NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2010 8.4449 121.4713 55.2954 31.5006 175.1461 2 I 4.0673 7.6468 118.7720 59.1721 38.2812 169.8976 3 V 3.9905 9.0648 127.9495 61.3719 32.4173 175.0631 4 K 4.3826 8.5368 128.0106 55.7110 32.7449 176.4995 5 T 4.7349 8.1438 112.8625 59.5298 72.0053 173.0857 6 K 4.3352 8.3144 123.0665 54.7627 33.4289 176.3910 7 R 3.9013 8.5183 124.2420 56.8950 30.4339 176.1599 8 F 3.8807 8.9764 127.3517 61.1634 39.5677 175.3914 9 A 4.3507 7.6981 125.8405 51.4857 17.0940 176.8770 10 I 3.8467 8.1492 122.7798 64.6781 37.6149 177.5888 11 K 4.3839 7.6889 117.9309 54.4423 33.0468 174.8144 12 P 5.3703 0.0000 0.0000 62.1862 32.1476 176.2690 *14 S 4.4155 8.1810 114.0257 58.1095 65.2757 174.5354 15 E 3.8902 8.6682 121.0353 59.7269 29.2391 179.2017 16 E 3.8270 8.0269 118.9743 59.1779 29.5465 178.7516 17 E 3.8230 8.1817 119.1141 58.9780 29.3995 178.7246 18 A 3.5734 7.4179 120.3269 54.8449 18.3206 179.4479 19 V 3.2682 7.1932 115.7436 65.6855 31.7067 177.7289 20 L 3.9420 7.5247 120.0382 57.9496 41.8993 180.2923 21 E 3.9280 7.8363 117.6042 56.4202 29.2928 178.9403 *23 E 4.2251 8.1858 120.1830 56.4855 31.5252 178.4403 24 L 3.9643 7.9810 117.6871 57.5108 41.6755 178.3157 25 L 4.1187 7.8873 116.7356 55.0408 41.9231 177.4671 26 G 3.7755 7.7395 106.2355 46.4452 0.0000 173.1941 27 H 4.7144 7.9693 115.3456 54.1297 30.8901 174.7703 28 N 4.8520 8.4188 116.9934 54.3145 39.3350 174.8551 29 F 5.6237 7.5018 111.1675 55.8583 41.3779 173.7651 30 F 4.7955 9.7755 122.5269 57.1407 42.7883 173.0723 31 V 4.8970 8.2101 126.7293 62.0154 32.6650 174.7110 32 F 4.8869 8.9644 121.3736 55.7287 42.1217 172.9326 33 Q 4.4322 8.6692 121.3133 54.8363 30.1846 174.1115 34 N 4.8100 8.9539 127.7551 53.4275 39.3767 176.0959 35 G 3.7578 9.0917 115.5774 47.5460 0.0000 173.6462 36 D 4.4977 9.0787 120.1265 56.0412 41.2124 176.8633 37 S 4.5742 7.9964 110.4431 57.1017 64.0072 174.0543 38 N 4.7177 8.4588 117.0334 54.3184 36.6775 173.3793 39 E 4.7961 7.2899 116.3282 54.1142 33.6086 175.5188 40 V 4.0674 8.1913 121.8950 63.1329 32.4223 174.7651 41 N 5.1990 8.7908 124.0517 51.4445 43.7080 173.3094 42 V 5.1108 8.5834 118.8481 61.7581 34.7883 174.6245 43 V 5.2692 9.2046 121.3460 60.5073 34.4631 174.3797 44 Y 5.4271 8.5652 119.8444 56.1833 41.8866 173.0217 45 K 4.8721 8.7350 122.0193 54.9843 33.7816 175.6065 46 R 4.7318 8.0337 124.1169 54.0708 32.1300 176.5061 47 K 4.2699 8.7275 122.0039 55.9806 29.3542 175.2056 48 D 4.3339 8.0810 119.5364 53.7826 45.5330 175.0555 49 G 3.9764 8.2265 105.7088 46.0759 0.0000 173.6671 50 N 4.5964 7.5853 116.1042 52.7076 40.6836 173.5534 51 Y 4.7128 8.3680 116.3665 56.3525 41.1881 175.8291 52 G 3.7205 8.3467 108.9473 44.1141 0.0000 171.9164 53 L 5.4060 8.3935 122.8033 53.1933 44.9299 175.4205 54 I 4.5773 9.4126 127.9597 60.0194 38.8900 174.7932 55 E 5.0490 8.6724 125.8026 53.6905 32.3538 174.6426 56 P 4.3681 0.0000 0.0000 65.6844 31.8015 176.0622 57 E 4.6833 7.5798 115.2713 55.1134 33.4017 173.9435 58 L 4.4547 8.2130 120.5624 53.9560 42.8901 177.1058 59 E 4.2085 8.6856 121.3832 56.6366 29.5750 176.2432 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 E 8.44 4.20 0.00 1.95 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 2.19 2.35 0.00 2 I 7.65 4.07 1.88 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 1.30 0.90 0.92 0.00 0.00 3 V 9.06 3.99 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 0.83 0.00 0.00 0.95 0.00 0.00 4 K 8.54 4.38 0.00 1.80 1.75 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.43 7.81 5 T 8.14 4.73 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 6 K 8.31 4.34 0.00 1.73 1.73 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.76 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.40 7.81 7 R 8.52 3.90 0.00 1.79 1.83 0.00 3.29 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 8 F 8.98 3.88 0.00 2.97 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.70 4.35 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 10 I 8.15 3.85 1.81 0.00 0.00 0.74 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 0.62 0.88 0.00 0.00 11 K 7.69 4.38 0.00 1.77 1.75 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.45 7.81 12 P 0.00 5.37 0.00 2.08 2.04 0.00 3.78 