NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 3.7871 8.0093 114.2454 60.2575 39.3362 174.7930 4 V 3.9160 7.3134 121.8359 59.9892 31.7077 173.5799 5 Y 3.9985 8.4237 123.6724 59.1512 39.1520 178.0130 6 G 3.9700 9.3718 113.4493 45.4732 0.0000 173.8527 7 D 4.7420 7.5717 121.2736 52.3844 39.7396 175.4126 8 Y 4.0341 8.2175 124.6264 60.3718 39.0813 176.8120 9 N 4.3507 8.2837 112.7454 52.0688 37.7921 174.7524 10 N 4.3535 7.9481 114.9445 54.5993 36.3925 174.4260 11 D 4.5452 8.2256 116.3182 53.4059 39.7944 177.3599 12 G 3.9740 8.7927 109.4726 45.3289 0.0000 173.3431 13 N 4.9505 8.0264 115.9838 51.3405 40.9557 174.3732 14 V 4.5645 8.2208 120.0665 61.4171 33.1763 174.2681 15 D 4.6464 9.2948 126.4646 51.2037 42.3448 175.2630 16 A 4.1116 8.8538 119.5210 55.9186 17.9732 179.6974 17 L 4.0426 8.1713 117.1032 58.1775 41.5810 179.5023 18 D 4.4672 8.2481 118.7462 57.0384 40.7814 178.5053 19 F 4.1385 8.2155 120.5870 61.2139 39.4871 176.7802 20 A 3.9161 8.5399 120.8986 55.2170 18.1248 179.9041 21 G 2.3636 7.5809 104.0563 47.2112 0.0000 175.7326 22 L 3.7668 7.6288 122.9087 57.5605 41.8776 178.7513 23 K 3.6801 7.2912 118.4062 59.5450 32.3015 178.4156 24 K 4.0284 7.8472 118.4472 59.5297 31.8781 178.5249 25 Y 3.9356 8.2064 120.0121 61.0220 38.5425 178.5198 26 I 3.8942 7.7701 118.6241 64.1611 37.2312 177.8843 27 M 4.2016 7.6307 117.9820 56.2436 31.9438 176.7130 28 A 3.6860 7.8488 121.5930 53.2567 17.9837 177.7681 *32 A 4.1485 8.5355 117.4305 50.6027 20.4996 176.9563 33 Y 4.2770 8.7219 124.7664 57.2638 39.6636 174.8643 34 V 4.1134 7.2921 125.5650 60.5085 34.5171 175.2537 35 K 3.7341 8.7725 128.9396 59.6624 32.1736 177.8399 36 N 4.3640 7.8752 113.7508 54.0677 37.5787 175.7960 37 L 4.4150 7.2551 118.2778 55.3349 42.5690 177.0085 38 D 4.7769 7.7210 120.6349 53.2250 39.3867 176.6432 39 V 3.9109 8.5270 113.4392 61.5524 32.0473 176.5951 40 N 4.7575 8.1496 115.6856 51.3796 38.1816 174.1763 41 L 3.8962 7.6373 118.0900 56.4365 39.6863 174.3991 42 D 4.7498 8.3746 112.3004 52.8306 39.9853 176.1356 43 N 4.0936 8.7197 114.8028 54.3058 36.3646 173.9681 44 E 4.8647 8.5564 114.7462 54.9875 33.6917 175.0427 45 V 4.5508 8.3787 122.0194 61.4514 33.2596 174.2066 46 N 4.8443 9.5617 125.0786 51.1261 39.9564 174.9286 47 S 4.1985 8.6901 112.1468 62.0374 62.6471 176.4308 48 T 3.8985 8.1753 119.8766 66.5713 68.1697 176.2091 49 D 4.3883 8.1890 120.6226 57.3119 40.8635 178.6621 50 L 3.9507 7.9382 119.9301 58.1553 42.2011 178.5042 51 A 4.1100 8.3220 120.9514 55.5363 18.3017 179.7625 52 I 3.7643 8.0274 118.1760 64.2943 37.1389 178.4586 53 L 4.0648 8.2819 121.3500 57.9176 42.0330 178.4637 54 K 3.4385 8.4020 119.7657 59.7634 32.0543 178.3215 55 K 3.9168 7.9783 118.8755 59.5402 32.1296 178.0797 56 Y 4.0336 8.1338 119.7670 60.8685 38.5788 178.2263 57 L 3.8882 8.0008 118.1301 56.7805 41.7356 178.3732 58 L 4.4001 7.4172 116.8124 53.5186 41.8931 176.6608 59 G 3.7919 7.5785 106.8068 46.8049 0.0000 174.0807 60 M 4.2072 8.4517 125.1750 55.0301 32.2086 176.0216 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 3 I 8.01 3.79 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.06 0.82 0.00 0.00 4 V 7.31 3.92 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.93 0.00 0.00 5 Y 8.42 4.00 0.00 2.95 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 G 9.37 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 7 D 7.57 4.74 0.00 2.75 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 8 Y 8.22 4.03 0.00 2.87 3.22 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 0.00 0.00 0.00 0.00 9 N 8.28 4.35 0.00 2.89 3.04 0.00 0.00 7.15 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 N 7.95 4.35 0.00 2.87 2.92 0.00 0.00 6.90 8.02 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 11 D 8.23 4.55 0.00 2.72 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 G 8.79 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 13 N 8.03 4.95 0.00 2.94 2.76 0.00 0.00 6.69 6.96 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 14 V 8.22 4.56 