NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 G 4.0811 8.5798 107.8325 46.4239 0.0000 172.8068 12 T 4.3812 7.7420 112.5545 59.4936 70.6678 171.0375 13 E 4.6240 9.4949 127.1912 56.6002 31.4604 176.7544 14 C 5.2856 9.3690 119.5310 58.1846 33.4275 172.8412 15 I 4.9093 8.3635 120.5385 59.2962 40.2706 174.9987 16 A 4.5103 8.7607 129.3338 52.0595 18.6973 178.4694 17 K 4.0480 9.3577 123.7639 58.5628 32.8240 176.5114 18 Y 5.0124 7.5136 114.8283 56.1076 42.4259 174.6580 19 N 4.7612 8.8824 117.7463 53.2281 39.9872 174.9319 20 F 4.8389 8.5857 123.9574 56.8455 42.4777 172.9107 21 H 4.7270 8.3205 123.4556 53.5287 30.0645 175.2403 22 G 3.6989 8.4179 110.8216 46.9450 0.0000 172.9248 23 T 4.4924 9.2154 109.3518 61.5399 70.6191 174.0149 24 A 4.5782 7.6759 123.4234 50.3597 22.3333 176.0568 25 E 3.8647 8.9540 120.6561 59.6037 29.5438 178.2735 26 Q 4.2647 7.9310 114.0117 57.1069 29.4118 175.2595 27 D 5.1804 8.1999 119.4734 54.4996 41.9122 175.6797 28 L 4.7632 9.1298 124.1595 53.0448 43.1052 174.5594 29 P 4.9158 0.0000 0.0000 62.7746 32.7169 175.2057 30 F 4.8617 8.1496 115.3547 57.0382 41.6728 172.2500 31 C 5.4116 9.2013 116.4735 57.2877 31.3625 174.0445 32 K 4.1629 9.5418 123.2674 58.5104 32.1621 176.5487 33 G 4.0969 9.2160 114.5650 45.3694 0.0000 173.7301 34 D 4.5444 8.1573 119.3491 54.9151 42.2000 175.8480 35 V 4.6854 8.2750 121.1297 61.3246 33.2604 174.7167 36 L 4.9923 8.8266 126.9441 53.0649 45.9749 175.2103 37 T 4.8803 8.3665 114.8300 60.1154 70.3692 173.0210 38 I 4.1446 8.6458 131.0234 61.7430 37.3404 176.9668 39 V 4.1772 8.6320 127.5170 62.6547 32.7510 175.7238 40 A 4.5689 7.6127 120.8070 51.2570 22.2416 175.3475 41 V 4.8019 8.4763 119.0139 60.6049 33.9281 175.0688 42 T 4.8595 8.3111 112.0977 59.4846 71.2079 174.0140 43 K 4.0600 8.8768 119.5875 58.9062 33.0732 176.2574 44 D 4.9446 8.0394 120.2709 51.5898 42.4683 175.1896 45 P 4.4211 0.0000 0.0000 64.9381 31.6339 176.7041 46 N 4.4089 8.4368 114.8246 53.0096 39.0034 174.3188 47 W 5.1075 7.7249 117.6536 54.9464 32.6873 174.1776 48 Y 5.2297 8.9853 119.8653 56.2781 42.4943 173.9172 49 K 5.0865 9.1662 121.9358 54.9887 34.5107 174.9429 50 A 5.2824 9.0014 128.0338 50.1803 23.5961 173.9406 51 K 4.9644 9.0145 118.7159 55.0905 36.1901 175.6027 52 N 4.9659 8.7163 124.0405 51.1932 40.1944 175.2433 53 K 3.8145 8.9997 117.6340 60.1926 32.0031 178.7742 54 V 3.7546 7.6238 114.7513 62.5568 31.4865 176.7186 55 G 3.9676 8.1930 109.4350 45.2757 0.0000 173.8875 56 R 4.2312 8.7658 120.8741 55.9318 30.8197 174.8900 57 E 5.2177 8.4169 122.0507 54.6600 33.8472 175.0073 58 G 4.0458 7.9221 107.1820 46.6473 0.0000 171.6972 59 I 5.1763 8.2876 121.1692 60.4561 38.7970 175.7163 60 I 4.9079 9.0423 118.7698 58.4939 41.4863 172.5318 61 P 3.5744 0.0000 0.0000 61.6522 31.6964 177.4502 62 A 3.6519 8.4252 127.0563 54.7042 18.1164 178.7475 63 N 4.4970 7.9606 112.0032 56.0802 39.0969 175.6614 64 Y 4.7360 8.0566 114.4939 58.6175 38.4592 174.9412 65 V 4.8411 7.5762 119.3471 59.7366 34.4786 174.7003 66 Q 4.4654 9.1440 125.5440 54.0450 30.7295 174.3788 67 K 4.1026 8.7451 131.1338 57.2078 32.8630 177.4416 *68 R 4.1160 8.2796 125.3552 56.4941 30.0704 171.5864 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 11 G 8.58 4.08 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 0.00 0.00 0.00 12 T 7.74 4.38 4.17 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 0.00 0.00 0.00 1.11 0.00 0.00 13 E 9.49 4.62 0.00 1.91 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 2.36 2.31 0.00 14 C 9.37 5.29 0.00 2.66 2.67 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 0.00 0.00 0.00 0.00 15 I 8.36 4.91 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.29 0.92 0.00 0.00 16 A 8.76 4.51 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 17 K 9.36 4.05 0.00 0.79 0.74 0.00 1.48 0.00 0.00 1.43 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.19 1.27 7.81 18 Y 7.51 5.01 0.00 2.55 2.65 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 0.00 0.00 0.00 0.00 19 N 8.88 4.76 0.00 2.68 2.73 0.00 0.00 6.58 7.45 0.00 0.00 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 F 8.59 4.84 0.00 2.43 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.32 4.73 0.00 2.85 3.06 0.00 5.97 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.42 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 T 9.22 4.49 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 