NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.9728 8.4293 117.8456 55.4992 30.2325 174.1276 1 F 4.5545 9.0780 120.7383 56.5398 40.0440 172.8579 2 D 4.5806 8.6667 120.6831 54.9053 40.3386 180.3384 *4 Y 4.6077 8.5934 134.2182 58.1391 38.6128 173.5462 5 L 4.0964 8.3747 128.2280 54.2780 42.3046 177.1054 6 I 3.7818 7.9402 118.1158 60.8143 38.6378 176.4286 7 R 4.0566 7.8346 124.6017 56.8458 29.0973 181.5353 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 0 H 8.43 4.97 0.00 3.12 3.19 0.00 5.67 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 F 9.08 4.55 0.00 3.29 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 2 D 8.67 4.58 0.00 2.78 1.78 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 *4 Y 8.59 4.61 0.00 2.94 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 5 L 8.37 4.10 0.00 1.56 1.48 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 6 I 7.94 3.78 1.72 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.52 0.55 0.00 0.00 7 R 7.83 4.06 0.00 1.85 1.76 0.00 3.30 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 1.55 1.21 0.00 * Residues marked with a * may have inaccurate shift predictions.