NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 P 4.2752 0.0000 0.0000 62.8266 32.6280 174.3163 18 C 4.8041 8.0485 115.0222 54.5907 44.4752 172.4139 19 C 5.0385 9.6666 121.0543 55.8138 47.3926 175.6976 20 D 4.1720 9.3466 127.3584 55.8729 41.1935 176.3631 21 S 4.5448 7.8690 114.1633 56.8187 65.8811 173.4176 22 C 5.1637 8.7594 125.2010 54.6187 39.6761 172.9882 23 V 4.2852 8.3413 127.1607 61.6054 32.7221 173.9457 24 C 5.3877 8.5275 125.7419 58.0398 30.6940 174.0001 25 T 4.3342 8.9215 113.7633 60.3738 70.2018 175.9291 26 K 4.1830 8.5643 121.4644 57.5289 32.2069 176.7336 27 S 4.6832 7.7589 116.2222 57.6563 65.2211 173.1887 28 I 4.4298 7.9703 121.2024 59.2532 38.8037 173.8483 29 P 4.6805 0.0000 0.0000 60.6685 32.7501 174.1066 30 P 4.6174 0.0000 0.0000 62.8218 32.7828 175.2071 31 Q 4.8029 8.7754 120.1002 54.7397 31.5524 174.2388 32 C 5.4002 9.4260 123.4074 58.4654 31.7082 172.9300 33 H 4.9810 8.3764 114.5420 54.7423 31.8689 171.4816 34 C 5.2020 8.7961 121.0655 56.1775 44.2239 173.1975 35 T 4.2978 8.6304 115.5865 61.4341 69.3561 174.8656 36 N 4.2517 8.1756 119.6099 54.1523 39.1127 173.8781 37 I 4.7036 8.2488 121.8114 59.6190 39.5271 175.3347 38 R 4.7747 8.6162 124.1622 53.9725 33.1741 177.1255 39 L 4.0292 8.5967 120.3196 57.8457 41.7047 178.2649 40 N 4.9905 7.7657 110.0287 52.5468 40.7289 173.3719 41 S 4.4665 7.5971 113.1588 58.5737 66.6850 174.0806 42 C 4.8721 8.2579 118.9972 54.9706 40.9960 173.1532 43 H 4.4395 7.9824 116.4101 55.2338 28.9250 176.1540 44 S 4.1456 8.5709 113.3936 61.0275 62.2123 174.7086 45 G 3.8859 7.9062 106.6001 45.3969 0.0000 173.5954 46 C 4.6372 7.4974 119.9802 55.7539 43.9096 173.3317 47 K 3.9421 9.4058 129.5887 58.8594 32.1216 176.5752 48 S 4.5655 8.8204 117.0409 56.6753 64.5289 171.3696 49 C 5.2112 8.7476 127.6261 54.7064 45.9221 172.2474 50 L 4.7728 8.9210 128.7719 53.5624 43.8164 174.0920 51 C 5.4688 8.8532 123.4297 55.4668 39.4836 173.3799 52 T 4.6154 8.9782 122.0424 62.4319 71.4195 174.8399 *53 F 4.6116 8.8137 127.9544 56.1626 36.8571 172.9811 54 S 4.4862 8.1587 121.6997 59.0879 64.0001 175.4745 *57 G 3.8338 7.7138 106.3317 46.0648 0.0000 172.9441 58 S 4.5303 8.5527 120.4778 58.1811 66.6004 172.4051 59 C 5.4854 9.8091 124.2933 55.1256 42.4155 173.4137 60 R 5.0949 8.8600 122.1769 54.9585 33.8417 172.7475 61 C 4.9666 8.7502 125.4856 56.2180 43.9164 173.2431 62 L 4.1062 9.3017 126.4550 55.7247 42.0345 177.2840 63 D 4.3863 8.1657 118.5671 54.9235 41.2506 175.8613 64 I 4.5585 8.2456 123.0077 59.4951 39.4426 174.6768 65 A 4.6721 8.4862 126.8769 50.7408 22.1366 175.6179 66 N 4.9986 8.9009 113.5868 52.9285 38.8624 174.7012 67 F 4.8669 6.8397 112.2510 55.8707 41.0167 173.6754 68 C 4.8008 8.4374 117.2225 55.0549 42.5488 173.9245 69 Y 4.7478 8.1429 120.8820 57.4016 38.6362 175.6298 70 K 4.4338 8.7915 120.4104 55.9588 34.1645 174.6109 71 P 5.2821 0.0000 0.0000 63.0808 31.1418 177.1491 72 C 4.4257 9.2170 119.7365 59.2523 40.5896 174.1693 73 K 4.1678 8.1787 122.3061 56.8943 32.5131 176.3018 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 17 P 0.00 4.28 0.00 0.51 0.76 0.00 3.55 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.89 0.00 18 C 8.05 4.80 0.00 3.21 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 19 C 9.67 5.04 0.00 2.94 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 20 D 9.35 4.17 0.00 2.69 2.70 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 21 S 7.87 4.54 0.00 3.71 3.75 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 0.00 0.00 0.00 0.00 22 C 8.76 5.16 0.00 2.92 2.93 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 0.00 0.00 0.00 0.00 23 V 8.34 4.29 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 0.90 0.00 0.00 0.87 0.00 0.00 24 C 8.53 5.39 0.00 2.85 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.92 4.33 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 1.22 0.00 0.00 26 K 8.56 4.18 0.00 1.88 1.94 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.40 7.81 27 S 7.76 4.68 0.00 3.98 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 