NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.0538 7.8827 120.7723 61.0356 40.0009 177.3627 3 V 3.3047 7.6927 118.4501 65.5555 31.4938 174.4156 4 E 4.0800 8.1876 118.0820 59.2917 29.6485 178.3319 5 Q 3.9826 7.9527 117.9324 59.6147 29.2714 178.8009 6 C 4.4545 8.2227 116.0993 59.4176 40.1655 174.0339 7 C 4.4327 7.3223 118.7954 59.5310 32.0252 173.4233 *9 S 4.5454 7.4295 112.5139 57.7994 62.3773 174.5524 10 I 4.7984 8.1619 110.7008 59.1422 40.2918 172.7965 11 C 5.0606 8.3841 114.3965 53.3054 43.0147 173.7653 12 S 4.9217 9.0023 116.1048 56.7761 66.2502 175.3497 13 L 4.0210 8.2780 122.0336 57.9725 41.0785 179.3999 14 Y 4.0443 7.8419 115.8637 60.9718 38.1741 177.7771 15 Q 4.2570 8.2013 119.1392 58.9077 28.8029 178.5834 16 L 4.2175 8.0457 120.1396 57.6933 41.7302 179.0157 17 E 3.9623 8.1818 119.2958 59.1885 29.2696 178.1573 18 N 4.4877 7.9614 114.3292 54.8384 38.6086 175.0068 19 Y 4.4021 7.6419 117.0690 57.7378 38.5384 175.7132 20 C 4.4300 7.7167 117.9353 59.4532 29.0566 173.2770 21 N 4.4962 8.5212 118.7251 53.8774 38.5648 174.7846 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 I 7.88 4.05 1.61 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.35 -0.01 0.00 0.00 3 V 7.69 3.30 2.01 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 0.91 0.00 0.00 0.80 0.00 0.00 4 E 8.19 4.08 0.00 2.08 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 2.38 2.40 0.00 5 Q 7.95 3.98 0.00 2.04 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 7.38 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 6 C 8.22 4.45 0.00 2.98 3.12 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 7 C 7.32 4.43 0.00 2.87 2.88 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 0.00 0.00 0.00 *9 S 7.43 4.55 0.00 3.90 3.45 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 10 I 8.16 4.80 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 1.48 0.85 0.92 0.00 0.00 11 C 8.38 5.06 0.00 3.21 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 12 S 9.00 4.92 0.00 4.21 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 0.00 13 L 8.28 4.02 0.00 1.40 1.55 0.83 0.77 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 14 Y 7.84 4.04 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 15 Q 8.20 4.26 0.00 2.38 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.84 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 16 L 8.05 4.22 0.00 1.90 1.76 0.91 0.82 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 17 E 8.18 3.96 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 18 N 7.96 4.49 0.00 2.54 2.50 0.00 0.00 6.94 8.09 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 19 Y 7.64 4.40 0.00 3.16 3.02 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 20 C 7.72 4.43 0.00 3.01 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 21 N 8.52 4.50 0.00 2.69 2.69 0.00 0.00 6.86 7.57 0.00 0.00 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.