NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 H 4.8010 8.4449 117.8509 56.0886 30.1550 172.2739 -1 H 4.8750 8.4263 118.9517 52.8012 32.9253 171.0759 0 H 4.8453 8.5534 115.8475 54.0132 32.1357 171.6013 0 L 4.4553 8.2934 119.4475 54.1132 45.5357 175.1013 3 I 4.5140 8.2629 125.5844 59.3428 39.5857 174.6558 4 L 4.8433 8.2491 123.8969 54.4535 43.7255 175.1452 5 T 4.6437 8.2865 114.8018 61.7007 70.7508 174.2821 6 R 4.7369 8.2823 123.6675 54.4265 33.5973 175.6753 7 R 4.2676 9.5590 122.2172 54.7901 31.1886 176.1454 8 V 3.6878 8.1458 119.3245 64.9687 31.5162 176.1253 9 G 4.0456 9.2299 116.1891 45.2356 0.0000 173.1477 10 E 4.6704 8.2252 119.2205 55.1969 31.5260 174.8182 11 T 5.2480 8.0971 116.1856 61.9561 72.4269 173.9901 12 L 4.7952 8.5227 125.9160 54.7762 44.6176 175.8912 *14 V 3.8415 8.3988 118.8667 63.3012 32.3561 176.3630 15 G 3.6832 8.7423 119.9482 47.1480 0.0000 173.0046 16 D 4.8260 8.7358 120.7634 54.4695 42.3248 176.2728 17 D 4.8909 7.9300 117.1371 53.4049 42.8204 174.6129 18 V 4.9612 7.5649 117.7279 61.3205 34.7438 174.7438 19 T 4.9836 8.7532 116.1335 59.9285 72.6066 172.7110 20 V 4.9160 8.7057 122.6041 61.5450 34.8677 174.2756 21 T 5.0178 8.7339 123.6873 61.6114 72.4288 173.2303 22 V 4.0725 8.5512 126.4855 62.8879 32.0473 176.1647 23 L 4.6958 8.7852 127.8356 54.7821 43.4577 176.6007 24 G 4.0771 7.3575 104.6670 45.9085 0.0000 172.4633 25 V 4.9112 8.5222 122.2118 61.5649 34.7728 175.4609 26 K 4.4924 9.1558 129.2341 53.2343 35.3475 174.5389 27 G 3.9433 8.4882 116.7602 46.1183 0.0000 173.1948 28 N 4.7108 9.1405 120.3776 52.3450 37.9392 174.3002 29 Q 4.4804 8.3342 119.9767 54.6806 30.2229 174.4113 30 V 4.7606 8.1797 121.8485 61.0561 33.9720 174.4819 31 R 4.4819 8.8523 128.8745 55.5922 31.4220 175.0815 32 I 5.1216 8.3868 125.6714 59.4550 41.3866 174.7196 33 G 4.2097 9.0648 112.2176 44.3568 0.0000 171.8979 34 V 4.9556 8.4275 123.5136 60.9955 34.0328 174.0924 35 N 5.1050 8.7393 125.1819 51.7390 40.6899 173.8488 36 A 5.0770 8.1441 122.6863 50.8476 22.4827 174.3098 37 P 4.3133 0.0000 0.0000 62.8221 32.1811 178.4733 38 K 3.8512 8.8306 123.0337 57.9707 31.4615 178.0590 39 E 4.2982 8.0948 113.7682 56.2283 29.7784 176.1151 40 V 4.1870 7.6929 119.7482 61.0324 32.7822 175.0486 41 A 4.2135 8.4385 130.4044 51.6987 19.1629 176.3835 42 V 4.3179 7.9992 119.7230 61.2519 33.9447 174.7152 43 H 5.0828 8.4755 123.0050 53.4483 32.3983 173.8767 44 R 4.2570 8.3310 120.7964 55.6305 31.9262 177.5733 45 E 3.9529 8.7663 123.9455 59.4275 29.9664 179.0244 46 E 4.2885 8.2163 117.0150 59.1454 29.5624 179.1408 47 I 3.8611 7.6977 120.5313 64.3807 37.5377 177.1430 48 Y 4.0149 8.2573 120.5013 61.0798 38.3003 178.4146 49 Q 4.0946 8.6807 118.1271 58.7359 29.0102 178.7588 50 R 4.0582 7.5306 118.4856 59.1194 29.9760 178.6478 51 I 3.5944 7.4828 118.4222 64.8041 37.2498 178.1802 52 Q 3.9208 7.6012 116.7907 57.9757 28.4920 177.0448 53 K 4.1457 7.6456 123.4719 56.3566 32.3175 176.0638 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 -2 H 8.44 4.80 0.00 3.05 3.29 0.00 5.82 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 8.43 4.88 0.00 3.14 3.17 0.00 5.84 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 8.55 4.85 0.00 3.19 3.24 0.00 5.58 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 L 8.29 4.46 0.00 1.52 1.70 0.92 0.62 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 3 I 8.26 4.51 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.78 0.90 0.00 0.00 4 L 8.25 4.84 0.00 1.65 1.59 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.29 4.64 4.24 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 1.21 0.00 0.00 6 R 8.28 4.74 0.00 1.73 1.78 0.00 3.36 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 7 R 9.56 4.27 0.00 1.83 1.84 0.00 3.14 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 8 V 8.15 3.69 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 0.78 0.00 0.00 0.93 0.00 0.00 9 G 9.23 4.05 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 0.00 0.00 0.00 10 