NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.8922 8.3093 119.4842 57.4846 40.3281 174.5199 2 V 3.7567 8.2823 124.9947 60.5800 33.1695 173.7442 3 N 4.0700 9.3915 118.8827 55.1149 38.3357 177.1784 4 Q 4.4292 7.5553 119.1883 55.4174 27.9230 176.1182 5 H 4.5913 7.7663 115.1328 54.6171 30.4293 175.9804 6 L 4.6566 8.4111 123.6401 52.9281 42.4939 174.8798 7 C 4.9309 8.3543 119.2374 58.6049 32.3234 174.2199 8 G 3.9128 8.5183 113.0324 46.8641 0.0000 175.6462 9 S 3.8555 8.8961 119.8124 61.3280 62.6720 175.0062 10 D 4.3760 8.2239 122.2844 57.0890 40.2644 178.9070 11 L 3.9587 7.6771 120.7994 57.7789 42.0852 179.0240 12 V 3.2879 6.8579 118.2327 63.7998 31.6353 177.8655 13 E 3.9944 9.6292 119.8387 58.8670 29.4081 178.6335 14 A 4.0237 7.9925 120.9227 55.3435 18.4945 179.7485 15 L 3.8404 7.4923 117.1989 57.8419 41.5424 179.3931 16 Y 3.8080 7.7773 117.1224 60.5372 37.4641 178.0694 17 L 4.2776 7.3847 118.7887 56.9252 42.2630 178.6592 18 V 3.7457 7.8980 111.7860 64.0362 31.6484 176.9715 19 C 4.3752 8.3450 116.1169 59.1418 29.0441 175.3513 20 G 4.2448 7.8898 112.7026 46.7539 0.0000 175.1169 *22 R 4.0200 7.8320 116.1083 55.1488 31.4359 176.1793 23 G 3.4582 8.3679 108.9660 44.8866 0.0000 172.6164 24 F 4.7676 6.7190 112.1149 56.6913 40.2651 174.1519 25 F 4.6083 8.5274 117.4020 56.5139 38.3498 176.5713 26 Y 3.9676 8.3246 121.7182 60.1706 39.5988 174.6711 27 T 4.2092 6.5838 112.3449 62.3553 69.9013 172.9246 28 K 4.4391 7.7591 112.9245 56.2678 32.7799 172.4150 29 P 4.5645 0.0000 0.0000 62.5094 32.9922 177.1507 30 T 4.1414 8.2340 107.4168 62.0127 69.0123 174.5266 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 F 8.31 4.89 0.00 3.09 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 2 V 8.28 3.76 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.93 0.00 0.00 3 N 9.39 4.07 0.00 2.77 2.83 0.00 0.00 7.15 7.12 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 4 Q 7.56 4.43 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.53 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 5 H 7.77 4.59 0.00 3.14 3.26 0.00 5.83 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.41 4.66 0.00 1.62 1.78 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.35 4.93 0.00 2.98 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 8 G 8.52 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 0.00 0.00 0.00 9 S 8.90 3.86 0.00 4.00 4.06 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 10 D 8.22 4.38 0.00 2.70 2.80 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 11 L 7.68 3.96 0.00 1.89 1.62 1.04 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 12 V 6.86 3.29 1.08 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 0.74 0.00 0.00 13 E 9.63 3.99 0.00 2.15 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 2.27 2.28 0.00 14 A 7.99 4.02 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 15 L 7.49 3.84 0.00 1.46 1.20 0.99 1.10 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 16 Y 7.78 3.81 0.00 3.07 2.91 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 17 L 7.38 4.28 0.00 1.61 1.74 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.90 3.75 2.05 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 0.64 0.00 0.00 0.98 0.00 0.00 19 C 8.34 4.38 0.00 3.14 3.10 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 0.00 20 G 7.89 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 0.00 0.00 0.00 0.00 *22 R 7.83 4.02 0.00 1.88 2.03 0.00 3.38 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.85 0.00 23 G 8.37 3.46 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 0.00 0.00 0.00 24 F 6.72 4.77 0.00 3.06 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 25 F 8.53 4.61 0.00 3.18 3.09 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 0.00 0.00 0.00 0.00 26 Y 8.32 3.97 0.00 2.73 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 27 T 6.58 4.21 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 28 K 7.76 4.44 0.00 1.93 1.95 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.15 1.26 7.81 29 P 0.00 4.56 0.00 2.19 2.10 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.89 0.00 30 T 8.23 4.14 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 * Residues marked with a * may have inaccurate shift predictions.