NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3106 8.2549 120.8601 56.6702 32.2713 176.7679 2 M 4.0425 7.9296 117.2737 57.4468 32.3344 177.2651 3 K 4.3134 8.6191 119.8471 56.7953 32.9092 178.3062 *5 I 4.0822 7.9310 118.3247 61.0308 39.1518 177.1751 6 E 4.1101 8.6562 119.9171 59.5871 29.6560 179.2168 7 D 4.6532 7.9611 117.7544 54.4456 40.8629 177.8351 *9 L 4.2088 8.0906 119.6122 54.6097 43.8948 177.3447 10 E 4.0907 8.2099 119.1532 59.1912 29.7795 178.3576 11 E 4.5104 7.9122 117.9035 55.8785 29.1519 178.4365 *13 L 4.3097 8.0980 118.4190 54.3553 43.9217 178.7031 14 S 4.4350 8.2136 113.0996 61.2647 63.3888 175.6979 15 K 4.2144 8.2218 121.3487 56.6930 31.7097 178.6351 *17 Y 4.6026 7.9301 117.7183 58.4605 40.2007 176.7511 18 H 4.4209 8.3470 118.8913 59.4713 30.2718 178.2719 19 I 4.0649 7.9253 121.2933 61.4659 36.5212 178.0958 *21 N 4.6914 8.2840 118.6784 53.5550 40.7168 176.3373 22 E 4.1007 8.3978 117.7227 59.5548 29.7863 179.9886 23 L 4.3539 8.1459 118.8624 54.9957 41.1959 179.3470 *25 R 4.2012 8.1678 119.6498 56.5845 31.9611 176.5479 26 I 3.8980 7.9450 118.4559 64.4958 36.8535 179.8994 27 K 4.0200 7.8699 119.6270 56.4120 30.8776 178.8445 *29 L 3.9560 7.9294 119.7609 54.4229 43.3890 177.7681 30 L 4.2827 7.7806 116.6195 54.0079 42.5973 175.5540 31 G 3.4628 7.1956 106.5387 45.7866 0.0000 174.1639 *33 R 4.0926 7.6481 119.9310 56.7056 30.4889 176.1379 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 R 8.25 4.31 0.00 1.79 2.02 0.00 3.20 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 2 M 7.93 4.04 0.00 2.17 2.09 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 2.69 2.53 0.00 3 K 8.62 4.31 0.00 1.79 1.76 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.46 7.81 *5 I 7.93 4.08 2.04 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 1.42 0.77 0.91 0.00 0.00 6 E 8.66 4.11 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 7 D 7.96 4.65 0.00 2.80 2.62 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 *9 L 8.09 4.21 0.00 1.66 1.91 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.21 4.09 0.00 2.11 2.13 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 2.32 2.31 0.00 11 E 7.91 4.51 0.00 2.19 1.89 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 2.31 2.25 0.00 *13 L 8.10 4.31 0.00 2.07 1.88 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.21 4.44 0.00 4.06 4.26 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.22 4.21 0.00 1.85 1.88 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.53 7.81 *17 Y 7.93 4.60 0.00 3.04 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 18 H 8.35 4.42 0.00 3.35 3.57 0.00 5.78 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.93 4.06 1.91 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 1.28 0.55 0.88 0.00 0.00 *21 N 8.28 4.69 0.00 2.94 2.93 0.00 0.00 7.27 7.72 0.00 0.00 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 E 8.40 4.10 0.00 2.07 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 2.22 2.24 0.00 23 L 8.15 4.35 0.00 1.65 1.66 0.90 0.66 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 *25 R 8.17 4.20 0.00 1.77 2.16 0.00 3.29 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.72 0.00 26 I 7.95 3.90 2.02 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 1.29 0.77 0.91 0.00 0.00 27 K 7.87 4.02 0.00 1.84 1.82 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.56 7.81 *29 L 7.93 3.96 0.00 1.81 1.77 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.78 4.28 0.00 1.84 1.70 0.92 0.92 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 31 G 7.20 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 *33 R 7.65 4.09 0.00 1.84 1.90 0.00 3.24 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 * Residues marked with a * may have inaccurate shift predictions.