NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3018 8.1127 119.7064 56.2125 32.9596 176.9866 2 M 3.7881 8.1569 117.6652 58.3414 32.7226 176.8758 3 K 3.9990 8.3511 120.6993 60.1428 32.7449 178.8129 4 Q 3.9917 7.9647 120.6411 59.9224 28.1535 180.7366 5 L 4.1244 8.2102 122.8739 58.0970 42.2148 178.8917 6 E 3.9711 8.5005 118.8989 59.6612 29.3347 179.1956 7 D 4.4000 8.3977 119.0450 57.2650 40.7601 179.0202 8 K 3.9986 8.1575 119.2049 59.2208 31.9806 179.5930 9 V 3.5803 7.9843 118.7460 66.0187 31.4616 178.0138 10 E 3.9417 8.2869 118.3645 59.1901 29.2687 178.7298 11 E 3.9211 8.3511 119.5461 59.2522 29.6925 178.5575 12 L 3.9519 8.0974 120.2891 58.3423 42.1713 178.9918 13 L 4.0598 8.0739 118.8064 57.9780 41.5481 179.7936 14 S 4.1871 8.2491 115.1147 61.3360 62.6788 176.7905 15 K 4.0103 8.3308 121.0957 59.5209 31.7860 179.1300 16 A 4.0012 8.5178 121.3244 55.3964 18.3073 179.0523 17 Y 4.0111 8.2370 117.9779 61.2116 38.7809 178.0135 18 H 4.0508 8.5244 117.1882 58.6491 28.6852 177.7280 19 L 3.9445 8.1929 121.0548 57.7736 41.5524 179.0727 20 E 3.8668 8.3058 119.2940 59.4625 29.5410 178.7349 21 N 4.2161 7.9211 116.3621 56.2731 38.4753 177.3221 22 E 3.9515 8.3495 120.2499 59.2238 29.4353 179.5347 23 V 3.5280 8.0851 118.3842 65.9252 31.5434 177.8779 24 A 3.9502 7.8370 120.2392 55.1723 18.1208 179.6957 25 R 3.8157 7.9469 116.4077 59.4931 30.1257 179.0663 26 L 3.9574 8.1199 118.8680 57.9725 41.7051 179.6691 27 K 3.8561 8.2285 118.3255 59.5337 31.7659 179.2504 28 K 3.9621 7.5748 118.2802 59.5242 32.2260 178.6364 29 L 4.1142 7.9784 118.6263 57.6009 41.5215 179.4562 30 V 3.7560 7.9373 118.1275 64.5629 31.7262 176.9485 31 G 3.7677 7.8730 104.3814 46.6469 0.0000 173.4859 32 E 4.0847 8.1360 120.7814 56.1362 30.6139 178.2174 *33 R 4.1415 8.2822 117.0927 56.7080 30.1652 174.0853 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 4.30 0.00 1.89 1.87 0.00 3.11 0.00 0.00 3.34 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 2 M 8.16 3.79 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.71 0.00 3 K 8.35 4.00 0.00 1.90 1.79 0.00 1.66 0.00 0.00 1.85 0.00 0.00 3.08 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.69 7.81 4 Q 7.96 3.99 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.69 0.00 0.00 0.00 0.00 0.00 2.36 1.98 0.00 5 L 8.21 4.12 0.00 1.73 1.96 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.50 3.97 0.00 2.16 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 7 D 8.40 4.40 0.00 2.81 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 8.16 4.00 0.00 1.97 1.86 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.60 7.81 9 V 7.98 3.58 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.00 0.00 0.00 10 E 8.29 3.94 0.00 2.18 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 2.44 2.45 0.00 11 E 8.35 3.92 0.00 2.03 2.15 0.00 0.00 0.00 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 2.34 0.00 12 L 8.10 3.95 0.00 1.80 1.90 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.07 4.06 0.00 1.73 1.70 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.25 4.19 0.00 3.91 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 15 K 8.33 4.01 0.00 1.98 1.90 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.65 7.81 16 A 8.52 4.00 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 17 Y 8.24 4.01 0.00 2.94 3.13 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 0.00 0.00 0.00 18 H 8.52 4.05 0.00 3.39 3.31 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.19 3.94 0.00 1.86 1.71 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.31 3.87 0.00 2.06 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 2.23 2.33 0.00 21 N 7.92 4.22 0.00 2.72 2.69 0.00 0.00 7.06 7.20 0.00 0.00 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 8.35 3.95 0.00 2.09 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 2.46 2.44 0.00 23 V 8.09 3.53 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 1.07 0.00 0.00 0.95 0.00 0.00 24 A 7.84 3.95 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 R 7.95 3.82 0.00 2.01 1.98 0.00 3.28 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 26 L 8.12 3.96 0.00 1.87 1.72 0.91 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.23 3.86 0.00 1.94 1.86 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.65 7.81 28 K 7.57 3.96 0.00 2.11 1.93 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.35 7.81 29 L 7.98 4.11 0.00 1.78 1.71 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.94 3.76 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.99 0.00 0.00 31 G 7.87 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 4.08 0.00 1.97 1.91 0.00 0.00 0.00 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 2.30 0.00 *33 R 8.28 4.14 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.