NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2878 8.3044 120.3506 55.3550 33.4068 174.1465 2 Q 4.4904 8.1747 125.2656 54.0098 31.0036 173.0448 3 Y 4.7935 9.2337 122.0967 56.0729 42.3208 174.6459 4 K 4.8618 8.6348 121.8275 54.7073 35.6291 175.9195 5 V 4.3980 8.1996 120.0664 61.3219 34.4790 174.1896 6 I 4.4403 8.2618 127.2318 59.3960 39.1823 174.9205 7 L 4.6366 7.8267 124.0983 53.9670 45.1239 174.6825 8 N 3.9287 8.3699 119.0182 53.7868 34.0407 173.6657 *19 E 4.1742 7.5402 118.1159 55.3703 32.2241 177.1155 20 A 4.2653 7.4775 129.3863 50.9492 17.8069 174.8713 21 V 3.9403 7.7201 119.4507 61.3160 32.4705 175.9240 22 D 4.3042 8.8048 126.4939 54.7147 41.9079 176.3304 23 A 3.9651 8.7733 128.8027 55.4739 18.4570 178.9947 24 A 3.9279 8.0833 118.5380 55.5682 18.4413 179.8880 25 T 3.8198 7.8751 114.2794 66.6594 68.5418 176.6200 26 F 4.2074 8.0489 122.1232 61.3861 39.3842 176.8253 27 E 3.6049 8.1434 118.0381 59.4720 29.2553 179.6602 28 K 4.0551 8.0155 118.2898 59.2736 31.9781 179.5520 29 V 3.5909 7.8888 118.5983 66.0357 31.4670 178.3107 30 V 3.6283 7.6197 117.8766 65.9333 31.3481 177.8112 31 K 3.9948 8.4152 119.4678 59.6481 32.0307 178.7576 32 Q 3.9934 8.7509 118.6791 58.9119 28.5724 178.1850 33 F 3.9460 8.5174 121.9211 61.5068 39.2118 177.3455 34 F 3.8803 8.4359 116.9561 60.5441 38.7505 177.2449 35 N 4.4917 8.3316 117.6047 55.9969 38.2038 177.2099 36 D 4.4858 8.3952 118.6652 56.4630 40.7928 177.5305 37 N 4.6699 7.0429 113.9938 52.3313 38.8207 175.7412 38 G 3.8420 8.0970 108.1625 45.6850 0.0000 173.7469 39 V 4.2947 7.8986 120.2472 60.7640 33.0888 174.0022 40 D 4.9246 8.2496 126.2543 52.6087 42.9098 175.0677 41 G 3.8843 7.7410 112.5114 45.3375 0.0000 171.9156 42 E 4.6816 8.0799 117.5893 53.8811 33.3960 175.7109 43 W 4.3395 8.6444 121.2754 56.4860 29.9421 176.1399 44 T 4.8220 8.2583 111.8206 59.9041 71.4447 172.5903 45 Y 4.3752 8.5114 120.1382 56.9564 39.0078 175.7855 46 D 4.6683 8.5951 124.3150 53.7428 41.7912 175.9082 47 D 4.5500 8.4535 120.8047 53.9790 41.4961 176.5125 48 A 4.2331 8.3365 123.5438 52.8837 18.9789 177.3265 49 T 4.7994 8.1664 115.8982 61.6475 72.4961 173.7672 50 K 4.7631 8.4782 122.3110 54.9502 35.4681 176.0060 51 T 4.6295 8.1325 117.3784 61.4599 72.0548 173.6123 52 F 4.1455 9.0184 128.4420 58.4679 39.7034 174.2908 53 T 4.4917 7.6415 125.0331 61.2873 70.4316 175.5134 54 V 3.8116 8.0776 123.6034 61.8755 31.1524 173.9487 55 T 4.2448 8.3413 115.9772 64.7932 67.2016 173.7661 56 E 4.0015 8.6596 125.4163 56.4106 31.1638 174.1184 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 M 8.30 4.29 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.58 0.00 2 Q 8.17 4.49 0.00 2.08 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.56 0.00 0.00 0.00 0.00 0.00 2.26 2.47 0.00 3 Y 9.23 4.79 0.00 3.02 2.88 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 0.00 0.00 0.00 4 K 8.63 4.86 0.00 1.74 1.72 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.42 7.81 5 V 8.20 4.40 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 0.32 0.00 0.00 1.04 0.00 0.00 6 I 8.26 4.44 1.83 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.63 0.87 0.00 0.00 7 L 7.83 4.64 0.00 1.42 1.39 0.54 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.37 3.93 0.00 2.85 2.88 0.00 0.00 6.95 7.66 0.00 0.00 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 E 7.54 4.17 0.00 1.97 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 2.20 2.25 0.00 20 A 7.48 4.27 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.72 3.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.91 0.00 0.00 22 D 8.80 4.30 0.00 2.83 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.77 3.97 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 24 A 8.08 3.93 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 25 T 7.88 3.82 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 26 F 8.05 4.21 0.00 3.07 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.14 3.60 0.00 2.08 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 2.22 0.00 28 K 8.02 4.06 0.00 2.00 1.89 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.60 7.81 29 V 7.89 3.59 2.20 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 1.11 0.00 0.00 1.04 0.00 0.00 30 V 7.62 3.63 2.41 0.00 0.00 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 0.49 0.00 0.00 31 K 8.42 3.99 0.00 2.11 2.04 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.47 1.47 7.81 32 Q 8.75 3.99 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.50 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 33 F 8.52 3.95 0.00 3.09 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 F 8.44 3.88 0.00 3.28 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.33 4.49 0.00 2.88 2.88 0.00 0.00 6.56 8.48 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 36 D 8.40 4.49 0.00 2.50 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.04 4.67 0.00 2.46 2.59 0.00 0.00 7.01 7.53 0.00 0.00 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 G 8.10 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 39 V 7.90 4.29 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.03 0.00 0.00 40 D 8.25 4.92 0.00 2.64 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.74 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.08 4.68 0.00 1.87 1.82 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 2.16 2.24 0.00 43 W 8.64 4.34 0.00 3.22 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.26 4.82 4.31 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 1.23 0.00 0.00 45 Y 8.51 4.38 0.00 3.02 2.97 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 46 D 8.60 4.67 0.00 2.74 2.65 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 0.00 0.00 0.00 0.00 47 D 8.45 4.55 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.34 4.23 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.17 4.80 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 1.24 0.00 0.00 50 K 8.48 4.76 0.00 1.73 1.70 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.43 7.81 51 T 8.13 4.63 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 52 F 9.02 4.15 0.00 2.98 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 T 7.64 4.49 4.09 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 0.00 0.00 1.20 0.00 0.00 54 V 8.08 3.81 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.95 0.00 0.00 55 T 8.34 4.24 4.23 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 0.00 0.00 0.00 1.20 0.00 0.00 56 E 8.66 4.00 0.00 2.04 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 2.19 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.