NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-1 H 4.8653 8.4293 117.3745 54.9476 31.2782 170.8112 0 H 4.8301 8.8116 120.0248 54.8343 33.7010 173.8807 2 L 4.6826 9.7073 113.0139 52.8269 47.2016 176.4246 3 I 4.5500 8.3377 123.2008 59.3487 39.7603 174.7134 4 L 4.7643 8.1810 123.9967 54.4747 43.5326 175.1987 5 T 4.4521 8.2136 115.7770 62.3092 69.7541 174.9498 6 R 4.6292 8.2103 123.4762 54.4130 33.1282 175.7139 7 R 4.2221 9.4653 122.7767 54.9063 31.0179 176.2757 8 V 3.7654 8.1306 119.0662 65.0285 31.5543 176.0438 9 G 4.0243 9.7649 117.1719 45.0390 0.0000 173.2637 10 E 4.5862 8.2318 119.3543 55.8220 31.4948 175.5809 11 T 5.1862 8.3187 117.3947 61.9905 72.5231 173.8138 12 L 4.8478 8.5142 125.9020 54.4776 44.0275 175.5072 *14 V 3.9137 8.3691 118.5091 63.7693 32.0891 176.7342 15 G 4.2607 8.4280 118.6745 45.6518 0.0000 171.7392 16 D 4.5271 8.8154 119.7434 56.1700 41.3904 177.3258 17 D 4.9023 8.0064 114.8409 52.3580 41.9169 180.7920 18 V 4.9011 7.3949 116.8322 62.0864 33.9233 174.8953 19 T 4.9296 8.8227 116.6990 59.9328 72.5460 173.0890 20 V 4.5988 8.7287 122.6787 61.8239 34.7430 173.9859 21 T 5.0175 8.9310 125.3543 61.6081 71.6232 173.8419 22 V 4.0935 8.4522 126.4494 62.8113 31.8034 176.2195 23 L 3.7717 8.8661 129.1147 55.9167 42.8840 177.0104 24 G 4.0606 7.3380 104.0088 45.8884 0.0000 172.5658 25 V 4.9020 8.3894 119.6454 60.8745 34.6392 174.5652 26 K 4.4084 8.9801 129.0337 55.1734 34.6854 175.9764 27 G 3.8101 8.2951 118.3096 47.2514 0.0000 172.7935 28 N 4.7586 8.9583 122.1467 52.5339 37.3425 173.9590 29 Q 4.6898 8.0833 118.7571 54.4904 31.3551 174.5565 30 V 4.7239 8.3919 123.4571 61.0568 34.0155 174.3800 31 R 4.5529 9.2576 128.9946 55.1776 31.6561 174.8922 32 I 5.0258 8.4194 126.2556 59.4322 40.7276 174.7473 33 G 4.1578 9.1345 114.0760 44.4075 0.0000 172.2643 34 V 4.9836 8.4290 124.5966 60.9596 34.1792 173.8803 35 N 5.1241 8.7498 126.0063 51.8895 41.2471 173.0351 36 A 5.0826 8.3475 125.6029 49.9939 22.6617 174.0270 37 P 4.2534 0.0000 0.0000 63.0739 32.0620 178.5783 38 K 3.8474 8.8628 123.7195 57.8819 31.4968 176.8521 39 E 4.1465 8.1160 113.9221 56.9599 29.9212 176.4248 40 V 4.1113 7.6806 120.5993 60.9179 31.9399 174.9194 41 A 4.1299 8.4140 130.8549 51.7715 19.0071 176.5517 42 V 4.3268 8.0567 120.9841 61.2916 33.6980 174.5636 43 H 5.1075 8.4620 123.1135 52.9543 32.7478 174.1653 44 R 4.1028 8.5266 121.4105 56.0919 31.8426 177.6724 45 E 4.0413 8.9215 121.5002 59.9644 28.8895 179.4754 46 E 4.1075 8.2090 117.9824 58.9984 29.5487 179.1550 47 I 3.7692 7.6882 120.2277 64.2311 37.4244 177.1513 48 Y 4.0249 8.3740 120.8224 61.2059 38.5508 178.5628 49 Q 4.0160 8.7471 119.0170 58.7576 28.6699 178.8475 50 R 3.9023 7.6717 118.2069 59.1719 30.2185 179.0013 51 I 3.5925 7.7211 119.5976 64.5022 36.8620 178.4791 52 Q 3.8254 7.5574 117.4494 58.9335 28.5921 178.8556 53 K 4.0676 7.8511 118.2220 59.3162 32.0801 178.8517 54 E 4.1458 7.7495 117.8471 58.5279 29.5435 177.4435 55 K 4.2618 7.7037 122.0965 56.5849 32.3305 176.6059 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 H 8.43 4.87 0.00 2.95 2.92 0.00 7.19 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 8.81 4.83 0.00 3.24 3.06 0.00 5.67 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 L 9.71 4.68 0.00 1.84 1.54 0.92 0.72 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 3 I 8.34 4.55 1.88 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 0.63 0.91 0.00 0.00 4 L 8.18 4.76 0.00 1.68 1.58 0.92 0.68 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 8.21 4.45 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 8.21 4.63 0.00 1.73 1.80 0.00 3.36 0.00 0.00 3.22 7.31 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 9.47 4.22 0.00 1.82 1.85 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 1.64 1.65 0.00 8 V 8.13 3.77 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 0.77 0.00 0.00 0.93 0.00 0.00 9 G 9.76 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 10 E 8.23 4.59 0.00 2.05 1.86 