NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.7472 8.1400 116.1907 58.2648 64.9875 174.9839 9 D 4.3326 8.2490 118.9442 55.9723 41.2595 174.0837 10 E 4.4455 8.7575 119.0276 59.9521 31.0773 182.3500 11 D 4.5670 8.0103 118.9782 57.7337 40.9206 179.1085 12 S 4.1669 8.1931 115.4469 61.2292 62.8956 176.5126 13 L 3.9955 7.7163 122.9093 57.8139 41.9650 178.7135 14 K 3.9276 8.3457 119.6341 59.2492 32.0609 178.4508 15 A 3.9883 8.0747 121.1375 55.2743 18.3019 179.6197 16 V 3.5516 7.7642 116.4423 66.4304 31.5330 178.0997 17 R 3.9898 7.8470 117.3261 59.7335 29.8650 179.0018 18 L 4.1082 8.0237 118.3045 57.5821 41.6199 179.5860 19 I 3.7864 8.1321 120.3879 64.0186 37.0622 178.1808 20 K 4.0126 8.7711 120.8893 59.7577 31.8618 178.5327 21 F 4.2394 8.3807 119.5724 61.0505 39.5052 176.4224 22 L 4.0862 8.2936 120.2509 58.6135 41.7944 178.7233 23 Y 3.9266 8.1605 116.4836 61.0219 37.5902 178.2216 24 Q 4.2154 8.0412 117.3441 57.4978 29.0102 177.7467 25 S 4.1460 7.5250 114.5111 59.0558 64.6155 173.6151 26 N 5.0019 7.4062 120.6359 51.4681 38.3642 172.1182 27 P 4.6153 0.0000 0.0000 61.7220 32.7767 175.4951 28 P 3.7291 0.0000 0.0000 62.1519 31.8145 174.6683 29 P 4.4593 0.0000 0.0000 62.3520 32.0937 176.8952 30 N 4.3812 8.5396 118.0465 52.3310 37.7429 174.7041 31 P 4.4346 0.0000 0.0000 63.4582 31.9746 176.6360 32 E 4.3007 8.2696 116.0547 54.4727 30.8459 177.2741 33 G 3.8224 8.2259 107.4509 45.2922 0.0000 172.5537 34 T 3.9802 7.8922 116.3971 63.5790 69.8937 175.2250 35 R 4.0565 8.7174 126.4005 60.2071 30.1886 179.5566 36 Q 4.0896 8.0361 119.8286 59.6237 28.3412 180.8230 37 A 4.2229 7.8409 121.6751 55.3663 18.3962 179.8454 38 R 3.9526 8.6408 119.4861 59.9455 30.1056 180.1050 39 R 3.9609 7.6653 120.0082 61.3588 29.2654 181.0456 40 N 4.5247 8.1818 117.0456 56.3655 38.5865 177.6802 41 R 3.9460 8.0809 119.3728 59.4655 30.1298 179.1533 42 R 4.0546 8.4920 121.0986 59.9409 30.0131 179.5007 43 R 4.0002 8.0493 120.5035 61.5199 29.4796 181.4306 44 R 4.1319 8.2287 119.5550 58.8002 30.0017 178.8776 45 W 4.0158 8.6394 128.2468 60.5820 30.7057 177.7607 46 R 4.0766 8.7903 120.8263 60.2917 29.6104 179.2733 47 E 3.9455 8.0721 117.4271 61.3072 29.6963 181.3009 48 R 3.9437 7.9077 119.2822 59.0107 29.9988 178.9710 49 Q 3.4407 7.5454 119.5515 58.7509 28.7730 178.3009 50 R 3.8165 8.1108 120.0835 59.5639 30.1596 178.2436 51 Q 3.9247 7.8234 117.7801 59.1957 28.6853 179.4156 52 I 3.4437 7.3993 120.3265 64.5903 37.0275 178.1781 53 H 4.2114 8.1035 117.2333 58.8400 28.5291 177.5777 54 S 4.0774 8.3098 115.1797 61.6308 62.1719 176.3161 55 I 3.6621 7.7706 122.1771 64.4699 36.8644 178.5799 56 S 4.1259 8.1187 115.8799 61.6847 62.3928 176.3596 57 E 3.9379 8.4883 121.4753 59.7355 29.0707 179.3793 58 R 3.8968 7.7731 117.2386 59.7312 30.3665 178.2582 59 I 3.9548 8.0291 119.4891 63.9888 36.8999 178.0797 60 R 3.9605 8.5489 119.9807 59.6197 29.6979 178.7913 61 S 4.1083 8.0190 117.2487 62.3334 62.6772 177.2648 62 T 4.0529 7.9485 118.5723 65.7184 68.1767 177.0934 *63 Y 4.7269 7.1365 114.7650 56.6606 38.1252 180.0897 64 L 4.2821 7.8565 127.3929 56.2279 42.1107 176.1094 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 8 S 8.14 4.75 0.00 3.90 3.97 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 0.00 0.00 0.00 9 D 8.25 4.33 0.00 2.75 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 10 E 8.76 4.45 0.00 2.00 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 2.23 1.94 0.00 11 D 8.01 4.57 0.00 2.80 2.76 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 12 S 8.19 4.17 0.00 3.89 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 13 L 7.72 4.00 0.00 1.91 1.80 0.93 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.35 3.93 0.00 1.85 1.92 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.44 7.81 15 A 8.07 3.99 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 7.76 3.55 2.25 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 1.05 0.00 0.00 1.03 0.00 0.00 17 R 7.85 3.99 0.00 2.14 2.02 0.00 3.18 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.93 0.00 18 L 8.02 4.11 0.00 1.88 1.74 0.90 0.52 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 19 I 8.13 3.79 2.12 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.99 