NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4317 8.3193 115.4119 58.1613 65.0665 174.2990 3 E 4.1399 7.8467 117.3844 54.3027 30.7357 174.7351 4 S 4.2379 9.9668 118.0547 59.1035 64.4752 177.2463 5 L 4.0279 8.7111 123.7053 57.8168 41.6629 178.1129 6 L 4.5307 7.9207 116.2667 54.9410 42.0524 177.4541 7 Y 4.2342 8.4055 122.1802 61.0567 38.5780 178.6747 8 G 3.6218 8.2853 105.9366 47.8111 0.0000 174.6668 9 Y 3.9969 7.9637 121.3300 60.7200 38.8650 178.2465 10 F 4.3037 8.2819 120.0384 59.5500 38.9630 177.5713 11 L 3.6621 7.9677 120.5484 58.0728 41.8354 178.5134 12 D 4.2643 8.1316 118.3215 57.3712 40.6241 178.3824 13 S 4.5315 7.6728 115.9249 60.0870 63.0613 176.4102 14 W 4.0939 8.1043 132.4684 60.4942 30.4788 178.1009 15 L 3.5345 7.9446 119.1834 56.8660 40.7318 178.1289 16 D 4.7226 7.9162 117.3236 52.5959 39.4551 177.3357 17 G 2.8422 6.9213 107.5205 46.4570 0.0000 174.6911 18 T 4.1926 7.8915 111.0359 62.3518 69.9357 174.9403 19 A 4.5480 7.9756 124.9486 50.9394 19.7181 176.5766 20 S 4.7785 8.3625 116.3965 55.9816 65.7309 173.8369 21 E 4.2205 8.7832 120.6558 59.3207 29.8843 177.0585 22 E 4.2156 7.5399 120.6453 56.5398 27.2941 176.6455 *25 R 4.2101 7.9215 121.4607 55.8224 32.8721 178.4067 26 V 3.5267 7.8088 116.6382 65.9218 31.4497 177.8918 27 A 3.8122 7.7367 119.9913 55.0637 18.2173 179.6462 28 V 3.9972 7.4591 117.5045 65.7291 31.5120 177.5610 29 N 4.2725 8.1066 115.4600 56.6822 38.8546 176.3769 30 A 4.2079 8.1168 121.2266 53.1269 18.4931 178.4600 31 G 3.8846 7.7353 104.6648 45.9559 0.0000 174.2138 32 D 4.6808 8.0337 119.5400 55.3251 41.5990 176.5850 33 L 4.9893 7.3904 118.1749 52.2623 45.9490 175.7240 34 T 4.6355 8.6849 112.2257 60.8046 71.4525 175.8725 35 Q 3.9367 8.4470 121.9119 59.3612 28.9507 178.1659 36 E 3.9563 8.1170 119.1418 59.4708 29.4803 179.0783 37 E 4.0737 8.2569 118.3376 59.3629 29.3534 179.2127 38 A 3.8705 7.7783 119.7043 55.2317 18.4903 179.1228 39 D 4.3283 8.1624 116.7186 57.1700 40.9524 178.4867 40 K 4.1433 8.0962 119.3457 59.5667 32.5186 180.4038 41 I 3.6695 7.9294 119.3204 61.5087 36.9862 177.9072 *43 S 4.4519 8.0769 115.1780 58.0937 64.7680 173.5171 44 Y 4.3975 7.9233 118.8247 56.3213 38.6197 173.3580 45 P 4.5452 0.0000 0.0000 62.1116 31.9400 175.7878 46 W 3.0910 8.9618 133.8280 58.1439 30.8535 175.4373 47 G 2.9948 7.4581 112.5228 46.0060 0.0000 175.4935 48 A 3.9535 7.2563 124.9977 54.6693 18.4198 180.3064 49 W 4.9132 7.7592 114.9154 59.8945 29.3518 176.0990 50 N 4.5308 7.7122 119.4566 53.4814 37.8694 174.6918 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 2 S 8.32 4.43 0.00 3.97 4.05 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 0.00 0.00 0.00 0.00 3 E 7.85 4.14 0.00 2.16 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 2.25 2.37 0.00 4 S 9.97 4.24 0.00 4.07 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 5 L 8.71 4.03 0.00 1.66 1.76 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.92 4.53 0.00 1.98 1.66 0.93 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.41 4.23 0.00 3.26 3.08 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 0.00 0.00 0.00 0.00 8 G 8.29 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.96 4.00 0.00 2.89 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.28 4.30 0.00 3.06 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 11 L 7.97 3.66 0.00 1.09 1.45 -0.15 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.13 4.26 0.00 2.86 2.68 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 0.00 0.00 0.00 0.00 13 S 7.67 4.53 0.00 3.96 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 W 8.10 4.09 0.00 3.45 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 15 L 7.94 3.53 0.00 1.04 0.13 0.31 0.35 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 16 D 7.92 4.72 0.00 2.93 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 17 G 6.92 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.89 4.19 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 1.17 0.00 0.00 19 A 7.98 4.55 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.36 4.78 0.00 3.92 3.88 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 0.00 0.00 0.00 21 E 8.78 4.22 0.00 2.13 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 0.00 2.32 2.33 0.00 22 E 7.54 4.22 0.00 1.93 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 2.32 2.29 0.00 *25 R 7.92 4.21 0.00 2.13 1.98 0.00 3.18 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.78 0.00 26 V 7.81 3.53 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 1.11 0.00 0.00 1.02 0.00 0.00 27 A 7.74 3.81 0.59 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 28 V 7.46 4.00 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 1.41 0.00 0.00 0.85 0.00 0.00 29 N 8.11 4.27 0.00 2.84 2.95 0.00 0.00 7.27 7.73 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 30 A 8.12 4.21 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.74 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.03 4.68 0.00 2.78 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.39 4.99 0.00 1.53 1.47 0.65 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.68 4.64 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 35 Q 8.45 3.94 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.65 0.00 36 E 8.12 3.96 0.00 2.08 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 2.39 2.45 0.00 37 E 8.26 4.07 0.00 2.29 2.33 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 2.29 2.33 0.00 38 A 7.78 3.87 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 39 D 8.16 4.33 0.00 2.78 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 40 K 8.10 4.14 0.00 2.00 2.22 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.69 1.57 7.81 41 I 7.93 3.67 1.70 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.39 0.43 0.00 0.00 *43 S 8.08 4.45 0.00 3.96 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 44 Y 7.92 4.40 0.00 3.22 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.55 0.00 2.26 2.28 0.00 3.89 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 46 W 8.96 3.09 0.00 2.53 2.88 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 0.00 0.00 0.00 47 G 7.46 2.99 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 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.26 3.95 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 49 W 7.76 4.91 0.00 3.22 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.71 4.53 0.00 2.61 2.67 0.00 0.00 6.86 7.23 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 * Residues marked with a * may have inaccurate shift predictions.