NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3617 8.3344 115.2880 57.7954 62.8411 171.7943 3 I 4.3973 7.2766 120.4366 56.6086 40.8722 173.6805 4 T 4.3491 9.8543 120.7315 61.4080 71.8930 174.2670 5 S 4.0947 8.7311 116.1513 62.3716 62.6158 176.4460 6 D 4.4681 8.1930 120.7236 58.4822 40.7271 178.4739 7 E 4.1159 8.1708 119.2671 58.7706 29.3316 179.2131 8 V 3.7205 8.0562 119.6654 65.8834 31.1744 177.5645 9 N 4.6086 8.2268 116.9483 55.7267 38.2965 176.5205 10 F 4.0834 8.4903 121.4451 61.9526 39.5313 177.0417 11 L 4.0445 8.2857 119.2810 58.9109 41.5453 179.1161 12 V 3.5364 8.1956 118.0323 66.1342 31.7913 177.0259 13 Y 4.0763 8.9647 120.3422 61.5132 38.5589 177.9477 14 R 3.8030 8.8706 118.9215 59.2482 30.2768 178.4534 15 Y 4.0308 8.2446 118.2198 60.8068 39.2042 178.8268 16 L 4.0154 8.0742 119.9979 58.2385 41.6676 178.8958 17 Q 3.7767 7.7065 117.0724 59.8050 28.5004 179.4075 18 E 3.8198 7.8821 119.1983 59.6049 29.6999 178.9256 19 S 3.9829 7.3248 112.1909 57.7453 63.0968 174.1485 20 G 3.6598 8.2526 110.2242 47.3607 0.0000 174.9248 21 F 5.1623 7.8798 116.0964 57.8828 37.6083 177.1027 22 S 4.0258 7.7586 115.2218 62.0763 63.1290 174.3220 23 H 4.4478 8.0983 118.2505 59.2270 28.6211 177.7756 24 S 4.1965 8.2682 116.0465 61.5944 62.6510 176.5799 25 A 4.0992 8.4046 123.7257 55.7421 17.9031 178.8982 26 F 4.2462 8.4903 118.1314 61.5419 39.6443 176.8348 27 T 3.8453 8.2860 114.0827 67.2689 68.4247 175.7037 28 F 4.0321 8.7171 121.9547 61.5606 39.3558 177.4641 29 G 3.4992 8.3544 105.1275 47.9815 0.0000 175.6774 30 I 3.5473 7.5892 122.0347 63.9804 37.0484 178.2042 31 E 3.8206 7.8038 118.3527 58.0484 29.4390 177.6887 32 S 4.2546 7.2085 112.5041 56.8824 64.5226 173.8585 33 H 3.9179 7.6876 117.8048 57.0201 26.4688 176.2835 34 I 3.4635 7.6494 120.9842 64.2454 38.1904 177.2113 35 S 4.4279 7.8515 113.2417 59.7364 62.8187 174.3338 36 Q 4.3968 7.8482 118.7731 56.2557 29.9071 176.1208 37 S 4.2399 7.4651 112.1889 58.0575 63.2426 174.4962 38 N 4.7342 8.5399 128.2488 52.5718 37.2491 173.7829 39 I 4.3710 7.2435 119.2889 59.0485 40.9233 175.4628 40 N 4.5198 8.5576 123.6185 52.5645 38.6425 175.5528 41 G 3.4355 8.8102 116.4559 48.7879 0.0000 174.3687 42 T 4.0828 7.9793 108.1502 63.1185 68.6460 174.2083 43 L 4.7234 7.7386 122.7429 54.3445 42.3736 176.2391 44 V 4.3376 7.5784 117.8683 60.3876 34.2560 173.2524 45 P 4.6664 0.0000 0.0000 60.7932 32.7182 173.4109 46 P 4.0905 0.0000 0.0000 64.4755 31.4081 175.5984 47 A 3.9007 9.0980 121.9848 52.5906 17.3667 179.1642 48 A 4.0453 7.8097 122.3243 57.1189 18.2668 180.3602 49 L 3.8823 7.9119 117.7895 58.4956 42.1756 178.8526 50 I 3.8332 7.3576 117.9264 63.7559 37.3880 177.3353 51 S 4.6266 7.8493 113.5838 59.3883 64.4601 176.1173 52 I 3.6807 7.5670 122.8381 64.3269 36.8899 177.9936 53 L 3.9395 7.9321 118.9841 58.0208 41.3654 178.8901 54 Q 3.9539 8.1282 118.7460 59.5942 28.8145 178.8318 55 K 4.2380 8.1556 118.2242 58.4631 32.3090 179.5231 56 G 3.6325 8.0798 106.6788 47.8041 0.0000 175.8277 57 L 4.1588 7.9631 121.2990 57.6302 41.6630 179.6024 58 Q 4.5077 7.8531 119.5173 58.3683 28.4193 177.6989 59 Y 4.0891 8.0548 120.0736 60.7183 38.9764 178.4406 60 V 4.0486 7.3732 119.4275 65.7628 31.7619 178.0233 61 E 4.0721 8.2116 117.4673 58.7488 28.9741 179.1442 62 A 4.0179 8.0315 121.4155 54.8655 18.2914 179.2094 63 E 4.0089 7.9738 116.5771 58.5326 29.3806 179.4364 64 I 3.8483 7.4242 120.2776 64.1330 37.3819 178.1698 65 S 4.2094 7.7547 113.1853 60.5962 62.9021 175.5464 66 I 4.0346 7.2610 116.1557 62.5710 38.0108 176.0204 *67 N 4.5069 7.6219 122.4132 52.5279 38.2211 179.4126 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 S 8.33 4.36 0.00 3.83 3.86 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 3 I 7.28 4.40 1.85 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 0.88 0.90 0.00 0.00 4 T 9.85 4.35 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 1.22 0.00 0.00 5 S 8.73 4.09 0.00 3.90 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 6 D 8.19 4.47 0.00 2.72 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.17 4.12 0.00 2.28 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 0.00 2.34 2.34 0.00 8 V 8.06 3.72 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 1.10 0.00 0.00 0.97 0.00 0.00 9 N 8.23 4.61 0.00 3.12 3.07 0.00 0.00 6.48 7.95 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 10 F 8.49 4.08 0.00 3.24 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.29 4.04 0.00 2.14 1.85 1.01 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.20 3.54 2.18 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 0.48 0.00 0.00 0.87 0.00 0.00 13 Y 8.96 4.08 0.00 3.12 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 14 R 8.87 3.80 0.00 2.16 2.18 0.00 3.63 0.00 0.00 3.57 