NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8302 8.2133 109.7200 45.2613 0.0000 174.2284 3 K 3.5782 8.5196 119.3750 57.6512 31.9861 175.6543 4 G 3.5508 7.6600 106.8592 45.0518 0.0000 173.1740 5 D 4.5183 8.3933 121.5598 52.3290 40.2204 176.3968 6 R 3.9796 8.6016 123.8384 59.3926 29.3208 178.0677 7 R 3.5210 7.6006 116.6354 55.5958 30.1072 176.1437 8 T 4.6655 7.2607 106.6606 58.9177 73.5226 173.3542 9 R 4.0351 8.4942 120.3689 60.0063 30.1741 178.7350 10 R 4.1199 8.0657 117.3331 59.0216 29.9550 179.0961 11 G 4.2468 8.0334 107.0948 47.2561 0.0000 175.9993 12 K 4.0234 8.1062 120.7456 59.8336 32.1005 178.7844 13 I 3.5198 7.7949 119.6711 64.2626 36.7041 177.7108 14 W 4.1253 8.4765 130.5186 60.8398 30.7557 177.7226 15 R 4.1536 7.9769 115.1513 55.0622 30.8027 176.8868 16 G 3.8270 8.4525 104.4919 45.5696 0.0000 171.9636 17 T 4.4095 7.8150 108.0400 61.8111 71.8673 172.4410 18 Y 4.9427 8.5190 118.0581 56.6431 42.6218 174.6496 19 G 3.8450 8.8036 106.0631 45.6720 0.0000 172.0298 20 K 3.6110 8.2956 120.1631 60.2451 32.0265 178.6353 21 Y 4.2992 7.3611 114.4932 59.7335 38.1010 177.3538 22 R 4.6016 7.9554 119.1843 55.2841 31.7419 171.7564 23 P 5.0537 0.0000 0.0000 60.9999 33.7302 177.1881 24 R 3.9872 8.0678 116.6458 55.4448 28.2977 176.1843 25 K 3.6504 7.5771 121.7026 56.8402 31.9549 177.1678 *26 K 4.1215 8.3911 119.1634 55.2037 32.3269 172.2706 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 2 G 8.21 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.52 3.58 0.00 1.17 1.17 0.00 1.53 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.37 7.81 4 G 7.66 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 D 8.39 4.52 0.00 2.54 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.60 3.98 0.00 1.96 2.10 0.00 3.14 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 7 R 7.60 3.52 0.00 1.54 0.83 0.00 2.98 0.00 0.00 3.05 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.43 0.00 8 T 7.26 4.67 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 9 R 8.49 4.04 0.00 1.99 1.99 0.00 3.49 0.00 0.00 3.39 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.82 0.00 10 R 8.07 4.12 0.00 1.89 1.98 0.00 3.17 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 11 G 8.03 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.11 4.02 0.00 2.18 1.90 0.00 1.67 0.00 0.00 1.80 0.00 0.00 3.31 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.54 1.55 7.81 13 I 7.79 3.52 2.07 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.14 0.92 0.00 0.00 14 W 8.48 4.13 0.00 3.28 3.35 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 15 R 7.98 4.15 0.00 2.23 1.99 0.00 3.61 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 16 G 8.45 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.82 4.41 4.27 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 1.29 0.00 0.00 18 Y 8.52 4.94 0.00 2.93 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.80 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.30 3.61 0.00 1.50 1.30 0.00 1.54 0.00 0.00 1.50 0.00 0.00 2.66 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.64 1.20 7.81 21 Y 7.36 4.30 0.00 3.07 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.96 4.60 0.00 1.89 1.83 0.00 2.88 0.00 0.00 2.93 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 23 P 0.00 5.05 0.00 2.21 2.03 0.00 3.88 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 24 R 8.07 3.99 0.00 1.69 1.33 0.00 2.82 0.00 0.00 3.06 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.33 0.00 25 K 7.58 3.65 0.00 1.91 1.89 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.43 7.81 *26 K 8.39 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.