NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1363 8.1185 123.5820 52.1296 20.4764 178.6516 *3 A 4.2697 8.0251 124.5860 53.9051 20.7925 179.8035 4 E 3.9477 8.1451 114.6643 59.4606 29.4760 179.3024 5 A 3.9691 8.3211 120.8086 54.9483 18.3920 179.4671 6 A 3.9214 7.9493 118.8541 55.2786 18.4731 179.2622 7 E 3.8698 8.4074 117.9270 59.4760 29.7026 179.1996 8 K 3.9816 8.2550 118.3008 59.3555 32.0651 179.2547 9 A 3.9776 8.2654 120.9038 55.0927 18.2447 179.5537 10 A 3.9830 8.2308 119.4213 55.3082 18.4491 180.0545 11 K 3.9322 8.3310 117.1485 59.5764 32.0408 178.9027 12 Y 3.9355 8.3326 119.7215 60.7070 38.6435 178.0504 13 A 4.0286 8.3972 121.4426 55.1765 18.3934 179.4396 14 A 3.9155 8.3175 119.4732 55.3536 18.4414 179.7636 15 E 3.8149 8.2970 116.8952 59.4628 29.5093 179.4919 16 A 3.8256 7.9834 120.7188 54.9550 18.3603 179.5696 17 A 3.9094 8.2452 119.6454 55.1340 18.3555 179.3899 18 E 3.8505 8.4491 118.1924 59.4660 29.6873 179.2334 19 K 3.9003 8.1840 118.2500 59.3447 31.8482 179.2144 20 A 3.9438 7.7982 119.8971 55.0196 18.3923 179.1040 21 A 4.0841 8.1256 118.5727 55.3509 18.5238 179.7472 22 K 4.1040 8.1155 115.7292 59.2542 32.2503 180.9257 23 A 4.1006 7.8325 119.7950 51.8065 18.4489 177.2175 *25 A 4.0526 8.0833 129.5960 54.0641 19.0373 177.6002 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 8.03 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 8.15 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 8.32 3.97 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 7.95 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 7 E 8.41 3.87 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 8.26 3.98 0.00 2.04 1.86 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.61 7.81 9 A 8.27 3.98 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 8.23 3.98 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 8.33 3.93 0.00 2.02 1.90 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.60 7.81 12 Y 8.33 3.94 0.00 3.08 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 8.40 4.03 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 8.32 3.92 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 15 E 8.30 3.81 0.00 1.95 1.86 0.00 0.00 0.00 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 2.41 0.00 16 A 7.98 3.83 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 8.25 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 8.45 3.85 0.00 2.06 2.08 0.00 0.00 0.00 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 8.18 3.90 0.00 1.94 1.81 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.53 7.81 20 A 7.80 3.94 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 21 A 8.13 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 8.12 4.10 0.00 1.84 1.87 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.55 7.81 23 A 7.83 4.10 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 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.