NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.7550 8.4549 115.5919 55.3899 43.9349 171.8779 2 K 4.4792 8.5625 118.3849 53.5145 33.7302 175.8606 3 S 4.5717 8.9361 117.4291 58.7025 65.0494 177.8369 *5 G 3.9887 8.9251 115.0819 47.1523 0.0000 172.3073 6 S 4.4318 8.0679 117.0443 58.1081 64.2486 173.9689 7 S 4.4829 8.7577 119.7980 59.4325 62.7006 172.3208 8 C 5.1003 9.2369 119.5009 53.5946 43.4748 174.7305 9 S 4.2623 7.8742 114.0607 57.5674 65.0195 174.1733 *11 T 4.1567 8.3968 108.0784 62.1431 70.1847 175.3090 12 S 4.1541 7.8833 115.0585 59.2712 63.5611 173.3094 13 Y 3.6200 6.6493 116.9347 58.8654 36.0092 170.5241 14 N 4.7709 7.7976 111.1464 53.8208 38.1477 175.1480 15 C 5.5782 7.8021 114.1445 56.1954 43.9003 175.4915 16 C 4.3887 9.0840 119.6475 59.7461 39.8716 174.6376 17 R 4.8560 7.7100 118.1105 54.2283 31.4497 176.0736 18 S 4.3165 8.8928 118.7824 57.6130 64.7046 174.2142 19 C 4.5750 9.0282 122.3038 56.3182 41.4019 173.4545 20 N 3.8930 8.3324 126.2520 53.4803 39.3642 174.0159 *22 Y 4.3544 8.3015 114.1050 57.6877 39.5954 176.2451 23 T 4.3263 7.8211 106.5550 60.5986 70.2493 174.5979 24 K 3.9012 8.0759 121.2091 57.3511 30.1534 174.9091 25 R 5.0502 7.4227 116.0061 54.2837 34.3468 175.5400 26 C 4.5870 8.6530 121.5181 57.0490 40.9647 173.5273 27 Y 4.6275 8.4227 120.1481 58.4854 37.0502 176.0242 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 C 8.45 4.75 0.00 2.96 3.23 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.56 4.48 0.00 1.88 1.75 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.39 1.48 7.81 3 S 8.94 4.57 0.00 3.78 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 *5 G 8.93 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.07 4.43 0.00 3.88 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.76 4.48 0.00 3.73 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.24 5.10 0.00 2.80 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.87 4.26 0.00 4.04 3.99 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 0.00 0.00 0.00 *11 T 8.40 4.16 4.19 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 1.14 0.00 0.00 12 S 7.88 4.15 0.00 3.97 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 13 Y 6.65 3.62 0.00 3.18 3.04 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 0.00 0.00 0.00 14 N 7.80 4.77 0.00 2.87 3.03 0.00 0.00 5.89 7.65 0.00 0.00 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 C 7.80 5.58 0.00 2.99 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 C 9.08 4.39 0.00 2.98 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.71 4.86 0.00 2.03 1.98 0.00 3.30 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 18 S 8.89 4.32 0.00 4.13 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 19 C 9.03 4.57 0.00 2.92 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 20 N 8.33 3.89 0.00 1.44 2.48 0.00 0.00 6.79 7.41 0.00 0.00 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 Y 8.30 4.35 0.00 3.21 3.11 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 0.00 0.00 0.00 0.00 23 T 7.82 4.33 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 1.28 0.00 0.00 24 K 8.08 3.90 0.00 2.02 1.89 0.00 1.40 0.00 0.00 1.55 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.45 7.81 25 R 7.42 5.05 0.00 1.64 1.71 0.00 3.13 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 26 C 8.65 4.59 0.00 2.99 3.22 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 0.00 0.00 0.00 27 Y 8.42 4.63 0.00 2.95 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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.