NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1705 8.1127 119.7064 56.1126 31.3323 177.0793 *3 K 4.2203 8.6546 123.3159 57.7505 33.6922 178.1859 4 Q 4.4395 7.7387 117.6830 56.3294 28.4089 178.4199 *6 E 4.2615 8.3386 117.5734 56.7406 31.7322 177.4814 7 D 4.4781 8.4292 118.6340 57.4655 40.8939 179.3240 8 K 4.3565 7.9332 117.7054 56.8882 31.8855 177.5191 *10 E 4.4012 8.3475 118.2824 56.0652 31.3031 178.3328 11 E 3.9346 8.1247 117.5411 56.5643 29.1589 178.1311 *13 L 4.2195 8.0505 119.7856 54.6613 43.9351 177.7845 14 S 4.3812 8.1405 112.8154 61.1249 62.5293 175.6340 15 K 4.4330 7.8653 118.5813 57.1209 32.1082 177.9990 *17 Y 4.7261 7.9824 120.0600 58.1860 40.4847 177.7192 18 H 4.2647 8.3881 116.8259 56.6383 29.4001 176.5657 *20 E 4.1606 8.3137 119.0181 55.8322 31.2941 176.7051 21 N 4.3257 8.1999 116.3107 56.3776 38.6219 177.5467 22 E 4.2049 7.8531 116.2128 56.6524 29.4628 178.2432 *24 A 4.3459 8.2164 122.5697 52.4746 20.5916 180.5818 25 R 4.1887 7.7447 113.9719 56.8461 29.6293 178.2378 *27 K 4.1453 8.1797 117.7543 55.8799 33.8378 176.8495 28 K 4.0677 8.1841 119.6055 59.5461 32.4380 180.3919 29 L 3.9652 7.7482 120.1122 54.9976 41.1454 178.8008 *31 G 3.9329 8.0518 107.1409 44.4037 0.0000 173.5121 32 E 4.2388 7.8824 122.8981 56.2750 29.6529 175.6318 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 4.17 0.00 1.86 1.59 0.00 3.28 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.57 0.00 *3 K 8.65 4.22 0.00 1.85 1.83 0.00 1.60 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.53 7.81 4 Q 7.74 4.44 0.00 2.34 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.31 6.17 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 *6 E 8.34 4.26 0.00 2.17 2.04 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 2.21 2.34 0.00 7 D 8.43 4.48 0.00 2.85 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 7.93 4.36 0.00 1.89 1.79 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.46 7.81 *10 E 8.35 4.40 0.00 2.23 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 2.28 2.30 0.00 11 E 8.12 3.93 0.00 2.00 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 2.25 0.00 *13 L 8.05 4.22 0.00 1.73 1.82 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.14 4.38 0.00 3.99 4.08 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 0.00 0.00 0.00 15 K 7.87 4.43 0.00 1.89 1.85 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.51 7.81 *17 Y 7.98 4.73 0.00 3.15 3.25 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 18 H 8.39 4.26 0.00 3.28 3.45 0.00 5.86 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *20 E 8.31 4.16 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.31 0.00 21 N 8.20 4.33 0.00 2.72 2.64 0.00 0.00 6.73 6.06 0.00 0.00 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 7.85 4.20 0.00 1.82 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 2.20 2.21 0.00 *24 A 8.22 4.35 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 25 R 7.74 4.19 0.00 2.00 1.99 0.00 3.11 0.00 0.00 3.06 7.33 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 8.18 4.15 0.00 1.76 2.01 0.00 1.82 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.42 7.81 28 K 8.18 4.07 0.00 1.94 1.96 0.00 1.68 0.00 0.00 1.56 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.37 7.81 29 L 7.75 3.97 0.00 1.88 1.59 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 *31 G 8.05 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.88 4.24 0.00 2.16 1.84 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 2.25 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.