28 I 7.97 4.43 1.87 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 1.47 0.61 0.91 0.00 0.00 29 P 0.00 4.68 0.00 2.31 2.05 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 30 P 0.00 4.62 0.00 2.14 2.23 0.00 3.81 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.86 0.00 31 Q 8.78 4.80 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.43 0.00 32 C 9.43 5.40 0.00 2.73 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.38 4.98 0.00 3.16 3.31 0.00 5.25 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 C 8.80 5.20 0.00 3.05 3.10 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 35 T 8.63 4.30 4.26 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 1.22 0.00 0.00 36 N 8.18 4.25 0.00 2.77 2.85 0.00 0.00 6.81 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 37 I 8.25 4.70 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.87 0.91 0.00 0.00 38 R 8.62 4.77 0.00 2.08 1.79 0.00 3.28 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 39 L 8.60 4.03 0.00 1.63 1.73 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 40 N 7.77 4.99 0.00 2.64 2.75 0.00 0.00 6.72 7.57 0.00 0.00 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 S 7.60 4.47 0.00 3.80 3.73 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 0.00 0.00 0.00 42 C 8.26 4.87 0.00 2.86 2.85 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 43 H 7.98 4.44 0.00 3.22 3.43 0.00 5.46 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.57 4.15 0.00 3.82 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 45 G 7.91 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 0.00 0.00 0.00 46 C 7.50 4.64 0.00 2.72 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 47 K 9.41 3.94 0.00 1.76 2.19 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.42 7.81 48 S 8.82 4.57 0.00 3.96 3.69 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 C 8.75 5.21 0.00 2.98 2.93 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 0.00 0.00 0.00 0.00 50 L 8.92 4.77 0.00 1.71 1.49 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 51 C 8.85 5.47 0.00 2.86 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 52 T 8.98 4.62 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 *53 F 8.81 4.61 0.00 2.29 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 0.00 0.00 0.00 0.00 54 S 8.16 4.49 0.00 3.61 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.71 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.55 4.53 0.00 3.72 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.81 5.49 0.00 2.98 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 60 R 8.86 5.09 0.00 1.92 1.70 0.00 3.25 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.74 0.00 61 C 8.75 4.97 0.00 2.96 3.01 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 62 L 9.30 4.11 0.00 1.67 1.69 0.91 1.29 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 63 D 8.17 4.39 0.00 2.68 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.25 4.56 1.85 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 1.31 0.73 0.91 0.00 0.00 65 A 8.49 4.67 0.73 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 0.00 0.00 0.00 0.00 0.00 66 N 8.90 5.00 0.00 2.89 2.94 0.00 0.00 7.05 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 67 F 6.84 4.87 0.00 3.04 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 68 C 8.44 4.80 0.00 2.96 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 69 Y 8.14 4.75 0.00 2.89 2.86 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 0.00 0.00 0.00 70 K 8.79 4.43 0.00 1.88 2.00 0.00 1.55 0.00 0.00 1.91 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.59 1.49 7.81 71 P 0.00 5.28 0.00 2.10 2.12 0.00 3.40 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.87 0.00 72 C 9.22 4.43 0.00 3.29 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.18 4.17 0.00 1.86 1.78 0.00 1.61 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.72 1.43 7.81 * Residues marked with a * may have inaccurate shift predictions.