NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.3600 8.5904 109.1296 41.0000 0.0000 178.1294 2 A 3.5125 8.1789 125.9267 49.6716 18.1789 178.1801 3 M 4.2723 8.9170 114.4494 56.2924 31.6954 174.2727 4 G 4.2604 7.8500 109.1961 44.0464 0.0000 170.4514 5 P 4.1543 0.0000 0.0000 61.4355 33.3439 175.2701 6 L 3.6107 7.7153 115.8542 55.8856 38.5484 173.6539 7 P 4.1943 0.0000 0.0000 64.9040 32.6144 176.8134 8 P 4.6086 0.0000 0.0000 63.2067 31.2911 177.1347 9 G 4.0975 7.9497 105.1134 47.4906 0.0000 171.8232 10 W 4.5996 7.8736 116.8188 55.0562 33.2491 177.1880 11 E 4.2910 8.2466 123.0727 54.8419 29.0120 174.5571 12 K 4.4551 8.1603 124.3180 53.1426 35.1185 175.5813 13 R 4.4424 7.0969 117.3241 55.2262 33.1081 174.0514 14 T 5.1347 8.3872 117.8106 61.1778 69.5171 172.8603 15 D 4.7656 8.5385 126.0178 52.5502 42.3086 177.4416 16 S 4.1377 8.8271 119.3614 60.9921 62.7989 175.8896 17 N 4.0324 9.0669 119.6863 54.8672 39.2985 174.1560 18 G 4.1098 10.1716 105.0288 45.2951 0.0000 172.7328 19 R 4.6921 7.4012 116.6507 54.4895 34.0381 173.3396 20 V 4.6828 8.6727 123.3291 61.9377 32.2799 174.4411 21 Y 5.1649 8.4044 125.8691 55.1994 41.0679 174.6429 22 F 4.7710 9.2399 119.6405 55.8221 42.2941 175.2459 23 V 4.3004 8.6932 124.6429 60.0869 32.5634 173.4661 24 N 4.0114 8.2582 125.3136 52.0009 40.4051 173.4990 25 H 4.9100 8.5102 122.7573 53.5184 27.7719 172.6673 26 N 4.3151 7.5877 124.0325 53.9028 37.6439 176.9800 27 T 4.1017 7.8273 117.4427 61.5328 68.6671 175.8860 28 R 4.5098 7.6309 126.0967 55.0821 30.4042 174.3863 29 I 4.5476 7.9802 125.3434 59.5830 41.2465 174.7963 *31 Q 4.4563 8.1388 118.2970 56.3884 29.4737 174.9104 32 W 5.3714 9.0074 120.8755 54.7130 27.8459 174.8964 33 E 4.2649 7.2843 119.4043 54.1791 32.2271 174.2014 34 D 3.3700 7.7076 124.0947 53.5186 41.6484 174.1376 35 P 4.2643 0.0000 0.0000 63.3687 33.1385 179.4754 36 R 2.7715 9.3266 113.5223 56.5638 32.3973 176.2316 37 S 4.2727 9.0660 116.7050 58.4787 62.7666 174.0222 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 8.59 4.36 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 2 A 8.18 3.51 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 3 M 8.92 4.27 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.48 0.00 4 G 7.85 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 0.00 0.00 0.00 0.00 5 P 0.00 4.15 0.00 2.09 1.84 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 6 L 7.72 3.61 0.00 1.76 1.87 0.66 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.19 0.00 1.87 2.02 0.00 3.30 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.34 0.00 8 P 0.00 4.61 0.00 3.11 2.33 0.00 2.79 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.82 0.00 9 G 7.95 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 W 7.87 4.60 0.00 2.87 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.25 4.29 0.00 1.93 1.84 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 2.13 2.34 0.00 12 K 8.16 4.46 0.00 0.97 0.92 0.00 1.26 0.00 0.00 0.61 0.00 0.00 3.73 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.30 0.21 7.81 13 R 7.10 4.44 0.00 1.73 1.73 0.00 3.15 0.00 0.00 3.56 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.71 0.00 14 T 8.39 5.13 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 1.31 0.00 0.00 15 D 8.54 4.77 0.00 2.84 2.66 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 0.00 0.00 0.00 0.00 16 S 8.83 4.14 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 17 N 9.07 4.03 0.00 2.83 3.11 0.00 0.00 7.44 7.82 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 18 G 10.17 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.40 4.69 0.00 1.95 2.13 0.00 3.23 0.00 0.00 3.35 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.87 0.00 20 V 8.67 4.68 2.31 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 1.30 0.00 0.00 1.05 0.00 0.00 21 Y 8.40 5.16 0.00 1.43 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 0.00 0.00 0.00 0.00 22 F 9.24 4.77 0.00 3.41 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.69 4.30 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.89 0.00 0.00 24 N 8.26 4.01 0.00 1.44 1.96 0.00 0.00 5.74 7.30 0.00 0.00 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 H 8.51 4.91 0.00 3.15 3.18 0.00 5.59 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 N 7.59 4.32 0.00 2.79 2.74 0.00 0.00 6.20 7.69 0.00 0.00 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 T 7.83 4.10 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 1.21 0.00 0.00 28 R 7.63 4.51 0.00 1.95 1.88 0.00 3.12 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 29 I 7.98 4.55 1.99 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.49 0.99 0.00 0.00 *31 Q 8.14 4.46 0.00 2.48 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 7.07 0.00 0.00 0.00 0.00 0.00 2.50 2.71 0.00 32 W 9.01 5.37 0.00 3.33 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 33 E 7.28 4.26 0.00 1.77 1.54 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 1.78 2.09 0.00 34 D 7.71 3.37 0.00 2.56 2.32 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 35 P 0.00 4.26 0.00 1.64 1.40 0.00 2.93 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 36 R 9.33 2.77 0.00 1.88 2.08 0.00 3.09 0.00 0.00 3.13 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 37 S 9.07 4.27 0.00 3.86 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 * Residues marked with a * may have inaccurate shift predictions.