NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2692 8.3645 123.5821 51.9468 19.9476 176.9169 *2 Y 4.0115 8.2579 118.9191 55.7828 37.6777 176.1988 3 R 4.2004 8.9611 123.7115 55.0300 31.5821 173.5560 *13 L 4.1707 8.0321 113.5166 56.3078 42.6221 176.7422 14 V 4.3895 8.1790 121.3226 61.0348 33.9567 174.2914 15 D 4.7746 8.5717 125.9231 53.2743 41.8561 176.2317 16 T 4.6103 8.1351 120.4866 61.6572 71.0708 174.6984 17 L 4.1087 8.5268 125.2400 57.6574 42.5214 176.8833 18 Q 4.2628 7.8998 120.1907 55.9487 29.1114 175.2818 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 A 8.36 4.27 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.26 4.01 0.00 2.43 2.09 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 3 R 8.96 4.20 0.00 1.82 1.80 0.00 3.26 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 *13 L 8.03 4.17 0.00 1.65 1.67 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.18 4.39 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 0.84 0.00 0.00 0.93 0.00 0.00 15 D 8.57 4.77 0.00 2.70 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.14 4.61 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 1.28 0.00 0.00 17 L 8.53 4.11 0.00 1.60 1.68 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 7.90 4.26 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.42 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.