NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 4.3609 8.3016 109.1322 45.8128 0.0000 172.7409 3 S 4.4716 8.5092 112.2459 55.7694 64.0281 173.0466 4 D 4.5409 8.0972 121.0095 53.3398 40.7259 174.5055 5 W 4.4725 8.8241 134.6377 56.1681 31.2114 175.8609 6 R 4.6282 7.8242 125.0666 55.2932 31.0234 175.3990 7 F 5.0371 8.3701 113.0672 55.4420 41.0061 173.8048 8 L 4.3449 8.2542 120.9310 53.0313 43.6310 175.9660 9 R 4.5979 7.7899 120.1867 54.2401 32.8082 175.5352 10 G 3.6877 8.1355 110.9252 44.6872 0.0000 173.3941 11 Y 4.5674 7.7310 119.3715 57.4485 38.9025 174.8627 12 H 4.6424 8.6124 118.3445 54.9158 29.7094 176.0322 13 Q 4.1528 8.5811 122.8819 55.8304 29.1868 175.7219 14 Y 3.8619 8.5099 121.7636 57.7367 38.9658 175.7938 *15 A 4.0187 8.0578 129.3571 52.4073 18.9567 175.8125 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 4.36 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 4.47 0.00 3.91 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.10 4.54 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 8.82 4.47 0.00 3.48 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 6 R 7.82 4.63 0.00 1.67 1.78 0.00 3.11 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 1.55 0.00 7 F 8.37 5.04 0.00 3.17 2.95 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 8.25 4.34 0.00 1.55 1.44 0.86 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 9 R 7.79 4.60 0.00 1.53 1.58 0.00 3.21 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.61 0.00 10 G 8.14 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 7.73 4.57 0.00 3.04 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 12 H 8.61 4.64 0.00 3.21 3.27 0.00 5.71 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.58 4.15 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.00 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 14 Y 8.51 3.86 0.00 2.94 2.93 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 8.06 4.02 1.14 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.