NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9196 8.3544 109.7420 46.5738 0.0000 175.9488 3 S 3.2545 9.0415 121.2555 57.1860 62.7082 171.9003 4 D 4.3556 9.6368 120.3280 53.3706 40.2644 176.3990 5 W 4.2107 8.7914 134.6157 56.1878 31.3288 175.9200 6 R 4.6394 7.6987 124.9298 55.1969 31.1280 175.3428 7 F 5.0204 8.3113 113.2603 55.5105 40.9886 173.7084 8 L 4.3541 8.2386 120.8715 53.0043 43.8154 175.8541 9 R 4.5806 7.7106 119.3446 54.2767 32.9949 175.2027 10 G 3.7341 8.1538 111.0753 44.7563 0.0000 173.3306 11 Y 4.5048 7.9042 119.1557 56.9560 39.1617 174.8871 12 H 4.5730 8.6361 118.5747 55.1713 29.5550 176.0465 13 Q 4.1276 8.6009 123.0750 55.8634 29.1671 175.7593 14 Y 3.8517 8.5077 121.7373 57.7153 38.7864 175.7360 *15 A 4.0127 8.0481 129.4327 52.3839 18.9558 175.8529 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 8.35 3.92 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 9.04 3.25 0.00 4.06 3.58 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 9.64 4.36 0.00 2.87 2.79 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 8.79 4.21 0.00 3.49 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 7.70 4.64 0.00 1.64 1.75 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 1.57 1.52 0.00 7 F 8.31 5.02 0.00 3.18 2.97 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 8.24 4.35 0.00 1.57 1.46 0.89 0.67 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 7.71 4.58 0.00 1.48 1.48 0.00 3.16 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.57 0.00 10 G 8.15 3.73 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 7.90 4.50 0.00 3.00 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 8.64 4.57 0.00 3.22 3.27 0.00 5.71 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.60 4.13 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.04 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 14 Y 8.51 3.85 0.00 2.95 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 *15 A 8.05 4.01 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.