NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 4.1473 8.3016 109.1308 45.8992 0.0000 173.6852 3 S 4.4326 8.5135 115.8308 55.6189 64.0583 172.7593 4 D 4.5690 8.0966 120.6794 52.9632 40.7222 174.6980 5 W 4.1798 8.8662 134.8630 56.6035 31.0175 175.7942 6 R 4.6517 7.7910 125.0962 55.2859 31.1008 175.4426 7 F 5.0244 8.1883 112.9776 55.5759 40.8573 173.8039 8 L 4.4043 8.2951 121.2462 53.1632 43.6301 175.9129 9 R 4.7383 8.0034 119.5965 54.3111 32.9092 175.4214 10 G 3.8783 8.4282 112.0658 45.0385 0.0000 173.0366 11 Y 4.2339 8.2746 122.9253 56.7041 39.8170 174.4725 12 H 4.4220 7.3921 120.0207 54.8182 29.4863 175.9530 13 Q 4.1443 8.5601 123.1943 55.8303 29.1804 175.7148 14 Y 3.8572 8.5610 122.0230 57.7916 39.0284 175.8347 *15 A 4.0009 8.0428 129.2996 52.4019 18.9535 175.8063 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 G 8.30 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.51 4.43 0.00 3.89 3.83 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 D 8.10 4.57 0.00 2.93 2.84 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 W 8.87 4.18 0.00 3.52 3.14 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 R 7.79 4.65 0.00 1.67 1.77 0.00 3.12 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 7 F 8.19 5.02 0.00 3.20 3.03 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 8 L 8.30 4.40 0.00 1.65 1.57 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.00 4.74 0.00 1.67 1.73 0.00 3.26 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 10 G 8.43 3.88 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 0.00 0.00 0.00 11 Y 8.27 4.23 0.00 2.92 2.96 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 0.00 0.00 0.00 12 H 7.39 4.42 0.00 2.90 3.11 0.00 5.76 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.56 4.14 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.99 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 14 Y 8.56 3.86 0.00 2.96 2.96 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 0.00 0.00 0.00 *15 A 8.04 4.00 1.13 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 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.