NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1332 8.1185 123.5817 52.1388 20.5187 178.5933 *3 A 4.2869 8.0303 124.3562 53.9297 20.7516 179.8320 4 E 3.9451 8.1455 114.6392 59.4907 29.5289 179.2997 5 A 3.9772 8.4547 121.0529 55.0323 18.3395 179.5710 6 A 3.9496 7.9222 118.9054 55.1651 18.4509 179.2924 7 E 3.8556 8.4344 118.0768 59.2679 29.7045 178.9850 8 K 3.9214 8.2453 119.4800 59.4615 32.2010 178.6753 9 A 3.9850 8.1882 120.8589 55.1012 18.2302 179.4857 10 A 3.9688 8.3359 119.5726 55.2279 18.3900 179.9836 11 K 3.9251 8.3745 117.2544 59.7105 32.1431 178.8371 12 Y 4.0185 8.3252 119.6151 60.6907 38.6403 178.0711 13 A 3.9918 8.4849 121.6119 55.1244 18.4114 179.4427 14 A 3.9082 8.3612 119.6124 55.3896 18.4222 179.7165 15 E 3.8285 8.3767 116.9961 59.4132 29.4924 179.5000 16 A 3.8038 7.8933 120.5648 55.0039 18.3410 179.5809 17 A 3.9069 8.1761 119.5458 55.1381 18.4265 179.4466 18 E 3.8290 8.4401 118.1672 59.4225 29.7283 179.1414 19 K 3.8966 8.1994 118.3434 59.4495 31.8576 179.1878 20 A 3.9557 7.8311 119.8250 54.9400 18.3649 179.1805 21 A 4.0802 7.9763 118.4894 55.3985 18.5702 179.7555 22 K 4.1098 7.9917 115.4885 59.2133 32.1750 179.8225 23 A 4.1606 7.8469 119.3958 52.1302 18.5771 177.2219 *25 A 4.0519 8.0744 129.6218 54.0777 19.0372 177.6117 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 4.13 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 8.03 4.29 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 8.15 3.95 0.00 2.12 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 8.45 3.98 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 6 A 7.92 3.95 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 8.43 3.86 0.00 2.13 2.12 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 2.32 2.33 0.00 8 K 8.25 3.92 0.00 1.87 2.01 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.47 7.81 9 A 8.19 3.99 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 10 A 8.34 3.97 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 11 K 8.37 3.93 0.00 2.00 1.91 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.62 7.81 12 Y 8.33 4.02 0.00 3.08 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 13 A 8.48 3.99 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.36 3.91 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 15 E 8.38 3.83 0.00 1.98 1.90 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 2.47 2.44 0.00 16 A 7.89 3.80 1.17 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 0.00 0.00 17 A 8.18 3.91 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.44 3.83 0.00 2.06 2.07 0.00 0.00 0.00 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 8.20 3.90 0.00 1.93 1.81 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.54 7.81 20 A 7.83 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 21 A 7.98 4.08 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.99 4.11 0.00 1.86 1.87 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.54 7.81 23 A 7.85 4.16 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 4.05 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 * Residues marked with a * may have inaccurate shift predictions.