NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.2088 8.2501 120.8599 55.8788 31.2749 174.8974 5 A 4.0357 8.3681 126.0672 50.9818 19.2060 171.7631 6 V 4.2913 8.7940 122.2070 60.6667 34.0611 174.1342 7 E 4.0995 8.6576 126.4548 56.5315 29.9684 176.7427 8 N 4.5681 8.4208 119.3404 53.2552 39.3758 175.2052 9 Q 4.1250 8.2284 119.9463 55.6724 29.7140 175.5882 *11 S 4.3267 8.1194 115.8595 58.9370 64.1833 173.9676 12 F 4.0605 8.3918 121.8894 59.2117 39.0527 173.2184 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 4 R 8.25 4.21 0.00 1.77 1.90 0.00 3.25 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.70 0.00 5 A 8.37 4.04 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 6 V 8.79 4.29 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 0.86 0.00 0.00 0.93 0.00 0.00 7 E 8.66 4.10 0.00 2.00 1.88 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 2.32 2.29 0.00 8 N 8.42 4.57 0.00 2.72 2.76 0.00 0.00 7.02 7.69 0.00 0.00 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 Q 8.23 4.12 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 *11 S 8.12 4.33 0.00 3.91 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 12 F 8.39 4.06 0.00 2.91 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 * Residues marked with a * may have inaccurate shift predictions.