E 8.23 4.67 0.00 2.16 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 2.25 2.32 0.00 11 T 8.10 5.25 4.24 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 1.21 0.00 0.00 12 L 8.52 4.80 0.00 1.70 1.70 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 *14 V 8.40 3.84 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 0.94 0.00 0.00 0.92 0.00 0.00 15 G 8.74 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 16 D 8.74 4.83 0.00 2.66 2.69 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 0.00 0.00 0.00 0.00 17 D 7.93 4.89 0.00 2.64 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.56 4.96 2.25 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 0.79 0.00 0.00 0.93 0.00 0.00 19 T 8.75 4.98 4.24 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 1.21 0.00 0.00 20 V 8.71 4.92 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.92 0.00 0.00 21 T 8.73 5.02 4.24 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 1.26 0.00 0.00 22 V 8.55 4.07 2.23 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 0.92 0.00 0.00 0.93 0.00 0.00 23 L 8.79 4.70 0.00 1.51 1.68 0.96 0.77 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 24 G 7.36 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 0.00 0.00 0.00 25 V 8.52 4.91 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 0.80 0.00 0.00 0.93 0.00 0.00 26 K 9.16 4.49 0.00 1.62 1.63 0.00 2.01 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.25 1.22 7.81 27 G 8.49 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 28 N 9.14 4.71 0.00 2.83 2.92 0.00 0.00 5.85 7.39 0.00 0.00 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 Q 8.33 4.48 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 30 V 8.18 4.76 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 0.78 0.00 0.00 0.93 0.00 0.00 31 R 8.85 4.48 0.00 1.93 1.77 0.00 3.08 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 32 I 8.39 5.12 1.87 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 1.27 0.78 0.95 0.00 0.00 33 G 9.06 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 8.43 4.96 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.92 0.00 0.00 35 N 8.74 5.10 0.00 2.68 2.69 0.00 0.00 6.25 7.90 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 36 A 8.14 5.08 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.31 0.00 2.22 2.05 0.00 3.63 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 38 K 8.83 3.85 0.00 1.77 1.76 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.03 7.81 39 E 8.09 4.30 0.00 2.07 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 0.00 2.27 2.24 0.00 40 V 7.69 4.19 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 0.80 0.00 0.00 0.93 0.00 0.00 41 A 8.44 4.21 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 42 V 8.00 4.32 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.90 0.00 0.00 43 H 8.48 5.08 0.00 3.09 3.24 0.00 5.75 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.33 4.26 0.00 1.90 2.15 0.00 3.15 0.00 0.00 3.48 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 45 E 8.77 3.95 0.00 2.01 1.95 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 2.41 2.35 0.00 46 E 8.22 4.29 0.00 2.22 2.22 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 2.39 2.36 0.00 47 I 7.70 3.86 2.06 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 1.56 0.95 0.95 0.00 0.00 48 Y 8.26 4.01 0.00 2.93 3.06 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 49 Q 8.68 4.09 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.50 2.68 0.00 50 R 7.53 4.06 0.00 2.14 1.95 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 51 I 7.48 3.59 1.81 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 1.48 0.43 0.75 0.00 0.00 52 Q 7.60 3.92 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.77 0.00 0.00 0.00 0.00 0.00 1.84 2.30 0.00 53 K 7.65 4.15 0.00 1.73 1.68 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.47 7.81 * Residues marked with a * may have inaccurate shift predictions.