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 *14 S 8.18 4.42 0.00 4.10 4.06 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 15 E 8.67 3.89 0.00 2.30 2.49 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 0.00 2.43 2.43 0.00 16 E 8.03 3.83 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 17 E 8.18 3.82 0.00 1.99 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 2.21 2.25 0.00 18 A 7.42 3.57 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.19 3.27 1.83 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 -0.32 0.00 0.00 0.65 0.00 0.00 20 L 7.52 3.94 0.00 1.64 1.65 0.82 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 21 E 7.84 3.93 0.00 1.43 1.19 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 2.29 2.39 0.00 *23 E 8.19 4.23 0.00 2.05 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 2.34 2.26 0.00 24 L 7.98 3.96 0.00 1.49 1.66 0.84 0.90 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 25 L 7.89 4.12 0.00 1.60 1.67 0.93 0.78 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 26 G 7.74 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 0.00 0.00 0.00 27 H 7.97 4.71 0.00 3.09 3.22 0.00 5.69 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.42 4.85 0.00 2.96 3.04 0.00 0.00 6.32 8.13 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 29 F 7.50 5.62 0.00 3.22 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 30 F 9.78 4.80 0.00 3.02 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.21 4.90 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 0.86 0.00 0.00 1.13 0.00 0.00 32 F 8.96 4.89 0.00 3.26 3.02 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 0.00 0.00 0.00 33 Q 8.67 4.43 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.13 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 34 N 8.95 4.81 0.00 2.44 2.66 0.00 0.00 6.69 7.93 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 35 G 9.09 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.08 4.50 0.00 2.64 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 37 S 8.00 4.57 0.00 3.99 4.03 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.46 4.72 0.00 2.89 2.93 0.00 0.00 6.71 7.17 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 39 E 7.29 4.80 0.00 1.64 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.46 0.00 40 V 8.19 4.07 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 0.69 0.00 0.00 0.86 0.00 0.00 41 N 8.79 5.20 0.00 1.63 2.53 0.00 0.00 6.09 7.65 0.00 0.00 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 V 8.58 5.11 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 1.28 0.00 0.00 0.99 0.00 0.00 43 V 9.20 5.27 2.14 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 0.86 0.00 0.00 1.12 0.00 0.00 44 Y 8.57 5.43 0.00 3.37 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.73 4.87 0.00 1.98 1.86 0.00 2.06 0.00 0.00 1.79 0.00 0.00 2.67 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.32 1.09 7.81 46 R 8.03 4.73 0.00 1.92 2.25 0.00 2.89 0.00 0.00 3.05 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.59 0.00 47 K 8.73 4.27 0.00 1.79 1.83 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.39 7.81 48 D 8.08 4.33 0.00 2.54 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.23 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 50 N 7.59 4.60 0.00 2.58 2.71 0.00 0.00 6.95 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 8.37 4.71 0.00 2.76 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 52 G 8.35 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.39 5.41 0.00 1.68 1.60 1.21 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 54 I 9.41 4.58 1.98 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.14 0.94 0.00 0.00 55 E 8.67 5.05 0.00 1.88 1.81 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 2.22 2.31 0.00 56 P 0.00 4.37 0.00 2.16 2.16 0.00 3.76 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.97 0.00 57 E 7.58 4.68 0.00 1.93 1.85 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 2.22 2.32 0.00 58 L 8.21 4.45 0.00 1.64 1.60 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.69 4.21 0.00 1.94 1.86 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 2.28 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.