 178.3875 5 L 3.9649 8.0505 121.2987 58.2107 41.9815 178.7321 6 E 3.9800 8.5482 118.8989 59.6018 29.3570 179.1278 7 D 4.4443 8.1482 118.8848 57.2194 40.8134 178.7958 8 K 3.9413 7.8524 119.7167 59.3918 32.2285 179.1033 9 V 3.5362 8.1648 119.0534 66.0088 31.4753 177.6915 10 E 3.9500 8.3813 119.1569 59.0077 29.3808 178.4099 11 E 3.9249 8.3644 119.6214 59.3229 29.7102 178.4323 12 N 4.2668 8.3208 116.6767 56.2134 38.5325 177.1164 13 L 3.6599 7.9330 121.6043 58.0018 42.1911 178.7441 14 S 4.1884 8.0732 113.0594 61.6160 62.2304 176.4173 15 K 4.0110 8.1924 121.0249 59.4584 31.6840 179.6255 16 V 3.5760 7.9211 118.5887 66.1620 31.4560 177.6648 17 Y 4.4055 7.9971 116.6405 61.4436 37.6630 178.2266 18 H 4.1983 8.5633 119.1933 59.3447 29.9991 177.1429 19 N 4.3556 8.4957 118.5347 56.1452 38.3537 176.8867 20 E 3.9521 8.5324 121.0583 59.6100 29.7168 178.7921 21 N 4.4182 8.2602 116.3547 56.1417 38.5926 177.3931 22 E 3.9299 8.3013 120.2900 59.2032 29.4859 179.5053 23 V 3.5647 7.9907 118.1390 65.9579 31.6278 177.9280 24 A 3.9778 8.0180 120.5381 55.1290 18.1927 179.6197 25 R 3.7984 8.1514 117.2603 59.5026 30.3266 178.5578 26 L 3.9664 8.0338 120.2079 57.8863 42.0499 178.7460 27 K 3.9199 8.2432 119.7907 59.3952 31.8971 178.6473 28 K 3.9270 7.7986 118.8747 59.4370 32.1708 178.2146 29 L 4.0649 7.7410 119.7868 57.5757 42.0274 178.5460 30 V 3.9155 7.6047 116.7467 64.2545 32.2299 177.0861 31 G 4.0881 7.5615 104.5969 45.8816 0.0000 173.8553 32 E 4.1614 8.4907 114.0621 56.1703 30.9490 179.0328 *33 R 4.2136 8.2082 120.4061 56.5293 30.1652 175.1053 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 1.99 0.00 3.14 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 2 M 7.95 3.86 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.65 0.00 3 K 8.72 4.17 0.00 1.82 1.79 0.00 1.83 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.34 7.81 4 Q 8.00 3.97 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 5 L 8.05 3.96 0.00 1.87 1.80 0.91 0.88 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 6 E 8.55 3.98 0.00 2.20 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 2.54 0.00 7 D 8.15 4.44 0.00 2.90 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 7.85 3.94 0.00 1.83 1.93 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.43 7.81 9 V 8.16 3.54 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 0.91 0.00 0.00 0.94 0.00 0.00 10 E 8.38 3.95 0.00 2.19 1.92 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 2.32 2.37 0.00 11 E 8.36 3.92 0.00 2.19 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 2.30 2.38 0.00 12 N 8.32 4.27 0.00 2.90 2.81 0.00 0.00 6.69 6.54 0.00 0.00 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 L 7.93 3.66 0.00 1.63 1.77 0.14 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.07 4.19 0.00 3.97 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 15 K 8.19 4.01 0.00 1.98 1.84 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.62 7.81 16 V 7.92 3.58 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 1.06 0.00 0.00 0.96 0.00 0.00 17 Y 8.00 4.41 0.00 3.20 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.56 4.20 0.00 3.42 3.49 0.00 5.78 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 N 8.50 4.36 0.00 2.95 2.87 0.00 0.00 6.67 7.46 0.00 0.00 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 E 8.53 3.95 0.00 2.15 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 0.00 2.35 2.40 0.00 21 N 8.26 4.42 0.00 2.87 2.81 0.00 0.00 7.07 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 8.30 3.93 0.00 2.10 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 2.32 2.42 0.00 23 V 7.99 3.56 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 1.01 0.00 0.00 0.98 0.00 0.00 24 A 8.02 3.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 3.80 0.00 1.95 2.12 0.00 3.09 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 26 L 8.03 3.97 0.00 1.93 1.64 0.92 0.10 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 27 K 8.24 3.92 0.00 2.04 1.88 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.45 7.81 28 K 7.80 3.93 0.00 2.00 1.96 0.00 1.85 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.44 7.81 29 L 7.74 4.06 0.00 1.81 1.92 0.92 1.00 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 30 V 7.60 3.92 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 0.88 0.00 0.00 0.97 0.00 0.00 31 G 7.56 4.09 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 0.00 0.00 0.00 32 E 8.49 4.16 0.00 2.00 1.73 0.00 0.00 0.00 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 1.87 0.00 *33 R 8.21 4.21 0.00 1.57 1.77 0.00 3.20 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.