NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2263 8.2644 123.5823 51.6146 19.8881 176.2389 2 M 3.8073 8.6042 120.7241 54.3641 31.7399 173.2208 3 D 4.4902 7.9332 126.8271 54.8447 42.0420 176.9410 *5 S 4.1994 7.6893 116.4711 55.7278 65.2210 174.2759 6 A 3.7336 7.9653 122.5337 52.7917 16.0432 176.6373 7 K 4.9146 7.8768 116.6885 57.1890 33.0184 176.4517 8 A 4.7439 8.7636 123.9224 49.7066 23.1485 173.8821 9 P 4.6390 0.0000 0.0000 62.9120 32.4324 175.8741 10 Q 4.5187 9.4246 124.9261 54.5380 31.4645 173.9225 11 I 4.9008 8.3862 127.2898 60.0271 39.4524 175.3726 12 T 4.3769 8.8465 122.5494 61.7191 71.8595 172.8176 13 I 4.5535 8.1636 127.2287 59.8768 39.0070 175.6274 14 F 4.4730 9.3649 127.9485 55.9477 39.8005 173.5662 15 D 5.1407 8.5974 123.6901 52.4377 40.3740 175.5800 16 H 5.0809 8.5503 126.5831 54.4487 29.8212 175.0315 17 R 4.0522 7.6292 118.0864 58.0549 30.1597 177.8108 18 G 3.9423 9.3669 111.8718 45.2841 0.0000 173.0931 19 C 4.2570 8.0995 121.8066 59.1340 31.9340 174.2551 20 S 3.8445 8.5547 120.7673 59.5479 63.2316 174.0086 21 R 4.0309 7.2706 120.8227 55.3307 29.6116 175.7913 22 A 4.1469 8.4105 129.3547 51.0900 19.0856 175.1252 23 P 4.3750 0.0000 0.0000 62.9541 31.8472 176.6483 24 K 4.5647 8.4823 116.5919 56.8244 34.5630 176.3327 25 E 4.4712 7.9599 117.9089 56.4163 30.9728 176.2938 26 S 4.4448 7.7690 113.3726 58.3039 63.8297 173.8912 27 T 4.5771 8.3200 108.0585 61.1534 69.8085 174.3652 28 G 3.9342 8.1837 109.6887 45.1773 0.0000 174.8300 29 G 3.7925 8.1199 108.5874 44.1999 0.0000 172.7313 30 K 4.7205 8.2489 116.9931 54.5072 34.3162 176.5479 31 A 4.0725 9.6089 126.3241 52.9996 18.6783 177.7252 32 G 3.8057 8.6901 103.7367 46.4958 0.0000 173.7149 33 G 3.9972 7.4837 107.5889 45.4699 0.0000 174.4238 34 Q 4.0287 8.2460 116.2214 58.6274 29.1680 177.9167 35 D 4.4075 8.1609 118.6839 57.2366 40.9176 177.5167 36 D 4.6336 8.2807 117.4063 55.7792 40.9034 176.3628 37 E 4.7913 8.4298 118.4685 56.0379 31.3061 175.1272 38 M 5.1373 8.0256 118.0006 54.2414 36.2785 174.4273 39 M 4.7404 8.9266 118.4615 54.6689 36.4762 173.2835 40 V 4.8572 8.4855 124.6678 61.0746 33.6750 174.3586 41 K 4.7436 9.1984 129.5535 54.6503 34.7446 174.7973 42 V 4.9114 8.4563 125.7330 61.1509 34.2817 174.1153 43 A 4.8676 9.0846 128.6157 50.0873 23.0526 174.5946 44 S 5.1812 8.6472 113.6125 56.8880 64.2151 173.2149 45 T 4.7960 8.3961 116.9064 59.2910 72.3972 173.2395 46 K 4.5452 8.6562 124.7147 56.6682 33.0353 176.0223 47 V 4.3409 8.6435 128.4811 61.9605 32.3839 175.3604 48 T 4.7006 8.4063 116.7659 59.8030 71.7691 173.1934 49 V 4.3624 8.1559 122.8030 60.3948 34.2633 176.0513 50 S 4.4176 8.4482 121.9953 58.0639 65.1700 174.9945 51 E 3.9647 8.6782 122.9148 59.5879 29.3281 179.8024 52 S 4.0997 7.9992 113.8653 61.6213 63.1189 176.1999 53 D 4.2936 8.2265 122.3666 56.9371 40.4705 178.5687 54 A 3.9623 8.2493 121.1849 54.9967 18.3694 179.5325 55 A 3.8755 8.1731 119.4341 55.2087 18.1751 180.0071 56 K 3.8353 7.8977 116.8060 59.4904 32.0271 179.7621 57 K 3.4438 7.8661 118.6934 59.0498 31.8808 179.0039 58 L 3.8236 7.7883 120.7547 58.3358 41.7386 178.9346 59 Q 3.9317 7.6486 118.0088 58.8145 29.2415 177.8866 60 E 4.0804 7.5400 119.7161 59.4344 29.6549 179.1862 61 F 4.5866 8.2105 118.1775 60.4252 38.7557 177.1982 62 I 3.5604 7.7587 117.2868 62.6312 37.8402 176.1823 63 T 3.9341 6.9951 107.7784 61.3612 69.4401 174.3766 64 F 4.0683 7.3334 119.9133 59.0102 36.5534 174.5504 65 E 4.6615 8.1682 119.5597 55.0962 31.5324 174.7915 66 K 4.6440 8.0755 118.0224 55.7729 35.5752 175.3292 67 G 4.0206 8.2676 108.0160 44.5391 0.0000 