2.27 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 0.99 0.00 0.00 1.03 0.00 0.00 15 D 9.29 4.65 0.00 2.91 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.85 4.11 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.17 4.04 0.00 1.93 1.81 0.96 1.02 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 18 D 8.25 4.47 0.00 2.99 2.96 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 0.00 0.00 0.00 19 F 8.22 4.14 0.00 3.08 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 20 A 8.54 3.92 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 21 G 7.58 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.63 3.77 0.00 1.70 1.66 0.86 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.29 3.68 0.00 1.36 1.73 0.00 1.64 0.00 0.00 1.53 0.00 0.00 3.04 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.42 7.81 24 K 7.85 4.03 0.00 1.94 1.82 0.00 1.67 0.00 0.00 1.53 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.45 7.81 25 Y 8.21 3.94 0.00 3.24 3.08 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 26 I 7.77 3.89 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.83 0.92 0.00 0.00 27 M 7.63 4.20 0.00 1.93 2.24 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.52 0.00 28 A 7.85 3.69 1.06 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 0.00 0.00 0.00 0.00 0.00 0.00 *32 A 8.54 4.15 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 33 Y 8.72 4.28 0.00 2.99 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 34 V 7.29 4.11 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.91 0.00 0.00 35 K 8.77 3.73 0.00 1.94 1.77 0.00 1.79 0.00 0.00 1.80 0.00 0.00 3.15 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.36 1.47 7.81 36 N 7.88 4.36 0.00 2.80 2.78 0.00 0.00 6.12 6.67 0.00 0.00 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 L 7.26 4.42 0.00 1.33 1.60 0.42 1.11 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 38 D 7.72 4.78 0.00 2.78 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 8.53 3.91 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 0.77 0.00 0.00 1.00 0.00 0.00 40 N 8.15 4.76 0.00 2.76 2.84 0.00 0.00 6.34 7.79 0.00 0.00 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 L 7.64 3.90 0.00 1.68 1.73 0.57 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.37 4.75 0.00 2.79 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 N 8.72 4.09 0.00 2.82 2.70 0.00 0.00 6.65 7.12 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 44 E 8.56 4.86 0.00 2.21 1.87 0.00 0.00 0.00 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 2.28 0.00 45 V 8.38 4.55 2.19 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 0.87 0.00 0.00 0.76 0.00 0.00 46 N 9.56 4.84 0.00 2.93 2.95 0.00 0.00 6.31 7.31 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 47 S 8.69 4.20 0.00 4.07 4.18 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 0.00 0.00 0.00 48 T 8.18 3.90 4.45 0.00 0.00 0.00 0.00 0.00 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 49 D 8.19 4.39 0.00 2.90 2.84 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 50 L 7.94 3.95 0.00 1.69 1.82 0.30 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.32 4.11 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.03 3.76 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.02 0.92 0.00 0.00 53 L 8.28 4.06 0.00 1.94 2.05 1.07 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.40 3.44 0.00 2.21 2.08 0.00 1.89 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.27 7.81 55 K 7.98 3.92 0.00 1.90 2.04 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.42 7.81 56 Y 8.13 4.03 0.00 3.14 3.15 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 0.00 0.00 0.00 57 L 8.00 3.89 0.00 1.59 1.58 0.82 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.42 4.40 0.00 1.57 1.62 0.86 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 59 G 7.58 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 M 8.45 4.21 0.00 1.93 1.94 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.