NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1386 8.1185 123.5829 52.1673 20.5761 178.3594 *3 A 4.2817 8.0056 123.6664 53.8212 20.7160 179.6551 4 E 3.9557 8.2707 114.6020 59.6891 29.4300 179.4252 5 A 4.0242 8.1462 120.4326 54.9307 18.3292 179.4900 6 A 3.9289 7.9635 118.8943 55.2788 18.4620 179.2527 7 E 3.8844 8.5128 118.1115 59.3717 29.7133 179.1146 8 K 4.0205 8.1747 118.2397 59.4606 32.1575 179.0187 9 A 4.0471 8.3888 121.0158 55.3578 18.3416 179.6191 10 A 4.0036 8.4472 119.5718 55.1382 18.3345 180.0128 11 K 3.9254 8.5228 117.5047 59.8177 32.1336 179.1278 12 Y 3.8296 8.3204 116.7977 60.9714 37.7348 178.5807 13 A 4.0423 8.3540 121.4775 55.1596 18.4504 179.5480 14 A 3.9417 8.5486 119.6956 55.2783 18.4166 179.7485 15 E 3.8657 8.4678 117.1151 59.4009 29.5197 179.3938 16 A 3.9802 8.1171 120.5602 55.2420 18.5042 179.6082 17 A 3.9697 8.2350 119.4168 55.1600 18.3196 179.4768 18 E 3.9101 8.6047 118.4232 59.1683 29.6616 178.9495 19 K 3.8823 8.1346 119.5206 59.3802 32.0560 178.5937 20 A 3.9482 7.7840 119.5325 55.2076 18.4266 178.9796 21 A 4.0882 8.2032 118.2634 55.4415 18.4762 179.7637 22 K 4.1291 8.1235 115.9895 59.1727 32.1953 180.4360 23 A 4.0442 7.8461 119.1538 52.0954 18.5573 177.2223 *25 A 4.0565 8.0685 129.3543 54.0826 19.0382 177.6212 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 1.32 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 *3 A 8.01 4.28 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 8.27 3.96 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 5 A 8.15 4.02 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 6 A 7.96 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 8.51 3.88 0.00 2.12 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 2.36 0.00 8 K 8.17 4.02 0.00 2.08 2.03 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.80 7.81 9 A 8.39 4.05 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 8.45 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 8.52 3.93 0.00 1.98 1.74 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.56 7.81 12 Y 8.32 3.83 0.00 3.25 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 8.35 4.04 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 14 A 8.55 3.94 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 15 E 8.47 3.87 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 16 A 8.12 3.98 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 17 A 8.23 3.97 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 8.60 3.91 0.00 2.09 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 2.30 2.31 0.00 19 K 8.13 3.88 0.00 1.94 1.96 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.61 7.81 20 A 7.78 3.95 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 21 A 8.20 4.09 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 22 K 8.12 4.13 0.00 1.94 1.88 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.53 7.81 23 A 7.85 4.04 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 *25 A 8.07 4.06 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.