NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.2680 8.3649 120.0200 53.6140 42.3432 174.7804 2 W 4.9275 8.3388 125.0907 53.1684 32.7828 171.8421 3 E 4.3977 8.9829 121.9342 55.4437 31.2036 175.2114 4 Y 4.2982 8.4174 120.5261 57.3684 39.2759 175.0528 5 H 4.2370 7.8675 121.9815 55.3081 29.2990 175.9805 6 A 4.2106 8.0018 124.2279 50.8148 16.4705 175.8092 7 H 3.9782 7.9511 119.8879 55.4246 30.6420 173.5509 8 P 4.4503 0.0000 0.0000 62.0997 32.2909 176.6171 9 K 4.1861 8.0450 119.7303 55.8629 34.1390 176.0127 *11 N 4.8365 8.5700 114.2764 54.0959 40.7124 176.7991 12 S 4.4909 7.6402 112.1026 59.3773 63.0489 175.7217 13 F 3.9219 8.2653 122.3675 60.5447 38.9807 175.4745 14 W 4.7326 7.9988 117.6600 56.9265 29.3317 176.4050 15 T 4.1371 7.7338 121.2708 63.8501 67.8329 174.1749 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 D 8.36 4.27 0.00 2.43 2.38 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.34 4.93 0.00 3.50 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.98 4.40 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 4 Y 8.42 4.30 0.00 2.95 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.87 4.24 0.00 3.13 3.06 0.00 5.58 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 A 8.00 4.21 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.95 3.98 0.00 2.92 3.27 0.00 5.93 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.45 0.00 2.17 1.99 0.00 3.54 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.88 0.00 9 K 8.05 4.19 0.00 1.88 1.79 0.00 1.67 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.54 7.81 *11 N 8.57 4.84 0.00 2.91 2.94 0.00 0.00 7.13 7.76 0.00 0.00 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 7.64 4.49 0.00 4.08 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 13 F 8.27 3.92 0.00 2.71 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 W 8.00 4.73 0.00 3.48 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.73 4.14 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.