NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1365 8.1185 123.5820 52.1272 20.5209 178.2134 *3 A 4.3061 7.9160 124.1110 53.6610 20.6484 179.7500 4 E 3.9454 8.1633 114.6719 59.4014 29.4259 179.2412 5 A 3.9466 8.4420 121.0148 55.1603 18.4995 179.4980 6 A 3.9277 7.9744 118.8151 55.1853 18.4278 179.3134 7 E 3.8855 8.3463 117.9456 59.3831 29.7817 179.2255 8 K 3.9741 8.3611 118.5461 59.4419 32.0504 179.1913 9 A 4.0238 8.3713 121.1288 55.1573 18.2290 179.5552 10 A 3.9716 8.1826 119.2668 55.3044 18.4586 180.0543 11 K 3.9626 8.3413 117.1310 59.5300 32.0713 179.0272 12 Y 3.9293 8.2557 119.6852 60.6296 38.7134 177.8275 13 A 4.0273 8.4844 121.7750 55.2252 18.4142 179.4491 14 A 3.8944 8.3695 119.6116 55.2707 18.4654 179.5246 15 E 3.7668 8.2851 117.6500 59.1704 29.7448 178.9068 16 A 3.8062 7.8549 120.6434 55.0980 18.4643 179.5244 17 A 3.9287 8.1609 119.5020 55.0664 18.3537 179.4035 18 E 3.8551 8.3673 118.0912 59.5318 29.6367 179.3392 19 K 3.9975 8.1413 118.2138 59.2249 31.8128 179.3203 20 A 3.9321 7.7591 120.1290 54.9297 18.3853 179.0776 21 A 4.0848 8.2108 118.6563 55.4215 18.5323 179.7519 22 K 4.1043 8.2486 115.8561 59.1820 32.2398 180.7136 23 A 4.0983 7.9669 120.6283 51.7161 18.4787 177.2199 *25 A 4.0523 8.0865 129.6203 54.0466 19.0373 177.5893 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 7.92 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 8.16 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 8.44 3.95 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 3.93 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 8.35 3.89 0.00 2.13 2.14 0.00 0.00 0.00 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 8.36 3.97 0.00 1.97 1.86 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.47 7.81 9 A 8.37 4.02 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 1.40 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 8.34 3.96 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 3.12 0.00 0.00 0.00 0.00 1.47 1.62 7.81 12 Y 8.26 3.93 0.00 3.10 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 4.03 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 8.37 3.89 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 15 E 8.29 3.77 0.00 2.11 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 16 A 7.85 3.81 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 8.16 3.93 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 8.37 3.86 0.00 2.07 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 2.33 0.00 19 K 8.14 4.00 0.00 1.80 1.80 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.59 7.81 20 A 7.76 3.93 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 8.21 4.08 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 22 K 8.25 4.10 0.00 1.82 1.87 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.55 7.81 23 A 7.97 4.10 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 8.09 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.