173.5661 68 I 3.8452 8.3431 119.0715 64.4501 37.1835 177.1993 69 D 4.4344 7.7795 118.1013 55.1181 41.2980 177.1077 70 G 4.1364 8.6062 105.8659 44.9353 0.0000 171.7285 71 P 4.3803 0.0000 0.0000 62.1940 32.0056 176.0787 72 F 4.6029 8.7069 122.5645 57.9603 38.9043 175.2519 73 T 4.2521 7.8083 117.2665 61.0599 69.8276 174.6574 74 S 3.8886 6.6054 116.6982 58.4766 62.8394 173.4933 75 K 4.4083 8.1503 123.2641 56.0795 32.5619 176.3216 76 N 4.5636 7.7986 122.6274 53.3681 38.9987 174.1509 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 1 A 8.26 4.23 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 2 M 8.60 3.81 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 3 D 7.93 4.49 0.00 2.79 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 *5 S 7.69 4.20 0.00 4.03 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 6 A 7.97 3.73 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.88 4.91 0.00 1.68 1.75 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.55 1.40 7.81 8 A 8.76 4.74 1.20 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 0.00 0.00 0.00 9 P 0.00 4.64 0.00 1.95 2.00 0.00 3.62 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 10 Q 9.42 4.52 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 11 I 8.39 4.90 1.84 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 1.34 0.72 0.88 0.00 0.00 12 T 8.85 4.38 3.94 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 0.35 0.00 0.00 13 I 8.16 4.55 1.80 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 1.28 0.80 0.91 0.00 0.00 14 F 9.36 4.47 0.00 2.76 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.60 5.14 0.00 2.70 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 16 H 8.55 5.08 0.00 3.31 3.27 0.00 5.70 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.63 4.05 0.00 1.86 1.91 0.00 3.28 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 18 G 9.37 3.94 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 0.00 0.00 0.00 19 C 8.10 4.26 0.00 2.98 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 S 8.55 3.84 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 21 R 7.27 4.03 0.00 1.78 1.90 0.00 3.41 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 22 A 8.41 4.15 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 23 P 0.00 4.38 0.00 2.14 2.01 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.06 0.00 24 K 8.48 4.56 0.00 1.83 1.84 0.00 1.55 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.28 1.36 7.81 25 E 7.96 4.47 0.00 1.81 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 2.14 2.27 0.00 26 S 7.77 4.44 0.00 3.96 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 27 T 8.32 4.58 4.23 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 1.25 0.00 0.00 28 G 8.18 3.93 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 0.00 0.00 0.00 29 G 8.12 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.25 4.72 0.00 1.72 1.82 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.33 7.81 31 A 9.61 4.07 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 32 G 8.69 3.81 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 0.00 0.00 0.00 33 G 7.48 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.25 4.03 0.00 2.26 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 35 D 8.16 4.41 0.00 2.73 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 36 D 8.28 4.63 0.00 2.76 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.43 4.79 0.00 1.90 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 0.00 2.21 2.25 0.00 38 M 8.03 5.14 0.00 1.92 1.93 