NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8369 8.2127 109.7441 45.5243 0.0000 176.2080 *3 V 3.8789 8.5910 123.3567 61.6418 32.6687 174.8781 4 E 4.5746 8.0131 116.9204 55.7020 31.1897 176.7270 5 Q 4.2561 7.7609 116.2284 58.4383 29.1126 176.2672 6 C 4.8071 7.9697 115.2097 57.1392 41.0666 174.0839 7 C 4.3623 7.8837 117.7898 60.5459 29.2897 175.6953 8 T 4.1056 7.8396 110.8189 63.3526 69.1544 175.0052 9 S 4.6919 7.4702 115.0135 55.7596 65.4015 172.6708 10 I 4.6357 7.9219 113.5212 59.3605 39.6526 175.3411 11 C 5.1118 8.3355 118.5778 55.3242 36.7101 174.9843 12 S 4.4610 8.9256 119.5923 57.4271 65.2077 174.9929 13 L 3.8395 8.1473 121.9309 58.4759 41.2662 178.4081 14 Y 4.2622 7.3758 115.4739 61.2228 38.3985 177.7457 15 Q 4.2457 8.0123 118.6948 58.9178 28.8235 178.6741 16 L 4.4151 8.0531 119.5824 57.3744 41.1455 178.8990 17 E 4.0899 8.0465 118.9850 58.8157 29.3104 178.2583 18 N 4.3390 7.6872 114.1764 55.5330 38.7120 175.2504 19 Y 4.6527 7.6182 114.3332 57.8007 38.1498 175.0129 20 C 4.7676 7.3635 116.3572 58.1437 30.1784 173.8130 21 N 4.5427 8.5854 118.4569 53.7293 38.2354 175.2778 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 G 8.21 3.84 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 0.00 0.00 0.00 *3 V 8.59 3.88 2.04 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 0.76 0.00 0.00 0.86 0.00 0.00 4 E 8.01 4.57 0.00 1.91 1.89 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 2.16 2.24 0.00 5 Q 7.76 4.26 0.00 2.26 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.55 0.00 0.00 0.00 0.00 0.00 2.56 2.38 0.00 6 C 7.97 4.81 0.00 2.87 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 7 C 7.88 4.36 0.00 3.03 2.94 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 T 7.84 4.11 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 1.21 0.00 0.00 9 S 7.47 4.69 0.00 3.99 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 10 I 7.92 4.64 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.71 0.91 0.00 0.00 11 C 8.34 5.11 0.00 2.98 3.08 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 0.00 0.00 0.00 0.00 12 S 8.93 4.46 0.00 4.12 4.10 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 13 L 8.15 3.84 0.00 1.50 1.02 0.79 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.38 4.26 0.00 3.06 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 Q 8.01 4.25 0.00 2.19 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 16 L 8.05 4.42 0.00 1.93 1.77 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.05 4.09 0.00 2.25 2.22 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 2.33 2.37 0.00 18 N 7.69 4.34 0.00 2.29 2.41 0.00 0.00 6.91 7.34 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 19 Y 7.62 4.65 0.00 3.12 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 20 C 7.36 4.77 0.00 3.01 2.86 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 21 N 8.59 4.54 0.00 2.72 2.73 0.00 0.00 6.81 7.56 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.