NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2035 8.1127 119.0731 56.0459 31.0604 177.1066 *3 K 4.8925 8.6046 114.8345 58.4113 33.6736 177.5312 4 Q 4.3444 7.5889 118.7876 56.6187 29.0080 177.5757 *6 E 4.2685 8.3872 116.5720 56.1497 31.5831 178.2127 7 D 4.3450 8.4722 118.7954 57.3127 40.9397 178.5511 8 K 4.3379 7.7655 118.3382 56.8288 32.0303 177.3955 *10 E 4.3484 8.3726 119.0695 55.8660 31.1271 177.6886 11 E 4.1896 8.2427 117.2732 56.7322 29.1306 178.0211 *13 L 4.2269 8.0152 119.0128 54.8470 43.9283 178.1911 14 S 4.2887 8.4414 114.6963 61.7263 62.8448 177.6819 15 K 4.3497 7.8485 118.8503 56.7999 31.6096 177.9953 *17 Y 4.8776 8.0917 120.8207 58.2591 40.5008 177.8169 18 H 4.4530 8.0638 115.6923 56.1241 28.0724 177.5258 *20 E 4.2155 8.3309 119.2230 56.6869 31.3925 177.2533 21 N 4.2871 8.0311 116.0985 56.5731 38.5465 178.1947 22 E 4.2610 7.8082 114.6144 56.7802 29.1503 178.2537 *24 A 4.3734 8.1826 122.5449 52.4825 20.3925 181.0171 25 R 4.2206 7.8385 115.1039 56.6897 29.6688 178.5290 *27 K 4.1456 8.1571 117.1283 55.9083 34.1750 176.4357 28 K 4.0407 8.3590 119.9177 59.7295 32.1071 180.2266 29 L 4.5448 7.7753 117.8011 54.8158 41.0049 178.7220 *31 G 3.9675 8.1613 109.1991 44.9557 0.0000 173.5471 32 E 4.2367 7.8514 122.6152 56.2651 29.6377 175.6476 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 R 8.11 4.20 0.00 1.75 1.48 0.00 3.25 0.00 0.00 3.33 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 *3 K 8.60 4.89 0.00 1.80 1.87 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.40 7.81 4 Q 7.59 4.34 0.00 2.07 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.30 6.17 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 *6 E 8.39 4.27 0.00 2.20 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 2.29 2.34 0.00 7 D 8.47 4.34 0.00 2.84 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 7.77 4.34 0.00 1.79 1.83 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.42 7.81 *10 E 8.37 4.35 0.00 2.20 2.18 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 2.27 2.36 0.00 11 E 8.24 4.19 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 *13 L 8.02 4.23 0.00 1.66 1.90 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.44 4.29 0.00 4.04 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 15 K 7.85 4.35 0.00 1.86 1.85 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.41 7.81 *17 Y 8.09 4.88 0.00 2.98 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.06 4.45 0.00 3.37 3.22 0.00 5.70 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *20 E 8.33 4.22 0.00 2.06 1.96 0.00 0.00 0.00 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 2.40 0.00 21 N 8.03 4.29 0.00 2.64 2.70 0.00 0.00 6.56 6.65 0.00 0.00 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 E 7.81 4.26 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 *24 A 8.18 4.37 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 25 R 7.84 4.22 0.00 1.94 2.00 0.00 3.11 0.00 0.00 3.06 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 *27 K 8.16 4.15 0.00 1.77 2.01 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.43 7.81 28 K 8.36 4.04 0.00 1.88 2.00 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.42 7.81 29 L 7.78 4.54 0.00 1.65 1.67 1.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 *31 G 8.16 3.97 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 0.00 32 E 7.85 4.24 0.00 2.12 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.46 0.00 * Residues marked with a * may have inaccurate shift predictions.