NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.3425 8.2644 123.5931 50.5858 20.7948 176.1961 5 H 4.9847 7.3589 121.0897 54.8883 31.5303 172.6396 6 F 4.7981 8.0578 126.6845 56.5732 43.3299 172.8361 7 F 4.2154 7.0003 127.9073 56.0916 42.1011 173.8536 8 E 3.9466 7.2349 128.8021 54.5800 28.4715 175.8431 9 G 3.7320 8.2642 116.2759 48.1542 0.0000 172.9158 10 T 3.7931 7.8259 116.4782 64.1354 68.6806 173.7297 11 E 4.4326 8.5537 125.6602 55.2581 31.0382 175.4974 12 K 4.5569 8.3429 119.3547 54.4813 34.2255 175.6941 13 L 4.6952 8.4737 125.0534 52.8427 44.4246 174.9278 14 L 4.7006 8.4831 126.9051 53.0294 44.3555 174.8915 15 E 4.5606 8.7294 125.7016 54.2834 32.1782 174.5719 16 V 4.3338 8.1901 124.8106 60.6860 34.4512 174.1167 17 W 4.5498 8.7426 126.3953 54.9929 30.7640 175.6331 18 F 4.8404 8.7379 122.1845 56.5515 40.3715 174.4478 19 S 4.6595 8.2648 115.1758 58.3312 65.2646 172.3099 20 R 4.7246 8.1914 119.1248 54.4570 32.5881 175.1328 *28 G 3.7614 8.2989 106.9842 45.9146 0.0000 173.1790 29 S 4.1257 8.5254 113.2453 59.0283 63.3629 175.3394 30 G 3.8879 8.6380 107.9261 45.8079 0.0000 172.6343 31 D 4.6060 7.9042 118.9431 52.2861 44.1838 176.2591 32 L 4.0796 8.7134 126.9910 57.7673 41.8421 178.8793 33 R 4.4421 8.2587 115.5044 57.5842 29.9730 177.5734 34 T 4.1110 7.7710 115.4403 65.5888 68.8186 175.4170 35 I 3.5439 7.3668 122.5685 60.4220 37.4333 174.3460 36 P 4.4023 0.0000 0.0000 62.1475 32.1350 177.1954 37 R 4.2435 8.9622 121.8239 60.0339 30.0071 179.0603 38 S 4.1367 8.0925 113.2621 61.5478 62.9236 176.2212 39 E 3.9184 8.0476 122.1853 58.7837 29.0554 179.2439 40 W 4.4390 7.7392 118.7040 59.7951 29.0871 178.0641 41 D 4.4194 8.5261 119.1388 57.4150 40.2616 179.0026 42 I 3.6882 7.6660 119.7656 64.2530 36.9335 178.1092 43 L 3.9681 7.7392 119.6884 58.3729 42.2421 178.7950 44 L 4.1684 8.2766 119.0065 57.6250 41.4951 179.3488 45 K 4.1945 8.3250 121.2522 59.0000 31.9361 178.2624 46 D 4.5790 8.0956 117.5603 55.8844 40.6659 177.1885 47 V 4.3381 7.3211 112.4701 60.7405 32.9609 175.7905 48 Q 3.4295 8.1217 115.5653 56.7699 26.6561 172.6325 49 C 4.8540 7.3106 116.3720 58.2277 35.6550 171.8873 50 S 4.8614 8.2886 116.6054 57.0191 66.4825 173.0636 51 I 4.3387 8.3327 122.1867 61.5027 37.0516 175.8180 52 I 4.2900 9.0843 127.8153 62.8439 38.6862 176.0146 53 S 4.6885 7.6987 114.0804 57.0419 65.8829 173.2518 54 V 4.6042 8.1560 123.6763 61.4202 34.5514 174.6821 55 T 4.6685 8.6779 123.1754 61.7732 72.6763 172.9959 56 K 5.0618 8.6665 124.3265 54.8288 35.7425 175.3278 57 T 4.7143 8.4575 113.1870 59.4952 71.8096 173.6603 58 D 4.4904 8.6589 120.2312 57.3889 40.8909 178.2867 59 K 4.2228 7.9970 117.3016 58.5549 32.7196 176.4932 60 Q 4.5925 7.8261 114.6831 55.0542 31.5318 172.4341 61 E 4.9924 8.5980 117.5675 54.4508 32.1034 175.3307 62 A 4.8135 8.9968 125.9289 50.2762 21.8960 174.8066 63 Y 5.0126 8.5526 118.6154 56.1183 41.4738 175.0531 64 V 4.2492 8.7001 124.1245 61.5892 33.3246 175.4038 65 L 4.9865 8.4141 127.8254 53.5210 43.5914 176.9816 66 S 4.3137 8.6587 114.8891 60.8216 63.6442 174.3058 67 E 4.3021 7.8909 124.5983 55.7431 29.8181 174.6717 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 4 A 8.26 4.34 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 5 H 7.36 4.98 0.00 3.30 3.36 0.00 5.90 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 F 8.06 4.80 0.00 2.97 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 7 F 7.00 4.22 0.00 2.71 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 8 E 7.23 3.95 0.00 1.89 1.51 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 2.20 2.26 0.00 9 G 8.26 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 0.00 0.00 0.00 10 T 7.83 3.79 4.33 0.00 0.00 0.00 0.00 0.00 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 11 E 8.55 4.43 0.00 1.93 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 0.00 2.29 2.55 0.00 12 K 8.34 4.56 0.00 1.70 1.70 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.36 7.81 13 L 8.47 4.70 0.00 1.53 1.51 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.48 4.70 0.00 1.58 1.49 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.73 4.56 0.00 1.92 1.82 0.00 0.00 0.00 