NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1367 8.1185 123.5821 52.1222 21.0346 178.5368 *3 A 4.3079 7.7985 117.9462 52.3656 20.7532 178.4087 4 E 4.0210 8.1005 114.7324 59.4446 29.5327 179.2515 5 A 4.0079 8.1024 120.7433 54.8787 18.4004 179.5729 6 A 3.9369 7.9141 118.9555 55.2981 18.5176 179.2528 7 E 3.8774 8.6230 118.3243 59.2209 29.6849 179.0217 8 K 3.9327 8.1260 119.4810 59.3585 32.2157 178.6628 9 A 4.0057 8.1670 120.8367 55.1699 18.2605 179.4029 10 A 3.9659 8.1807 119.3086 55.3716 18.4130 180.0133 11 K 3.9184 8.3173 117.0751 59.6484 32.1123 178.9819 12 Y 3.9879 8.2236 119.6021 60.6449 38.6933 177.8666 13 A 3.9903 8.4977 121.7736 55.2533 18.4012 179.5094 14 A 3.9105 8.2284 119.4185 55.2972 18.4349 179.7624 15 E 3.8145 8.3741 117.0928 59.2795 29.4314 179.4049 16 A 3.8221 7.7600 120.8339 54.6846 18.3774 179.5396 17 A 3.8630 8.1100 119.5426 55.3211 18.5258 179.4132 18 E 3.8771 8.3599 118.0770 59.3536 29.6074 179.1382 19 K 3.9147 8.1283 118.2524 59.4437 31.8893 179.1803 20 A 3.9402 7.7829 119.6901 54.9911 18.3595 179.0975 21 A 4.0756 8.1637 118.7873 55.4414 18.5233 179.7835 22 K 4.1348 7.8896 115.6119 59.1168 32.1302 179.5490 23 A 4.1281 7.8360 118.0978 52.4800 18.2768 177.2085 *25 A 4.0518 8.0219 129.2097 54.0062 19.0371 177.6109 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 1.33 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 *3 A 7.80 4.31 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 8.10 4.02 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 8.10 4.01 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 6 A 7.91 3.94 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 8.62 3.88 0.00 2.07 2.11 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 2.32 2.33 0.00 8 K 8.13 3.93 0.00 2.01 1.95 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.47 7.81 9 A 8.17 4.01 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 10 A 8.18 3.97 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 8.32 3.92 0.00 2.00 1.91 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.60 7.81 12 Y 8.22 3.99 0.00 3.00 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 13 A 8.50 3.99 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 14 A 8.23 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 15 E 8.37 3.81 0.00 1.91 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 16 A 7.76 3.82 1.12 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 0.00 0.00 17 A 8.11 3.86 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 8.36 3.88 0.00 2.04 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 8.13 3.91 0.00 2.03 1.80 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.42 7.81 20 A 7.78 3.94 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 8.16 4.08 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 22 K 7.89 4.13 0.00 1.87 1.87 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.53 7.81 23 A 7.84 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 8.02 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.