NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.3135 8.0433 120.6276 55.0196 44.2405 178.4112 4 D 4.1967 8.2322 118.2541 57.2606 40.6146 175.4271 5 E 3.9675 8.6945 120.3736 59.8108 30.0597 179.1737 6 A 4.0869 8.0259 119.8113 54.7704 18.2504 178.2803 7 E 4.4926 8.2953 114.9990 56.7786 29.6075 177.3690 8 R 4.4746 7.6960 120.4141 58.1616 31.3268 178.1476 9 Q 4.0474 8.3486 117.9929 58.4264 28.5807 178.3268 10 W 3.9437 8.1876 129.0282 60.5292 30.6085 177.6995 11 K 3.8069 8.6885 118.8073 59.8448 31.4684 178.0512 12 A 4.0831 7.7245 120.3398 54.6858 18.3969 179.3755 13 E 3.8663 7.9436 117.3662 59.0518 29.5034 179.1145 14 F 3.5464 7.7293 121.1851 61.1487 39.3569 176.4047 15 H 4.1495 7.9187 117.6639 59.4321 29.4450 176.7715 16 R 3.7812 7.5321 118.7874 59.2592 30.0560 177.7045 17 W 3.8832 8.1838 128.0841 60.6458 30.4208 177.6926 18 S 3.7175 8.2129 114.0103 61.8835 62.6101 176.9642 19 S 4.2231 8.0124 116.2957 61.1258 62.4457 175.8369 20 Y 4.3202 7.8292 119.1972 58.3312 37.0667 177.8545 *22 V 4.0024 7.7413 121.3103 63.4068 33.1192 177.0791 23 H 4.5208 8.1157 114.5382 57.6316 28.2048 177.1296 24 W 4.4779 7.9408 131.0631 60.0031 30.5614 177.8275 25 K 2.9265 8.3204 118.8816 59.7273 31.8912 177.2901 26 N 4.3059 7.8650 116.7657 56.4023 38.6611 176.1280 27 Q 3.9699 7.6918 120.4565 57.3309 29.0479 176.8737 28 F 4.0230 7.3098 123.6987 57.3142 39.3808 174.9577 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 3 L 8.04 4.31 0.00 1.71 1.91 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.23 4.20 0.00 2.77 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.69 3.97 0.00 2.02 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 0.00 2.42 2.41 0.00 6 A 8.03 4.09 1.38 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 0.00 0.00 7 E 8.30 4.49 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 8 R 7.70 4.47 0.00 2.20 1.93 0.00 3.26 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 9 Q 8.35 4.05 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.69 0.00 10 W 8.19 3.94 0.00 3.63 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.69 3.81 0.00 2.10 2.05 0.00 1.76 0.00 0.00 1.97 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.58 1.65 7.81 12 A 7.72 4.08 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.94 3.87 0.00 1.80 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 14 F 7.73 3.55 0.00 1.72 2.76 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 0.00 0.00 0.00 0.00 15 H 7.92 4.15 0.00 3.33 3.53 0.00 5.86 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.53 3.78 0.00 1.80 1.99 0.00 3.24 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.56 0.00 17 W 8.18 3.88 0.00 3.11 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 18 S 8.21 3.72 0.00 3.95 3.90 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 19 S 8.01 4.22 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.83 4.32 0.00 2.87 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 *22 V 7.74 4.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.89 0.00 0.00 23 H 8.12 4.52 0.00 3.22 3.27 0.00 5.72 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 W 7.94 4.48 0.00 3.47 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.32 2.93 0.00 1.89 1.85 0.00 1.90 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.37 7.81 26 N 7.87 4.31 0.00 2.92 2.87 0.00 0.00 7.04 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 7.69 3.97 0.00 1.59 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.50 0.00 0.00 0.00 0.00 0.00 2.25 2.49 0.00 28 F 7.31 4.02 0.00 2.32 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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.