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 2.16 0.00 16 V 8.19 4.33 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.86 0.00 0.00 17 W 8.74 4.55 0.00 3.20 3.16 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 0.00 0.00 0.00 0.00 18 F 8.74 4.84 0.00 3.08 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 19 S 8.26 4.66 0.00 4.01 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 20 R 8.19 4.72 0.00 1.82 1.93 0.00 3.26 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 *28 G 8.30 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 0.00 0.00 0.00 29 S 8.53 4.13 0.00 3.98 3.99 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 30 G 8.64 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 31 D 7.90 4.61 0.00 2.63 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.71 4.08 0.00 1.82 1.86 1.08 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.26 4.44 0.00 2.00 2.05 0.00 3.19 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 34 T 7.77 4.11 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 35 I 7.37 3.54 1.65 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.41 -0.38 0.00 0.00 36 P 0.00 4.40 0.00 2.07 1.93 0.00 3.37 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 2.01 2.00 0.00 37 R 8.96 4.24 0.00 2.10 2.04 0.00 3.46 0.00 0.00 3.64 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.00 0.00 38 S 8.09 4.14 0.00 4.08 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 39 E 8.05 3.92 0.00 1.75 1.66 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 2.17 2.26 0.00 40 W 7.74 4.44 0.00 3.46 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 41 D 8.53 4.42 0.00 2.90 2.76 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 42 I 7.67 3.69 1.98 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 1.40 0.78 0.90 0.00 0.00 43 L 7.74 3.97 0.00 1.77 2.02 1.05 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.28 4.17 0.00 1.95 1.94 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.33 4.19 0.00 2.09 1.94 0.00 1.59 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.40 7.81 46 D 8.10 4.58 0.00 2.88 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 47 V 7.32 4.34 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 0.73 0.00 0.00 1.04 0.00 0.00 48 Q 8.12 3.43 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 49 C 7.31 4.85 0.00 2.91 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 50 S 8.29 4.86 0.00 3.87 3.91 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 0.00 0.00 0.00 51 I 8.33 4.34 1.96 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.54 1.14 0.00 0.00 52 I 9.08 4.29 2.03 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 1.12 0.55 0.91 0.00 0.00 53 S 7.70 4.69 0.00 3.84 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.16 4.60 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 0.22 0.00 0.00 0.94 0.00 0.00 55 T 8.68 4.67 4.13 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 1.15 0.00 0.00 56 K 8.67 5.06 0.00 1.53 1.61 0.00 1.64 0.00 0.00 1.73 0.00 0.00 2.74 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.17 1.25 7.81 57 T 8.46 4.71 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 1.18 0.00 0.00 58 D 8.66 4.49 0.00 2.69 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.00 4.22 0.00 1.75 1.87 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.43 7.81 60 Q 7.83 4.59 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 61 E 8.60 4.99 0.00 1.89 1.61 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 2.15 2.28 0.00 62 A 9.00 4.81 1.12 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 63 Y 8.55 5.01 0.00 2.62 2.75 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 64 V 8.70 4.25 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 0.96 0.00 0.00 0.92 0.00 0.00 65 L 8.41 4.99 0.00 1.57 1.60 0.88 0.92 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 66 S 8.66 4.31 0.00 3.90 3.99 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 67 E 7.89 4.30 0.00 1.96 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 2.31 2.56 0.00 * Residues marked with a * may have inaccurate shift predictions.