NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3762 8.2549 119.7064 56.1904 31.3552 174.5592 2 D 4.6492 8.1551 120.8024 52.2436 45.1723 175.4854 3 C 4.5915 9.0830 118.8148 59.1904 41.2612 174.2723 4 C 4.6055 7.6323 109.7023 55.1622 41.2087 174.8545 5 T 4.1041 7.8263 116.0814 64.2107 67.7151 173.9170 *8 K 4.2621 7.6220 119.8686 56.9845 33.8568 176.3872 9 K 4.6487 8.3448 118.6870 56.3298 33.4517 175.0735 10 C 5.3227 7.8211 115.9444 57.2276 41.2249 174.6142 11 K 4.5254 7.9704 115.3267 56.3567 32.0757 176.0298 12 D 4.9420 7.5795 117.4963 52.3770 44.9221 175.6809 13 R 4.0253 8.5218 119.9646 59.0925 30.2189 176.5039 14 Q 4.5051 7.9571 116.6778 56.1427 28.8331 176.3253 15 C 4.9663 7.9334 108.9913 56.7829 37.9597 174.1361 16 K 4.3129 7.8849 118.9574 56.2687 32.4471 175.6524 *18 Q 4.1444 7.9724 119.7728 55.8455 29.3379 175.6804 19 R 3.9331 8.7785 125.6252 59.2875 30.2549 175.5157 20 C 4.7565 7.9548 111.2258 55.3221 41.5411 174.6841 21 C 4.7905 7.8300 117.5448 57.9473 48.9921 174.2104 22 A 4.1668 8.1618 129.1478 53.0100 17.8539 177.3784 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 R 8.25 4.38 0.00 1.82 1.94 0.00 3.16 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 2 D 8.16 4.65 0.00 2.72 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.08 4.59 0.00 2.98 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.63 4.61 0.00 2.85 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.83 4.10 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 *8 K 7.62 4.26 0.00 1.77 1.91 0.00 1.83 0.00 0.00 2.29 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.55 1.40 7.81 9 K 8.34 4.65 0.00 1.73 1.64 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.40 7.81 10 C 7.82 5.32 0.00 2.99 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 11 K 7.97 4.53 0.00 1.73 1.81 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.44 7.81 12 D 7.58 4.94 0.00 2.58 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.52 4.03 0.00 1.77 1.95 0.00 3.22 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 14 Q 7.96 4.51 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.94 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 15 C 7.93 4.97 0.00 2.93 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.88 4.31 0.00 1.96 1.79 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.62 7.81 *18 Q 7.97 4.14 0.00 2.28 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.31 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 19 R 8.78 3.93 0.00 1.83 2.03 0.00 3.25 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 20 C 7.95 4.76 0.00 3.07 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.83 4.79 0.00 3.26 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 22 A 8.16 4.17 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.