NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1367 8.1185 123.5823 52.1437 20.5231 178.4401 *3 A 4.2929 8.0021 124.1989 53.8874 20.7543 179.7628 4 E 3.9388 8.2282 114.5950 59.5038 29.5553 179.3012 5 A 3.9525 8.1313 120.4587 55.1547 18.3918 179.4484 6 A 3.9588 7.9918 118.8137 55.2850 18.3616 179.2706 7 E 3.8794 8.4920 117.9936 59.4188 29.6566 179.2323 8 K 3.9801 8.1441 118.3302 59.3695 32.0459 179.1939 9 A 4.0072 8.1929 120.8389 55.1437 18.2287 179.5650 10 A 3.9744 8.3926 119.6419 55.2360 18.4078 180.0456 11 K 3.9191 8.4414 117.3752 59.5809 32.0521 178.8427 12 Y 3.8897 8.3464 119.7731 60.7175 38.6691 178.0359 13 A 3.9998 8.3879 121.4573 55.1682 18.3803 179.4318 14 A 3.8825 8.2707 119.4424 55.3705 18.4447 179.5492 15 E 3.7740 8.2924 117.6913 59.1713 29.7854 178.8607 16 A 3.7851 7.9335 120.8409 54.9928 18.3399 179.5061 17 A 3.9236 8.1756 119.5314 55.1648 18.3846 179.3937 18 E 3.8259 8.4562 118.2606 59.1547 29.6820 178.8165 19 K 3.7995 8.1786 119.5026 59.5976 32.0194 178.5766 20 A 3.9424 7.6113 118.7256 55.1401 18.3912 179.1315 21 A 4.0755 8.1037 118.5529 55.2216 18.4965 179.7317 22 K 4.1104 8.2798 116.3851 59.2216 32.2039 180.5047 23 A 4.1103 7.6403 119.3167 51.9476 18.4129 177.2194 *25 A 4.0519 8.0760 129.5636 54.0782 19.0371 177.6123 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 8.00 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 8.23 3.94 0.00 2.17 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 2.33 0.00 5 A 8.13 3.95 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 6 A 7.99 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 7 E 8.49 3.88 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 2.36 0.00 8 K 8.14 3.98 0.00 2.02 1.87 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.65 7.81 9 A 8.19 4.01 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 8.39 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 8.44 3.92 0.00 2.06 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 1.59 7.81 12 Y 8.35 3.89 0.00 3.11 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 8.39 4.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 3.88 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 15 E 8.29 3.77 0.00 1.94 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 16 A 7.93 3.79 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 3.92 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 18 E 8.46 3.83 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 2.30 0.00 19 K 8.18 3.80 0.00 1.90 1.95 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.44 7.81 20 A 7.61 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 21 A 8.10 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 8.28 4.11 0.00 1.76 1.87 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.55 7.81 23 A 7.64 4.11 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 8.08 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.