NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8299 8.3501 109.7312 45.4419 0.0000 173.2740 3 A 4.2899 7.5891 120.7470 51.2867 20.3384 176.4496 4 Q 4.5354 9.1116 120.9537 53.9780 32.1065 173.1311 5 V 4.2920 8.2928 123.7017 61.5104 33.4284 174.5550 6 S 4.9595 7.6193 124.9168 57.0110 66.7273 172.2015 7 T 5.0848 8.3115 115.9937 62.5046 70.6824 174.7454 8 Q 4.4534 9.0006 125.0149 55.4527 30.0355 176.0187 9 K 4.2876 8.6196 121.2133 56.9039 31.9557 176.9052 10 T 4.2122 8.6761 115.3099 62.8139 70.4554 173.3213 11 G 3.7514 7.8492 105.1892 44.0740 0.0000 172.6241 12 A 4.4816 8.6402 119.7158 53.8824 20.5734 177.6190 13 H 4.6078 8.1386 111.9262 55.4246 29.7664 174.4252 14 E 5.1558 7.3493 118.0821 56.1100 32.4832 175.5636 *25 I 3.8780 7.3578 126.0170 61.0349 39.0293 174.2779 26 H 5.4092 8.5870 122.5375 54.4217 30.5117 172.4044 27 Y 4.4699 7.3529 117.2077 54.1388 39.7438 175.6440 28 T 3.7472 7.6642 117.0705 62.3626 69.0401 171.0588 29 N 5.1153 9.3449 124.3575 51.8543 42.3733 173.0615 30 I 4.6392 7.8153 123.5802 59.4156 40.8091 174.6027 31 N 4.3766 8.3783 122.0640 52.6689 39.3472 174.6882 32 Y 4.5015 8.1007 118.7523 57.8552 39.3050 175.0176 33 Y 4.8614 7.4180 117.8065 55.8686 40.5583 176.6899 34 K 4.2092 8.7871 121.0412 57.9342 32.7166 176.7616 35 D 4.9679 7.6760 119.3346 51.9257 43.1988 177.1820 36 A 4.0589 8.7001 126.3621 55.0096 18.6513 179.2975 37 A 4.0824 7.9345 117.5917 55.0062 18.5441 178.6085 38 S 4.2596 8.1611 111.1622 60.1761 63.1934 174.6651 39 N 4.5912 7.8251 118.2106 52.5755 38.7690 174.9144 40 S 4.3477 8.3222 115.2061 57.7223 63.9660 173.5824 41 A 4.2094 8.2097 122.8890 52.4978 18.7751 177.9083 42 N 4.7165 8.2304 118.4877 52.3303 37.0750 176.4880 43 R 4.0569 7.7104 115.3779 57.3455 31.0532 177.5478 44 Q 3.7281 7.2737 116.1220 55.2022 28.8936 175.1016 45 D 4.3387 7.5798 118.5850 53.5162 40.4515 175.8235 46 F 5.2505 7.9644 126.9279 57.3775 39.7112 176.7163 47 T 4.0634 7.7259 116.6093 64.1610 68.7841 174.3212 48 Q 4.4647 8.2108 124.0237 55.6451 31.4155 174.0252 49 D 4.6658 8.3766 124.7185 52.0059 41.9711 173.3261 50 P 4.2394 0.0000 0.0000 64.8383 32.3067 179.3265 51 G 3.9849 8.0795 107.1299 48.6408 0.0000 175.4905 52 K 3.6116 7.1792 118.4912 58.8591 32.0049 177.8758 53 F 4.7804 7.5803 115.6782 58.6911 40.0379 177.3067 54 T 4.2553 7.9174 109.3908 63.5703 70.1570 174.8678 55 E 4.7200 8.0526 121.6013 54.6655 30.2959 174.1246 56 P 4.5598 0.0000 0.0000 63.1508 31.8753 177.6177 57 V 3.6780 7.3383 113.5521 61.4651 31.8124 177.1627 58 K 3.9655 8.8250 126.0886 58.9084 32.7910 176.9672 59 D 4.7322 7.2591 116.2130 54.5655 39.2165 177.7348 60 I 2.7537 8.0196 109.7617 58.2863 40.2824 172.7995 61 M 3.0701 8.0081 132.8028 54.6190 28.7793 176.4451 62 V 3.9536 7.7418 122.4119 61.7739 33.2137 176.2310 63 K 4.0815 8.6767 127.7102 59.7427 32.2397 178.9193 64 S 4.4066 7.9823 109.9568 59.7747 63.1851 173.7223 65 M 4.3681 7.1531 119.7648 53.3126 33.2177 174.4454 66 P 4.3275 0.0000 0.0000 62.2470 30.8740 176.1420 67 A 4.0180 8.6818 127.4375 54.5381 18.1957 177.3190 68 L 4.5499 7.5653 116.4917 52.7181 42.6927 176.0914 69 N 4.4839 8.6475 121.3170 53.7289 38.9073 174.6395 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 G 8.35 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 3 A 7.59 4.29 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 9.11 4.54 0.00 1.92 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.71 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 5 V 8.29 4.29 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 0.69 0.00 0.00 0.86 0.00 0.00 6 S 7.62 4.96 0.00 2.76 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.31 5.08 4.29 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 0.00 0.00 0.00 1.25 0.00 0.00 8 Q 9.00 4.45 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.86 0.00 0.00 0.00 0.00 0.00 2.45 2.57 0.00 9 K 8.62 4.29 0.00 1.68 1.79 0.00 1.77 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.44 7.81 10 T 8.68 4.21 4.25 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 1.29 0.00 0.00 11 G 7.85 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 0.00 0.00 0.00 12 A 8.64 4.48 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.14 4.61 