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.61 0.00 39 M 8.93 4.74 0.00 1.99 1.77 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.59 0.00 40 V 8.49 4.86 2.12 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 0.85 0.00 0.00 0.96 0.00 0.00 41 K 9.20 4.74 0.00 2.11 1.83 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.43 7.81 42 V 8.46 4.91 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 0.86 0.00 0.00 0.94 0.00 0.00 43 A 9.08 4.87 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 44 S 8.65 5.18 0.00 3.86 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.40 4.80 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 1.26 0.00 0.00 46 K 8.66 4.55 0.00 1.79 1.76 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.59 7.81 47 V 8.64 4.34 2.09 0.00 0.00 0.00 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 0.96 0.00 0.00 48 T 8.41 4.70 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 49 V 8.16 4.36 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.94 0.00 0.00 50 S 8.45 4.42 0.00 4.08 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 51 E 8.68 3.96 0.00 2.03 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 0.00 2.40 2.37 0.00 52 S 8.00 4.10 0.00 4.02 4.11 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 0.00 0.00 0.00 0.00 53 D 8.23 4.29 0.00 2.86 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 54 A 8.25 3.96 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.17 3.88 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 56 K 7.90 3.84 0.00 1.92 1.79 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.65 7.81 57 K 7.87 3.44 0.00 1.54 0.77 0.00 1.50 0.00 0.00 1.49 0.00 0.00 2.94 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.51 1.48 7.81 58 L 7.79 3.82 0.00 1.71 1.76 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 7.65 3.93 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 60 E 7.54 4.08 0.00 1.97 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 0.00 2.27 2.37 0.00 61 F 8.21 4.59 0.00 3.00 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 62 I 7.76 3.56 1.94 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.65 0.84 0.00 0.00 63 T 7.00 3.93 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 1.12 0.00 0.00 64 F 7.33 4.07 0.00 3.41 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 65 E 8.17 4.66 0.00 2.01 1.96 0.00 0.00 0.00 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 2.24 0.00 66 K 8.08 4.64 0.00 1.90 1.91 0.00 1.90 0.00 0.00 1.87 0.00 0.00 3.17 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.42 1.51 7.81 67 G 8.27 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 0.00 0.00 0.00 68 I 8.34 3.85 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 1.43 0.85 0.92 0.00 0.00 69 D 7.78 4.43 0.00 2.68 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.61 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.38 0.00 2.21 2.09 0.00 3.77 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 1.98 1.95 0.00 72 F 8.71 4.60 0.00 2.91 3.06 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 0.00 0.00 0.00 0.00 73 T 7.81 4.25 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 1.15 0.00 0.00 74 S 6.61 3.89 0.00 3.50 3.11 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 0.00 0.00 0.00 0.00 75 K 8.15 4.41 0.00 1.63 1.71 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.26 1.29 7.81 76 N 7.80 4.56 0.00 1.92 2.40 0.00 0.00 6.74 7.39 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 * Residues marked with a * may have inaccurate shift predictions.