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 2.28 2.36 0.00 11 T 8.32 5.19 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 12 L 8.51 4.85 0.00 1.69 1.74 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 *14 V 8.37 3.91 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 0.95 0.00 0.00 0.91 0.00 0.00 15 G 8.43 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 16 D 8.82 4.53 0.00 2.93 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 17 D 8.01 4.90 0.00 2.65 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 7.39 4.90 2.24 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 0.99 0.00 0.00 0.92 0.00 0.00 19 T 8.82 4.93 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 20 V 8.73 4.60 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 1.05 0.00 0.00 0.92 0.00 0.00 21 T 8.93 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 1.25 0.00 0.00 22 V 8.45 4.09 2.28 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 0.93 0.00 0.00 0.98 0.00 0.00 23 L 8.87 3.77 0.00 1.61 1.70 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.34 4.06 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 0.00 25 V 8.39 4.90 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 0.81 0.00 0.00 0.93 0.00 0.00 26 K 8.98 4.41 0.00 1.76 1.62 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.31 1.34 7.81 27 G 8.30 3.81 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 0.00 0.00 0.00 28 N 8.96 4.76 0.00 2.82 2.91 0.00 0.00 5.73 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 8.08 4.69 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 30 V 8.39 4.72 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 0.77 0.00 0.00 0.93 0.00 0.00 31 R 9.26 4.55 0.00 1.89 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 1.56 1.60 0.00 32 I 8.42 5.03 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 0.79 0.90 0.00 0.00 33 G 9.13 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.98 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 8.75 5.12 0.00 2.80 2.61 0.00 0.00 6.53 7.76 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 36 A 8.35 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 4.25 0.00 2.19 2.06 0.00 3.62 0.00 0.00 4.03 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 8.86 3.85 0.00 1.77 1.76 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.03 7.81 39 E 8.12 4.15 0.00 2.07 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 0.00 2.27 2.24 0.00 40 V 7.68 4.11 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 0.78 0.00 0.00 0.93 0.00 0.00 41 A 8.41 4.13 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 42 V 8.06 4.33 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 8.46 5.11 0.00 3.30 3.21 0.00 5.76 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.53 4.10 0.00 1.89 2.17 0.00 3.38 0.00 0.00 3.41 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 45 E 8.92 4.04 0.00 2.22 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 0.00 2.39 2.42 0.00 46 E 8.21 4.11 0.00 2.20 2.28 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 2.39 2.36 0.00 47 I 7.69 3.77 2.02 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 1.55 0.91 0.83 0.00 0.00 48 Y 8.37 4.02 0.00 3.08 3.17 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 49 Q 8.75 4.02 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.70 2.62 0.00 50 R 7.67 3.90 0.00 2.00 1.94 0.00 3.12 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 51 I 7.72 3.59 1.76 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.01 0.76 0.00 0.00 52 Q 7.56 3.83 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.99 0.00 0.00 0.00 0.00 0.00 1.71 2.22 0.00 53 K 7.85 4.07 0.00 1.70 1.85 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.65 7.81 54 E 7.75 4.15 0.00 1.98 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 0.00 2.31 2.51 0.00 55 K 7.70 4.26 0.00 1.70 1.68 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.52 7.81 * Residues marked with a * may have inaccurate shift predictions.