0.00 3.08 3.30 0.00 6.02 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 7.35 5.16 0.00 2.06 1.85 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 2.06 2.00 0.00 *25 I 7.36 3.88 1.88 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 1.45 1.39 0.96 0.00 0.00 26 H 8.59 5.41 0.00 3.16 3.23 0.00 5.92 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.35 4.47 0.00 3.06 2.83 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 28 T 7.66 3.75 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 1.23 0.00 0.00 29 N 9.34 5.12 0.00 2.80 2.57 0.00 0.00 6.51 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.82 4.64 1.59 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 1.34 0.74 0.72 0.00 0.00 31 N 8.38 4.38 0.00 2.59 2.68 0.00 0.00 6.93 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 32 Y 8.10 4.50 0.00 2.20 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 33 Y 7.42 4.86 0.00 3.03 2.87 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 34 K 8.79 4.21 0.00 1.80 1.90 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.53 7.81 35 D 7.68 4.97 0.00 2.84 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.70 4.06 1.31 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 0.00 0.00 0.00 37 A 7.93 4.08 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.16 4.26 0.00 4.00 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 39 N 7.83 4.59 0.00 2.81 2.77 0.00 0.00 6.97 7.16 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 40 S 8.32 4.35 0.00 4.00 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 41 A 8.21 4.21 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 42 N 8.23 4.72 0.00 2.73 2.73 0.00 0.00 6.87 7.66 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 43 R 7.71 4.06 0.00 1.81 2.00 0.00 3.17 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 44 Q 7.27 3.73 0.00 1.78 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.94 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 45 D 7.58 4.34 0.00 2.52 2.51 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 46 F 7.96 5.25 0.00 3.09 2.92 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 47 T 7.73 4.06 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 1.23 0.00 0.00 48 Q 8.21 4.46 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.14 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 49 D 8.38 4.67 0.00 2.71 2.43 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 50 P 0.00 4.24 0.00 2.26 2.17 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 51 G 8.08 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.18 3.61 0.00 0.79 1.38 0.00 1.31 0.00 0.00 1.48 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.16 1.06 7.81 53 F 7.58 4.78 0.00 3.01 3.05 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 54 T 7.92 4.26 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 1.30 0.00 0.00 55 E 8.05 4.72 0.00 2.00 1.85 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 2.22 2.24 0.00 56 P 0.00 4.56 0.00 2.18 2.34 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 57 V 7.34 3.68 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 0.75 0.00 0.00 0.96 0.00 0.00 58 K 8.82 3.97 0.00 1.71 1.84 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.46 7.81 59 D 7.26 4.73 0.00 2.72 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.02 2.75 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 1.41 0.70 0.90 0.00 0.00 61 M 8.01 3.07 0.00 2.16 2.40 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 62 V 7.74 3.95 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 0.76 0.00 0.00 0.93 0.00 0.00 63 K 8.68 4.08 0.00 1.83 1.78 0.00 1.77 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.43 7.81 64 S 7.98 4.41 0.00 4.02 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 65 M 7.15 4.37 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.64 0.00 66 P 0.00 4.33 0.00 2.04 2.03 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 67 A 8.68 4.02 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.57 4.55 0.00 1.61 1.61 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.65 4.48 0.00 2.66 2.70 0.00 0.00 7.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.