NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.4659 8.3349 116.7951 58.6622 63.4292 173.2007 7 L 4.1979 8.0991 126.3529 55.8766 42.1389 176.9349 8 Q 3.9383 8.8592 119.1530 59.3103 29.0258 178.3413 9 D 4.4946 8.1523 118.7345 57.4070 40.9873 177.3773 10 P 4.3808 0.0000 0.0000 65.2222 31.2052 178.6720 11 F 4.0288 8.1711 119.6083 61.2744 39.2871 177.3679 12 L 3.8122 8.2712 119.0832 57.6310 41.2932 179.0695 13 N 4.4859 8.5797 116.7130 56.3393 38.5107 177.1620 14 A 3.9364 7.8920 121.9748 55.2427 18.4823 179.7237 15 L 3.8004 7.3782 117.5331 57.7155 41.5839 179.7728 16 R 4.0072 8.2419 120.2820 58.9452 29.9296 178.1788 17 R 3.8850 8.1627 117.5020 59.6834 30.1596 177.5748 18 E 4.2030 8.1497 114.4244 55.7119 30.1052 176.4268 19 R 3.8026 7.8947 117.2766 57.0512 28.4080 176.7982 20 V 3.8989 7.5295 110.3979 60.4519 32.5556 175.5072 21 P 4.5896 0.0000 0.0000 62.8661 32.7200 175.8041 22 V 4.9165 9.2681 116.4230 59.7030 36.7201 174.3778 23 S 5.0678 9.1105 117.2633 56.9161 66.1973 173.5335 24 I 4.8514 8.8711 125.9811 59.8304 39.3892 174.2255 25 Y 4.6687 8.9541 125.9725 57.0216 39.6553 176.1645 26 L 4.8845 9.1283 124.7671 53.7271 43.7122 178.0695 27 V 3.8614 8.8993 113.2024 63.3866 31.4444 177.1289 28 N 4.6463 8.1716 116.1171 52.5605 37.7135 175.6258 29 G 4.1167 8.0796 108.4872 45.4298 0.0000 174.3448 30 I 3.9038 8.3886 121.8639 61.2535 38.1925 175.0052 31 K 4.3631 8.4625 127.8089 55.0080 33.3925 175.4174 32 L 4.8759 8.7130 126.8843 53.2164 44.9597 175.4171 33 Q 4.8504 9.1300 118.6976 53.8646 33.0374 176.5168 34 G 3.8490 6.9657 106.9872 46.1133 0.0000 170.9477 35 Q 4.9241 7.5469 118.7797 53.8633 32.3629 175.4572 36 I 4.0794 8.2394 123.4879 61.6178 37.5749 176.1983 37 E 4.2174 9.2917 130.1642 58.6142 30.4087 176.0491 38 S 4.7485 7.6084 111.6241 58.2732 66.0951 173.7939 39 F 5.0854 7.6750 112.7226 56.4594 38.5107 173.3278 40 D 4.6884 8.6091 121.3649 52.4945 41.1515 175.9138 41 Q 4.0258 8.7900 117.7496 58.5408 29.3787 177.6812 42 F 5.0156 8.0112 113.7703 57.4556 41.4112 174.9823 43 V 5.0720 8.7643 112.9399 59.7632 36.6951 174.2144 44 I 4.9906 8.7978 122.4861 59.6667 40.8841 174.7481 45 L 4.9044 9.2265 127.4359 53.5597 43.0601 175.1776 46 L 4.9894 8.8332 127.3670 53.3123 44.2331 174.9344 47 K 5.0777 8.6576 127.3892 53.9782 34.9752 173.3865 48 N 4.6586 8.3644 128.9198 53.5309 45.4353 175.5498 49 T 3.9953 9.1654 110.8760 65.9996 68.2737 173.8292 50 V 4.4933 7.3870 112.0491 59.1253 35.2327 174.4000 51 S 4.8534 8.4876 117.5939 58.1122 63.3558 173.9550 52 Q 4.6791 9.1142 123.5584 54.4679 31.5367 174.2556 53 M 4.6325 8.5415 121.6590 54.3758 33.4611 174.9353 54 V 4.3153 8.6143 127.4836 61.2226 33.8999 174.4704 55 Y 4.5754 8.4977 126.0292 57.3243 38.6762 176.7675 56 K 3.9967 9.2516 125.6684 59.6370 32.3773 178.9270 57 H 4.3027 8.3819 112.7944 57.5902 28.7129 175.6307 58 A 4.6336 8.2734 122.5134 51.8702 19.3871 175.8906 59 I 4.7545 7.6420 118.4113 60.3574 38.5314 175.5542 60 S 4.6416 9.0174 120.2790 60.2884 64.3958 174.3993 61 T 4.6601 7.7436 113.1755 60.2353 70.9808 172.3055 62 V 4.7939 8.4136 126.4894 61.2790 33.6103 174.7610 63 V 4.5906 9.2083 129.4776 60.3575 33.3251 173.2696 64 P 4.8719 0.0000 0.0000 62.7018 31.7050 176.8533 65 S 4.5252 8.7376 116.3741 60.6844 63.5374 174.2263 66 R 4.6492 7.7527 114.7834 53.8064 31.8830 172.7127 67 P 4.2459 0.0000 0.0000 63.2831 31.8093 176.1792 68 V 4.1156 8.0632 122.6247 61.7775 34.0359 176.0859 *69 S 4.2830 8.7369 122.3711 58.4050 62.8314 169.9395 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 6 S 8.33 4.47 0.00 3.89 3.95 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 7 L 8.10 4.20 0.00 1.70 1.66 0.88 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.86 3.94 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 9 D 8.15 4.49 0.00 2.83 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 10 P 0.00 4.38 0.00 2.21 2.13 0.00 3.83 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 2.15 2.18 0.00 11 F 8.17 4.03 0.00 3.13 3.15 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 12 L 8.27 3.81 0.00 0.65 0.71 0.25 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.58 4.49 0.00 2.93 2.95 0.00 0.00 6.91 6.89 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 14 A 7.89 3.94 1.26 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 0.00 0.00 15 L 7.38 3.80 0.00 1.69 1.61 0.50 0.46 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 16 R 8.24 4.01 0.00 2.09 2.12 0.00 3.40 0.00 0.00 3.30 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 17 R 8.16 3.89 0.00 1.81 2.22 0.00 3.30 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 18 E 8.15 4.20 0.00 1.99 1.94 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 2.45 2.44 0.00 19 R 7.89 3.80 0.00 1.91 1.98 0.00 3.15 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 