NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0040 8.2085 108.0079 46.1140 0.0000 172.6421 2 A 4.6702 8.3658 127.8943 49.2665 22.0098 173.7433 3 Q 4.1427 8.7269 125.8595 55.1310 29.9487 172.3724 4 V 4.1021 7.9612 126.1813 61.4294 32.5755 175.0233 5 S 4.8765 8.5765 124.0649 56.8629 66.2720 173.1119 6 R 4.9684 8.0551 120.0196 54.4602 32.5633 174.3511 7 Q 4.4104 8.5248 121.5167 56.8566 34.8561 173.5023 *23 S 4.2312 7.7712 111.3153 58.6454 63.4593 173.4610 24 L 4.5366 8.3369 128.7863 53.8622 41.0017 173.9429 25 N 5.4090 8.3523 121.6801 51.6379 40.5542 172.8959 26 Y 5.0567 8.2494 124.2278 55.8283 41.5280 173.9462 27 F 4.4923 8.6838 125.3505 55.8929 40.7172 175.4257 28 N 4.4546 8.0246 125.5671 52.0236 37.5132 173.3832 29 I 4.7784 7.4743 122.1153 60.0590 38.5809 175.3189 30 N 4.6562 8.0464 123.7792 51.6043 40.0314 174.2330 31 Y 3.7678 8.2388 123.8059 59.5780 38.3097 176.7597 32 F 5.0465 7.2844 116.8789 55.4039 42.0725 175.4114 33 K 4.3127 8.8338 120.8984 57.3200 32.3955 176.6093 34 D 4.9643 7.8710 119.8811 51.9660 43.0864 176.9613 35 A 3.9708 8.7986 126.3695 55.2783 18.5909 179.4902 36 A 4.1028 7.9604 117.4263 55.1959 18.6444 178.9670 37 S 4.2196 8.0415 111.9090 61.1800 63.0609 175.2037 38 S 4.4692 7.6444 114.2317 57.7938 63.6397 175.4978 39 G 3.8950 8.2691 110.0639 44.9733 0.0000 173.3339 40 A 4.1221 8.4668 122.5126 52.5101 18.9491 177.9472 41 S 4.5505 8.2500 116.2150 57.7538 64.0721 174.6052 42 R 4.3048 8.1473 120.7503 55.7604 30.7952 176.4979 43 L 4.4015 8.0546 119.9645 53.9091 42.9023 176.6856 44 D 4.4715 8.5306 120.1912 54.6198 41.2016 175.9466 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 G 8.21 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.37 4.67 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.73 4.14 0.00 2.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 4 V 7.96 4.10 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.96 0.00 0.00 5 S 8.58 4.88 0.00 3.83 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 8.06 4.97 0.00 1.94 1.68 0.00 3.08 0.00 0.00 2.46 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.44 0.00 7 Q 8.52 4.41 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.34 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 *23 S 7.77 4.23 0.00 4.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.34 4.54 0.00 1.68 1.58 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.35 5.41 0.00 2.78 2.53 0.00 0.00 7.07 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 8.25 5.06 0.00 2.95 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 F 8.68 4.49 0.00 2.84 2.83 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 28 N 8.02 4.45 0.00 2.26 2.46 0.00 0.00 6.86 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.47 4.78 1.26 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.96 0.28 0.00 0.00 30 N 8.05 4.66 0.00 2.63 2.60 0.00 0.00 7.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 8.24 3.77 0.00 2.43 2.35 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 32 F 7.28 5.05 0.00 3.05 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 33 K 8.83 4.31 0.00 1.81 1.89 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.51 7.81 34 D 7.87 4.96 0.00 2.70 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.80 3.97 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.96 4.10 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.04 4.22 0.00 4.21 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 38 S 7.64 4.47 0.00 3.99 4.12 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 39 G 8.27 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.47 4.12 1.27 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 0.00 0.00 0.00 41 S 8.25 4.55 0.00 3.89 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.15 4.30 0.00 1.81 1.86 0.00 3.23 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 43 L 8.05 4.40 0.00 1.63 1.58 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.53 4.47 0.00 2.62 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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.