NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1368 8.1185 123.5822 52.1391 20.5131 178.4244 *3 A 4.2989 7.9922 124.2753 53.8706 20.7890 179.7414 4 E 3.9457 8.2307 114.6078 59.5493 29.5115 179.3536 5 A 3.9701 8.1369 120.4643 55.0507 18.3822 179.3193 6 A 3.9373 8.0435 118.8596 55.4301 18.3062 179.2848 7 E 3.8724 8.5099 117.9228 59.4590 29.6979 179.2379 8 K 3.9871 8.2120 118.3026 59.3541 32.0416 179.2681 9 A 4.0260 8.1448 120.9789 55.0525 18.2296 179.5387 10 A 3.9831 8.3185 119.5589 55.3169 18.4463 180.0829 11 K 3.9400 8.4758 117.3737 59.5018 32.1049 178.9565 12 Y 3.9814 8.3003 119.7762 60.6467 38.6868 178.0709 13 A 3.9527 8.3362 121.4550 55.2217 18.4427 179.4789 14 A 3.9491 8.2550 119.4652 55.3273 18.4242 179.6969 15 E 3.8551 8.3121 116.9123 59.0899 29.6618 179.2878 16 A 3.8128 7.8054 120.8492 54.8915 18.3059 179.5217 17 A 3.9046 8.2757 119.7831 55.3192 18.4778 179.5372 18 E 3.8542 8.3521 118.1058 59.0396 29.6610 178.9353 19 K 3.8793 8.1423 119.6765 59.3787 32.0434 178.6771 20 A 3.9501 7.6766 119.3906 55.1105 18.3760 179.1342 21 A 4.0719 8.0221 118.6461 55.3026 18.5141 179.7784 22 K 4.1128 8.4927 116.2497 58.9795 32.2962 179.4916 23 A 4.1855 7.6543 121.1477 51.8581 18.5847 177.2005 *25 A 4.0513 8.0773 129.8845 53.9344 19.0370 177.5353 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 7.99 4.30 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 2.17 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 8.14 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 8.04 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 7 E 8.51 3.87 0.00 2.13 2.13 0.00 0.00 0.00 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 8.21 3.99 0.00 2.02 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 1.63 7.81 9 A 8.14 4.03 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 8.32 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 11 K 8.48 3.94 0.00 1.98 1.90 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.60 7.81 12 Y 8.30 3.98 0.00 3.08 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 8.34 3.95 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.26 3.95 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 8.31 3.86 0.00 1.81 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 16 A 7.81 3.81 1.12 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 0.00 0.00 17 A 8.28 3.90 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 18 E 8.35 3.85 0.00 2.00 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 2.28 2.29 0.00 19 K 8.14 3.88 0.00 1.90 1.90 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.43 7.81 20 A 7.68 3.95 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 21 A 8.02 4.07 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 8.49 4.11 0.00 1.87 1.87 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.52 7.81 23 A 7.65 4.19 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 *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.