NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1376 8.1185 123.5822 52.1273 20.4713 178.4949 *3 A 4.2972 7.9893 124.5631 53.8996 20.8204 179.7960 4 E 3.9450 8.1983 114.6562 59.5732 29.5467 179.3135 5 A 3.9981 8.2168 120.5895 54.9992 18.3408 179.5366 6 A 3.9554 7.9416 118.9056 55.2098 18.4463 179.2816 7 E 3.8707 8.5025 118.1206 59.3822 29.7487 179.1847 8 K 3.9578 8.2189 118.2841 59.4372 32.1272 179.1903 9 A 4.0687 8.2081 120.7878 55.1557 18.2540 179.5835 10 A 3.9992 8.3338 119.5137 55.2078 18.3588 180.0378 11 K 3.9396 8.3919 117.2948 59.6347 32.1264 178.8432 12 Y 4.0604 8.2421 119.5965 60.7693 38.6513 178.1853 13 A 3.7488 8.2497 121.3695 54.9236 18.3848 179.4395 14 A 3.8762 8.3392 119.7187 55.3490 18.4803 179.6762 15 E 3.8359 8.4325 117.1974 59.4023 29.5046 179.5402 16 A 3.8018 7.7374 120.4716 55.0708 18.4022 179.5730 17 A 3.8847 8.0525 119.5026 55.2010 18.3373 179.4550 18 E 3.8693 8.4878 118.2370 59.3324 29.7199 179.2126 19 K 3.9140 8.1662 118.3234 59.3291 31.8730 179.1767 20 A 3.9597 7.7458 119.7702 55.1002 18.3931 179.1809 21 A 4.0742 8.1319 118.5384 55.2683 18.5138 179.7229 22 K 4.1104 8.1547 116.0311 59.3249 32.1440 180.1509 23 A 4.0241 7.6700 116.6668 52.6320 18.2248 177.2192 *25 A 4.0516 8.0095 128.9936 53.9590 19.0371 177.5963 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 A 8.12 4.14 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.99 4.30 1.33 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 0.00 0.00 0.00 4 E 8.20 3.95 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 5 A 8.22 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.94 3.96 1.33 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 0.00 0.00 0.00 7 E 8.50 3.87 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 8 K 8.22 3.96 0.00 2.01 1.86 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.61 7.81 9 A 8.21 4.07 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.33 4.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.39 3.94 0.00 2.01 1.91 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.58 7.81 12 Y 8.24 4.06 0.00 3.09 3.24 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 0.00 13 A 8.25 3.75 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.34 3.88 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.43 3.84 0.00 2.01 1.95 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 2.48 2.48 0.00 16 A 7.74 3.80 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.05 3.88 1.33 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 0.00 0.00 0.00 18 E 8.49 3.87 0.00 2.05 2.10 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 2.28 2.33 0.00 19 K 8.17 3.91 0.00 1.94 1.82 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.54 7.81 20 A 7.75 3.96 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.13 4.07 1.33 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 0.00 0.00 0.00 22 K 8.15 4.11 0.00 1.85 1.88 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.55 7.81 23 A 7.67 4.02 1.33 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 0.00 0.00 0.00 *25 A 8.01 4.05 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.