24 A 7.68 4.58 1.24 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 0.00 0.00 0.00 25 E 8.95 3.86 0.00 1.90 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 0.00 2.29 2.39 0.00 26 Q 7.93 4.26 0.00 2.24 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.25 0.00 27 D 8.20 5.18 0.00 2.75 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 28 L 9.13 4.76 0.00 1.72 1.82 1.05 1.10 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 29 P 0.00 4.92 0.00 1.99 1.90 0.00 3.88 0.00 0.00 3.96 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 30 F 8.15 4.86 0.00 3.36 3.23 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 0.00 31 C 9.20 5.41 0.00 3.16 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.54 4.16 0.00 1.86 1.79 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.50 7.81 33 G 9.22 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.16 4.54 0.00 2.92 2.65 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 0.00 0.00 0.00 0.00 35 V 8.28 4.69 2.06 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 0.83 0.00 0.00 0.92 0.00 0.00 36 L 8.83 4.99 0.00 1.42 1.38 0.18 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.37 4.88 4.20 0.00 0.00 0.00 0.00 0.00 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 38 I 8.65 4.14 1.67 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.59 0.58 0.00 0.00 39 V 8.63 4.18 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 0.71 0.00 0.00 0.92 0.00 0.00 40 A 7.61 4.57 1.23 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 0.00 0.00 0.00 41 V 8.48 4.80 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.00 0.00 0.00 42 T 8.31 4.86 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 1.40 0.00 0.00 43 K 8.88 4.06 0.00 1.90 2.01 0.00 1.54 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.37 7.81 44 D 8.04 4.94 0.00 2.76 2.74 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 0.00 0.00 0.00 45 P 0.00 4.42 0.00 2.09 2.12 0.00 3.76 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 46 N 8.44 4.41 0.00 2.66 2.43 0.00 0.00 6.59 7.70 0.00 0.00 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 W 7.72 5.11 0.00 3.09 3.04 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 48 Y 8.99 5.23 0.00 2.86 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 49 K 9.17 5.09 0.00 1.88 1.83 0.00 1.61 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.42 7.81 50 A 9.00 5.28 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 51 K 9.01 4.96 0.00 1.78 1.58 0.00 1.62 0.00 0.00 1.89 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.37 7.81 52 N 8.72 4.97 0.00 2.91 3.00 0.00 0.00 6.88 6.32 0.00 0.00 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 K 9.00 3.81 0.00 1.76 1.94 0.00 1.66 0.00 0.00 1.77 0.00 0.00 3.47 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.52 7.81 54 V 7.62 3.75 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.95 0.00 0.00 55 G 8.19 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 0.00 0.00 0.00 56 R 8.77 4.23 0.00 1.85 1.97 0.00 3.08 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 57 E 8.42 5.22 0.00 1.87 1.82 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 2.38 2.30 0.00 58 G 7.92 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 0.00 0.00 0.00 59 I 8.29 5.18 2.05 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.67 1.10 0.00 0.00 60 I 9.04 4.91 1.86 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.74 1.17 0.00 0.00 61 P 0.00 3.57 0.00 1.35 0.83 0.00 2.87 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.65 0.00 62 A 8.43 3.65 0.49 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 0.00 0.00 0.00 0.00 0.00 63 N 7.96 4.50 0.00 2.90 2.97 0.00 0.00 6.95 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 64 Y 8.06 4.74 0.00 3.04 3.35 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 65 V 7.58 4.84 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 0.76 0.00 0.00 0.78 0.00 0.00 66 Q 9.14 4.47 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.01 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 67 K 8.75 4.10 0.00 1.77 1.71 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.40 1.48 7.81 *68 R 8.28 4.12 0.00 1.63 1.70 0.00 3.27 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.61 0.00 * Residues marked with a * may have inaccurate shift predictions.