NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4434 8.3044 118.1947 54.9039 32.7317 175.1411 2 V 3.4696 8.4063 117.8309 65.0262 31.5597 174.6476 3 I 4.5196 7.7922 122.0850 59.4635 40.2777 174.7243 4 A 4.4980 8.3767 129.8727 50.9522 20.5386 177.8400 5 T 3.9220 8.4021 108.3160 65.3750 68.4610 176.1706 6 D 4.4258 8.1435 120.2973 57.1929 40.9275 177.8219 7 D 4.5902 7.6115 116.0442 55.3751 41.1878 176.6988 8 L 4.6002 7.7593 118.7164 55.9478 43.7508 176.0328 9 E 5.0477 8.1365 116.3726 54.4480 32.2434 175.7824 10 V 4.5413 8.2674 121.7908 60.7503 35.3289 174.8864 11 A 4.6961 8.7564 128.7108 52.4712 19.8679 175.9709 12 C 4.5589 8.4346 119.1710 57.2399 32.0599 172.5220 13 P 4.3530 0.0000 0.0000 65.3671 31.0509 177.6459 14 K 4.2631 7.7338 118.4619 58.5568 33.5967 176.5823 15 C 4.4762 7.3315 107.6690 58.0925 29.0678 176.2040 *26 C 4.2421 8.7014 121.9176 58.3853 31.2847 171.9060 27 P 4.2705 0.0000 0.0000 65.4004 31.3823 177.8228 28 A 4.1349 8.1957 120.4705 54.5804 18.4097 177.6243 29 C 4.6074 7.9665 107.5204 57.1439 30.8560 173.6855 30 S 3.7379 8.5344 115.1968 59.9879 59.1979 173.5962 31 G 4.0222 8.2118 107.3302 45.7798 0.0000 176.1858 32 K 4.0050 7.5637 118.9808 57.7035 32.0799 178.4387 33 G 3.9924 9.2903 103.3189 45.0925 0.0000 173.1199 34 V 4.5350 7.1032 116.7708 61.8823 34.5489 172.4692 35 I 4.5963 9.3799 128.0352 59.5319 39.7000 175.0030 36 L 4.7476 8.5079 126.1826 54.4926 42.9660 176.8714 37 T 4.3777 8.8994 113.4103 60.9261 70.5735 175.6657 38 A 3.7812 8.6873 122.8881 55.4160 18.3783 179.3322 39 Q 4.0177 8.2984 117.6738 59.3847 28.9583 178.7345 40 G 3.6845 8.0072 106.0553 48.0992 0.0000 174.9351 41 Y 4.1413 8.3398 119.8719 60.9746 38.0896 178.8644 42 T 4.2092 8.2311 116.5894 66.9933 68.5440 176.3586 43 L 4.0848 7.8484 119.7143 57.7945 41.6541 179.3756 44 L 3.9495 8.0952 120.2486 58.2318 42.0555 178.4071 45 D 4.3432 9.0665 119.1845 57.3293 41.0784 178.0285 46 F 4.2736 8.2205 120.6365 61.3726 39.3559 177.2593 47 I 3.4892 8.1345 119.6838 64.4169 36.7307 178.2426 48 Q 3.8783 8.1132 119.4764 58.9859 28.9501 177.8790 49 K 4.0237 7.8255 119.3106 58.3674 32.3263 176.7828 50 H 4.7050 7.1446 112.6608 55.0410 30.7758 173.4379 51 L 4.0504 7.8881 126.2571 55.3427 41.7794 176.3442 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 4.44 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 2 V 8.41 3.47 2.08 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 0.79 0.00 0.00 0.93 0.00 0.00 3 I 7.79 4.52 1.88 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 1.35 0.78 0.92 0.00 0.00 4 A 8.38 4.50 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 5 T 8.40 3.92 4.25 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 1.22 0.00 0.00 6 D 8.14 4.43 0.00 2.65 2.80 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 7 D 7.61 4.59 0.00 2.85 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 8 L 7.76 4.60 0.00 1.60 1.70 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.14 5.05 0.00 1.84 1.83 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 2.23 2.22 0.00 10 V 8.27 4.54 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.99 0.00 0.00 11 A 8.76 4.70 1.25 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 0.00 0.00 12 C 8.43 4.56 0.00 3.02 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 13 P 0.00 4.35 0.00 2.22 2.20 0.00 3.82 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 14 K 7.73 4.26 0.00 1.80 1.86 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.42 1.37 7.81 15 C 7.33 4.48 0.00 3.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.70 4.24 0.00 3.00 2.91 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 0.00 0.00 0.00 27 P 0.00 4.27 0.00 2.08 2.09 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 28 A 8.20 4.13 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 29 C 7.97 4.61 0.00 3.09 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 30 S 8.53 3.74 0.00 4.04 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 31 G 8.21 4.02 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 0.00 0.00 0.00 32 K 7.56 4.01 0.00 1.82 1.87 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.51 7.81 33 G 9.29 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.10 4.54 2.08 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 0.79 0.00 0.00 0.98 0.00 0.00 35 I 9.38 4.60 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.00 0.98 0.00 0.00 36 L 8.51 4.75 0.00 1.62 1.69 0.42 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.90 4.38 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 38 A 8.69 3.78 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 39 Q 8.30 4.02 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 40 G 8.01 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 8.34 4.14 0.00 3.12 3.05 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 0.00 0.00 0.00 0.00 42 T 8.23 4.21 4.40 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 1.23 0.00 0.00 43 L 7.85 4.08 0.00 1.90 1.79 0.96 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.10 3.95 0.00 1.85 1.78 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 45 D 9.07 4.34 0.00 2.87 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.22 4.27 0.00 3.27 3.31 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 47 I 8.13 3.49 1.89 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.76 0.89 0.00 0.00 48 Q 8.11 3.88 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.01 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 49 K 7.83 4.02 0.00 1.89 1.54 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.27 1.39 7.81 50 H 7.14 4.70 0.00 2.78 3.04 0.00 5.72 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.89 4.05 0.00 1.79 1.51 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.