NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1359 8.1185 123.5820 52.1311 20.4827 178.5959 *3 A 4.2756 8.0181 124.5272 53.9207 20.8277 179.7893 4 E 3.9417 8.1848 114.6392 59.5628 29.4744 179.3358 5 A 3.9990 8.2715 120.6785 55.0037 18.3405 179.5525 6 A 3.9228 7.9318 118.9202 55.1440 18.4418 179.2601 7 E 3.8681 8.4614 118.0731 59.4391 29.7645 179.2305 8 K 3.9793 8.1682 118.2540 59.3193 32.0457 179.1608 9 A 3.9903 8.2458 120.8879 55.2183 18.2979 179.5899 10 A 3.9753 8.3054 119.5079 55.2079 18.3543 179.9725 11 K 3.9299 8.4817 117.4587 59.7047 32.1346 178.8354 12 Y 3.9548 8.2157 119.5211 60.7220 38.6551 178.1012 13 A 4.0325 8.4520 121.5320 55.1567 18.4278 179.4937 14 A 3.9289 8.3799 119.7281 55.2653 18.4430 179.7154 15 E 3.8367 8.4428 117.2029 59.4373 29.5183 179.5165 16 A 3.8389 7.8578 120.5718 54.9779 18.3654 179.5278 17 A 3.9064 8.2497 119.7187 55.2729 18.3892 179.4848 18 E 3.8617 8.5444 118.2391 59.3136 29.6885 179.1497 19 K 3.9246 8.1085 118.3681 59.3893 31.8644 179.1922 20 A 3.9599 7.7738 119.8122 55.0536 18.3822 179.1989 21 A 4.0766 8.1181 118.6864 55.3158 18.5203 179.7578 22 K 4.1172 8.3049 116.2817 59.1485 32.1124 180.0998 23 A 4.0705 7.6766 118.5486 52.2296 18.3370 177.2064 *25 A 4.0522 8.0507 129.3384 54.0642 19.0372 177.6232 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 8.02 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 8.18 3.94 0.00 2.14 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 8.27 4.00 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 6 A 7.93 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 7 E 8.46 3.87 0.00 2.12 2.10 0.00 0.00 0.00 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 3.98 0.00 2.01 1.85 0.00 1.72 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 1.66 7.81 9 A 8.25 3.99 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 10 A 8.31 3.98 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 11 K 8.48 3.93 0.00 1.99 1.91 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 1.48 1.60 7.81 12 Y 8.22 3.95 0.00 3.10 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 4.03 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.38 3.93 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 8.44 3.84 0.00 1.93 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 2.47 2.42 0.00 16 A 7.86 3.84 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 1.32 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 18 E 8.54 3.86 0.00 2.05 2.10 0.00 0.00 0.00 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 8.11 3.92 0.00 1.96 1.81 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.60 7.81 20 A 7.77 3.96 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 21 A 8.12 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 8.30 4.12 0.00 1.84 1.87 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.55 7.81 23 A 7.68 4.07 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 *25 A 8.05 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.