NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1359 8.1185 123.5822 52.1410 20.5516 178.1893 *3 A 4.2734 7.9340 123.7924 53.6245 20.7343 179.6335 4 E 3.9457 8.2329 114.6114 59.6320 29.4408 179.3741 5 A 3.9905 8.2629 120.5828 54.9229 18.3864 179.4853 6 A 3.9184 7.9573 118.8932 55.2605 18.4418 179.2137 7 E 3.8803 8.4729 118.0716 59.4002 29.7385 179.1993 8 K 3.9525 8.2105 118.1843 59.4763 32.1179 179.1785 9 A 4.0681 8.2939 120.9634 55.2456 18.2365 179.6050 10 A 4.0050 8.2916 119.3197 55.0538 18.3973 179.9984 11 K 3.9122 8.4024 117.4509 59.7055 32.0209 178.9280 12 Y 4.0788 8.2078 119.5606 60.6736 38.6927 177.8283 13 A 3.7144 8.3045 121.5671 55.0783 18.3817 179.4761 14 A 3.9580 8.3006 121.9155 55.7910 18.4221 180.3990 15 E 3.8444 8.3089 116.7069 61.2291 29.9658 181.3312 16 A 4.0169 7.8874 122.2120 54.8225 18.2813 179.6685 17 A 3.9223 8.2489 119.7220 55.0751 18.3647 179.4966 18 E 3.8419 8.3020 118.2340 59.2494 29.7053 179.1716 19 K 3.9029 8.1668 118.3567 59.3714 31.9081 179.1173 20 A 3.9463 7.6133 119.0394 55.1413 18.3993 179.1338 21 A 4.0742 8.0178 118.3163 55.3828 18.5119 179.7625 22 K 4.1265 8.0575 115.7840 59.2138 32.1188 179.9255 23 A 4.0267 7.6496 116.6950 52.7206 18.1576 177.2146 *25 A 4.0514 7.9956 128.8971 53.9104 19.0371 177.5793 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 7.93 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 8.23 3.95 0.00 2.16 2.02 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 2.40 2.33 0.00 5 A 8.26 3.99 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 6 A 7.96 3.92 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 7 E 8.47 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 2.37 0.00 8 K 8.21 3.95 0.00 2.06 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.63 7.81 9 A 8.29 4.07 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 10 A 8.29 4.00 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 11 K 8.40 3.91 0.00 2.07 1.91 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.60 7.81 12 Y 8.21 4.08 0.00 2.99 3.18 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 13 A 8.30 3.71 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 14 A 8.30 3.96 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 8.31 3.84 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.20 0.00 16 A 7.89 4.02 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 3.92 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 18 E 8.30 3.84 0.00 2.07 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 2.33 0.00 19 K 8.17 3.90 0.00 1.98 1.82 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.62 7.81 20 A 7.61 3.95 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 8.02 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 22 K 8.06 4.13 0.00 1.93 1.87 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.54 7.81 23 A 7.65 4.03 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 8.00 4.05 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 * Residues marked with a * may have inaccurate shift predictions.