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.98 0.00 15 Y 8.24 4.03 0.00 3.03 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 16 L 8.07 4.02 0.00 1.79 1.81 0.73 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 7.71 3.78 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.72 0.00 0.00 0.00 0.00 0.00 2.23 1.99 0.00 18 E 7.88 3.82 0.00 1.73 1.87 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 2.25 2.34 0.00 19 S 7.32 3.98 0.00 2.85 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.25 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 0.00 0.00 0.00 21 F 7.88 5.16 0.00 3.04 2.89 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 22 S 7.76 4.03 0.00 3.82 3.74 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 23 H 8.10 4.45 0.00 3.24 3.34 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.27 4.20 0.00 3.91 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 25 A 8.40 4.10 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.49 4.25 0.00 3.06 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 27 T 8.29 3.85 4.37 0.00 0.00 0.00 0.00 0.00 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 28 F 8.72 4.03 0.00 3.30 3.29 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 29 G 8.35 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 0.00 0.00 0.00 30 I 7.59 3.55 1.72 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 0.90 0.76 0.00 0.00 31 E 7.80 3.82 0.00 1.79 1.65 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 2.10 2.23 0.00 32 S 7.21 4.25 0.00 3.67 2.73 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 33 H 7.69 3.92 0.00 3.23 3.23 0.00 5.63 0.00 0.00 0.00 0.00 8.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.65 3.46 1.50 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 1.30 1.36 0.52 0.00 0.00 35 S 7.85 4.43 0.00 3.85 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 36 Q 7.85 4.40 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 37 S 7.47 4.24 0.00 3.89 3.86 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 38 N 8.54 4.73 0.00 2.72 2.75 0.00 0.00 6.93 7.94 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 39 I 7.24 4.37 1.61 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 1.30 0.80 0.51 0.00 0.00 40 N 8.56 4.52 0.00 2.68 2.66 0.00 0.00 7.09 7.91 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 41 G 8.81 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.98 4.08 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 1.25 0.00 0.00 43 L 7.74 4.72 0.00 1.63 1.63 0.90 1.07 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 44 V 7.58 4.34 1.88 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 0.85 0.00 0.00 0.80 0.00 0.00 45 P 0.00 4.67 0.00 2.26 2.14 0.00 3.78 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 46 P 0.00 4.09 0.00 2.06 2.06 0.00 3.83 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 2.04 2.12 0.00 47 A 9.10 3.90 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.81 4.05 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 0.00 0.00 49 L 7.91 3.88 0.00 1.80 1.71 0.87 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.36 3.83 2.02 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 1.58 0.66 0.99 0.00 0.00 51 S 7.85 4.63 0.00 4.01 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 52 I 7.57 3.68 1.86 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 1.52 0.85 0.89 0.00 0.00 53 L 7.93 3.94 0.00 1.82 1.71 0.88 0.69 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 54 Q 8.13 3.95 0.00 2.17 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 55 K 8.16 4.24 0.00 2.06 1.86 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.46 7.81 56 G 8.08 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.96 4.16 0.00 1.98 1.75 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 7.85 4.51 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 59 Y 8.05 4.09 0.00 3.05 3.22 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 60 V 7.37 4.05 2.31 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 1.28 0.00 0.00 1.13 0.00 0.00 61 E 8.21 4.07 0.00 2.08 1.98 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 2.33 2.33 0.00 62 A 8.03 4.02 1.30 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 0.00 0.00 0.00 63 E 7.97 4.01 0.00 2.14 1.91 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 2.10 2.00 0.00 64 I 7.42 3.85 1.85 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 1.69 1.45 0.90 0.00 0.00 65 S 7.75 4.21 0.00 4.00 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 66 I 7.26 4.03 1.84 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 1.38 0.66 0.94 0.00 0.00 *67 N 7.62 4.51 0.00 2.72 2.65 0.00 0.00 6.83 8.84 0.00 0.00 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.