1.14 0.00 0.00 20 K 8.77 4.01 0.00 1.98 2.12 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.50 7.81 21 F 8.38 4.24 0.00 3.16 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.29 4.09 0.00 1.93 1.78 0.83 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 8.16 3.93 0.00 3.19 2.97 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 0.00 0.00 0.00 24 Q 8.04 4.22 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.95 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 25 S 7.53 4.15 0.00 3.88 3.85 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 0.00 0.00 0.00 26 N 7.41 5.00 0.00 2.37 2.65 0.00 0.00 7.17 8.07 0.00 0.00 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 P 0.00 4.62 0.00 2.27 2.08 0.00 3.97 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.01 0.00 28 P 0.00 3.73 0.00 1.88 1.58 0.00 3.69 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 1.94 1.98 0.00 29 P 0.00 4.46 0.00 1.99 1.99 0.00 3.31 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.12 0.00 30 N 8.54 4.38 0.00 2.74 2.63 0.00 0.00 6.76 7.75 0.00 0.00 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 P 0.00 4.43 0.00 1.99 2.07 0.00 3.60 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 32 E 8.27 4.30 0.00 2.06 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 2.23 2.29 0.00 33 G 8.23 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 0.00 0.00 0.00 34 T 7.89 3.98 4.31 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 1.24 0.00 0.00 35 R 8.72 4.06 0.00 1.87 1.92 0.00 3.17 0.00 0.00 3.37 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 36 Q 8.04 4.09 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.36 1.99 0.00 37 A 7.84 4.22 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 38 R 8.64 3.95 0.00 1.81 1.97 0.00 3.46 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.94 0.00 39 R 7.67 3.96 0.00 1.83 1.94 0.00 3.27 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 40 N 8.18 4.52 0.00 2.94 2.91 0.00 0.00 7.02 6.95 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 41 R 8.08 3.95 0.00 1.87 2.02 0.00 3.14 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 42 R 8.49 4.05 0.00 1.90 2.16 0.00 3.07 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 43 R 8.05 4.00 0.00 1.88 1.92 0.00 3.34 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 44 R 8.23 4.13 0.00 2.07 2.06 0.00 3.12 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 45 W 8.64 4.02 0.00 3.47 3.39 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 46 R 8.79 4.08 0.00 2.15 2.07 0.00 3.28 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.13 0.00 47 E 8.07 3.95 0.00 2.00 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 2.25 2.23 0.00 48 R 7.91 3.94 0.00 1.62 1.76 0.00 3.19 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.75 0.00 49 Q 7.55 3.44 0.00 0.93 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 50 R 8.11 3.82 0.00 1.91 2.03 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 51 Q 7.82 3.92 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 52 I 7.40 3.44 1.59 0.00 0.00 0.56 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 0.50 0.03 0.00 0.00 53 H 8.10 4.21 0.00 3.28 3.34 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 54 S 8.31 4.08 0.00 3.92 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 55 I 7.77 3.66 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.62 0.87 0.00 0.00 56 S 8.12 4.13 0.00 4.10 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 57 E 8.49 3.94 0.00 2.28 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 2.33 2.20 0.00 58 R 7.77 3.90 0.00 1.82 2.09 0.00 3.25 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 59 I 8.03 3.95 2.05 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 0.51 0.92 0.00 0.00 60 R 8.55 3.96 0.00 2.09 2.04 0.00 3.11 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 61 S 8.02 4.11 0.00 4.02 3.89 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 62 T 7.95 4.05 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 1.21 0.00 0.00 *63 Y 7.14 4.73 0.00 2.33 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.86 4.28 0.00 2.14 1.65 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.