NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1346 8.1185 123.5820 52.1476 20.5361 178.7002 *3 A 4.2733 8.0586 124.2541 53.9340 20.7830 179.7849 4 E 3.9445 8.1779 114.6217 59.5233 29.5231 179.3219 5 A 3.9833 8.4006 120.9351 55.0683 18.3593 179.5549 6 A 3.9527 7.9361 118.8789 55.1123 18.4436 179.2982 7 E 3.8476 8.4171 118.0225 59.2906 29.7638 178.9424 8 K 3.9132 8.1970 119.4195 59.5086 32.2832 178.6131 9 A 3.9951 8.1782 120.7906 55.1345 18.2273 179.4889 10 A 4.0024 8.3036 119.5138 55.2446 18.3905 180.0155 11 K 3.9233 8.3697 117.2260 59.6505 32.0717 178.9001 12 Y 3.9067 8.2013 119.6301 60.6520 38.6615 178.0074 13 A 4.0461 8.3822 121.4689 55.1055 18.3916 179.4069 14 A 3.9135 8.3106 119.4932 55.4430 18.4357 179.7227 15 E 3.8111 8.3375 116.9383 59.4234 29.4728 179.4940 16 A 3.8320 7.9975 120.6468 54.9903 18.3346 179.5657 17 A 3.9098 8.2055 119.5219 55.1339 18.3852 179.3574 18 E 3.8313 8.4180 118.1486 59.5064 29.6681 179.2163 19 K 3.8912 8.2028 118.2507 59.4082 31.8480 179.2099 20 A 3.9465 7.8385 119.9049 54.9627 18.3715 179.1446 21 A 4.0841 7.9936 118.5064 55.3863 18.5504 179.7513 22 K 4.1117 8.0649 115.6316 59.2202 32.1923 180.3793 23 A 4.1282 7.8760 119.4473 51.9845 18.4278 177.2204 *25 A 4.0528 8.0757 129.5945 54.0780 19.0373 177.6116 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 8.06 4.27 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 8.18 3.94 0.00 1.99 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 8.40 3.98 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 6 A 7.94 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 8.42 3.85 0.00 2.11 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 2.32 2.33 0.00 8 K 8.20 3.91 0.00 1.88 1.94 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.49 7.81 9 A 8.18 4.00 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 10 A 8.30 4.00 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 11 K 8.37 3.92 0.00 2.00 1.90 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 1.48 1.63 7.81 12 Y 8.20 3.91 0.00 3.13 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 13 A 8.38 4.05 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.31 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 8.34 3.81 0.00 1.92 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 16 A 8.00 3.83 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.21 3.91 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 18 E 8.42 3.83 0.00 2.06 2.09 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 2.28 2.34 0.00 19 K 8.20 3.89 0.00 1.94 1.81 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.55 7.81 20 A 7.84 3.95 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 21 A 7.99 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 8.06 4.11 0.00 1.85 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 1.55 7.81 23 A 7.88 4.13 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 8.08 4.05 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 * Residues marked with a * may have inaccurate shift predictions.