20 V 7.53 3.90 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 0.58 0.00 0.00 0.88 0.00 0.00 21 P 0.00 4.59 0.00 2.06 1.96 0.00 3.52 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 2.10 2.11 0.00 22 V 9.27 4.92 2.21 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 0.96 0.00 0.00 1.00 0.00 0.00 23 S 9.11 5.07 0.00 3.81 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.87 4.85 1.85 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 1.26 0.68 0.94 0.00 0.00 25 Y 8.95 4.67 0.00 2.93 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 26 L 9.13 4.88 0.00 1.79 1.73 0.94 0.95 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 27 V 8.90 3.86 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 0.76 0.00 0.00 1.00 0.00 0.00 28 N 8.17 4.65 0.00 2.83 2.94 0.00 0.00 6.33 7.00 0.00 0.00 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 G 8.08 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.39 3.90 1.99 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.96 0.89 0.00 0.00 31 K 8.46 4.36 0.00 1.01 1.45 0.00 1.55 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.06 0.74 7.81 32 L 8.71 4.88 0.00 1.49 1.47 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 9.13 4.85 0.00 1.83 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.13 0.00 0.00 0.00 0.00 0.00 2.16 2.25 0.00 34 G 6.97 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 0.00 0.00 0.00 35 Q 7.55 4.92 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.94 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 36 I 8.24 4.08 1.89 0.00 0.00 0.80 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 1.14 1.04 0.00 0.00 37 E 9.29 4.22 0.00 1.97 2.17 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 2.30 2.25 0.00 38 S 7.61 4.75 0.00 3.77 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 F 7.68 5.09 0.00 3.22 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 40 D 8.61 4.69 0.00 2.85 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 41 Q 8.79 4.03 0.00 1.79 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.90 0.00 0.00 0.00 0.00 0.00 1.16 1.80 0.00 42 F 8.01 5.02 0.00 3.22 3.17 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 0.00 43 V 8.76 5.07 1.95 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 0.44 0.00 0.00 1.00 0.00 0.00 44 I 8.80 4.99 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.77 0.96 0.00 0.00 45 L 9.23 4.90 0.00 1.56 1.60 0.96 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.83 4.99 0.00 1.75 1.51 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.66 5.08 0.00 1.89 1.61 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.39 7.81 48 N 8.36 4.66 0.00 2.64 1.79 0.00 0.00 7.19 7.55 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 49 T 9.17 4.00 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 50 V 7.39 4.49 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 0.82 0.00 0.00 0.93 0.00 0.00 51 S 8.49 4.85 0.00 3.74 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.11 4.68 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.25 0.00 53 M 8.54 4.63 0.00 1.92 1.93 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.08 0.00 54 V 8.61 4.32 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 0.99 0.00 0.00 0.92 0.00 0.00 55 Y 8.50 4.58 0.00 2.93 2.46 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 0.00 0.00 0.00 0.00 56 K 9.25 4.00 0.00 1.98 1.92 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.49 1.44 7.81 57 H 8.38 4.30 0.00 3.29 3.56 0.00 5.52 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.27 4.63 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 59 I 7.64 4.75 2.05 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.85 0.98 0.00 0.00 60 S 9.02 4.64 0.00 3.86 4.02 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 61 T 7.74 4.66 4.21 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 1.23 0.00 0.00 62 V 8.41 4.79 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 1.02 0.00 0.00 0.99 0.00 0.00 63 V 9.21 4.59 2.29 0.00 0.00 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 0.00 0.00 1.08 0.00 0.00 64 P 0.00 4.87 0.00 2.31 1.96 0.00 3.98 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 2.03 1.97 0.00 65 S 8.74 4.53 0.00 3.92 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 66 R 7.75 4.65 0.00 1.89 1.89 0.00 3.05 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 67 P 0.00 4.25 0.00 2.05 2.06 0.00 3.62 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 68 V 8.06 4.12 1.95 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 0.68 0.00 0.00 0.88 0.00 0.00 *69 S 8.74 4.28 0.00 3.64 3.66 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 * Residues marked with a * may have inaccurate shift predictions.