NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3369 8.2649 123.5724 52.0679 20.4793 176.8273 2 S 4.3103 7.5991 108.7425 59.4816 68.2786 173.4333 3 A 4.4661 8.5167 125.3442 51.4427 18.2713 178.5176 4 T 4.3491 7.0881 121.0740 61.0276 67.9809 173.2871 5 W 5.0551 7.8024 122.4733 54.2272 33.5610 174.5500 6 G 3.5127 8.6229 107.4304 46.2945 0.0000 174.7754 7 A 4.2647 7.8113 119.5464 52.1151 19.2272 177.1589 8 A 4.3451 7.6287 119.5414 53.4688 20.5380 177.1310 9 Y 4.3736 6.6343 116.4813 55.5154 38.2748 175.8294 *11 A 4.2405 8.3854 128.0035 52.6160 20.5094 179.1492 12 C 4.0039 8.2707 114.1630 59.2789 44.7924 174.7060 13 E 4.3954 8.0826 119.1326 57.9518 30.4796 177.1306 14 N 4.3198 8.2845 116.1972 56.4683 38.4498 176.5257 15 N 4.2903 8.8201 118.6148 56.4950 37.1802 176.3150 16 C 4.4141 8.4268 117.8252 58.4752 40.1907 176.1037 17 R 3.9528 7.8983 120.4847 59.3845 30.0699 178.1637 18 K 4.0559 8.1197 117.7221 59.3738 32.1251 178.6722 19 K 3.8684 8.2722 120.0180 60.0981 31.5726 177.4190 20 Y 4.3392 8.5164 119.6514 61.2042 38.4280 177.8601 21 D 3.9952 7.8675 117.1153 55.3916 41.1501 177.5562 22 L 4.5040 7.7635 118.1922 54.5638 42.2288 175.7290 23 C 4.7577 7.3941 117.8674 57.1854 45.3816 174.8463 24 I 3.5744 7.2690 120.8487 60.8159 35.0592 176.6541 25 R 4.4241 7.1673 128.2684 54.8091 29.8105 178.6947 26 C 4.3056 7.7613 116.8147 58.8017 41.0950 174.2129 27 Q 4.8279 7.8653 117.0169 54.8339 31.0559 174.8506 28 G 3.9338 8.7478 108.3774 45.9637 0.0000 175.4538 29 K 3.8123 9.0633 120.2321 58.7813 33.1975 178.2331 30 W 4.6507 8.5154 118.3187 55.6088 29.7546 174.7903 31 A 4.3408 7.7395 122.7284 50.0570 16.5891 177.7950 32 G 4.1268 8.2313 108.0988 45.3124 0.0000 173.5260 33 K 4.4783 9.1280 118.6957 57.3357 32.0552 179.2070 34 R 3.6366 7.8143 118.7815 59.2896 30.6644 178.4452 35 G 4.0181 7.7781 107.2624 48.0289 0.0000 174.0279 36 K 4.5182 8.7233 118.6933 56.9869 33.9731 175.8428 37 C 2.0000 8.2850 114.7771 57.7482 41.9734 174.9581 38 A 3.9827 8.2249 122.5724 52.3589 17.5968 179.5166 39 A 3.7926 7.8996 118.5503 54.1422 19.4540 178.8995 40 H 4.0165 8.2208 115.8949 60.1764 30.2260 176.4368 41 C 4.8167 7.7969 117.7290 59.3458 35.5937 175.9975 42 I 2.7955 8.0055 120.6390 63.7944 37.4991 177.8452 43 I 3.7808 7.9855 120.3868 64.1988 36.7973 177.7561 44 Q 4.0974 8.0544 120.1180 57.9715 28.6130 177.7632 45 K 3.9231 8.0332 120.0235 60.1606 31.9443 178.4225 46 N 4.4754 7.8151 115.4961 55.9286 38.8706 176.9365 47 N 4.4426 8.2331 118.2927 56.2751 38.6496 176.2526 48 C 4.0546 8.2610 120.0254 59.9716 41.9442 175.8950 49 K 4.0392 7.8130 117.7611 58.3802 31.4144 178.1963 50 G 4.0815 8.1948 104.7892 44.5472 0.0000 174.6239 51 K 4.2929 8.2055 120.3476 57.8680 33.8424 176.5089 52 C 3.9839 7.8812 115.3387 57.3901 41.4021 173.8891 53 K 4.9816 7.0587 115.0766 54.3104 33.5679 176.3041 54 K 4.5273 8.7878 118.4506 56.2044 33.1526 176.7614 55 E 4.2765 7.9059 122.1780 56.3983 29.7172 175.3271 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 A 8.26 4.34 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 2 S 7.60 4.31 0.00 3.90 3.83 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 3 A 8.52 4.47 1.31 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 0.00 0.00 4 T 7.09 4.35 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 5 W 7.80 5.06 0.00 3.34 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 6 G 8.62 3.51 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 0.00 0.00 0.00 7 A 7.81 4.26 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 8 A 7.63 4.35 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 9 Y 6.63 4.37 0.00 3.13 3.12 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 0.00 0.00 0.00 0.00 *11 A 8.39 4.24 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 12 C 8.27 4.00 0.00 3.02 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.08 4.40 0.00 2.11 1.98 0.00 0.00 0.00 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 2.35 0.00 14 N 8.28 4.32 0.00 2.93 2.91 0.00 0.00 6.89 6.97 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 15 N 8.82 4.29 0.00 2.88 3.12 0.00 0.00 6.99 7.81 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 16 C 8.43 4.41 0.00 3.15 3.28 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 0.00 17 R 7.90 3.95 0.00 1.86 2.21 0.00 3.32 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 18 K 8.12 4.06 0.00 1.98 1.85 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.46 7.81 19 K 8.27 3.87 0.00 2.08 1.99 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.68 7.81 20 Y 8.52 4.34 0.00 3.10 3.30 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 0.00 0.00 0.00 0.00 21 D 7.87 4.00 0.00 2.80 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 7.76 4.50 0.00 1.64 1.66 0.92 0.69 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 23 C 7.39 4.76 0.00 3.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.27 3.57 1.61 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.45 0.71 0.00 0.00 25 R 7.17 4.42 0.00 2.09 2.01 0.00 3.31 0.00 0.00 3.35 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.65 0.00 26 C 7.76 4.31 0.00 2.95 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.87 4.83 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.26 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 28 G 8.75 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 9.06 3.81 0.00 1.82 2.34 0.00 1.90 0.00 0.00 1.98 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.50 7.81 30 W 8.52 4.65 0.00 3.40 3.23 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 31 A 7.74 4.34 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.23 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.13 4.48 0.00 2.02 2.18 0.00 1.80 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.34 7.81 34 R 7.81 3.64 0.00 1.99 1.91 0.00 3.13 0.00 0.00 3.14 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 35 G 7.78 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 36 K 8.72 4.52 0.00 2.30 2.27 0.00 1.78 0.00 0.00 1.85 0.00 0.00 3.09 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.48 1.47 7.81 37 C 8.28 2.00 0.00 1.96 2.67 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 0.00 0.00 0.00 0.00 38 A 8.22 3.98 1.21 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 39 A 7.90 3.79 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 40 H 8.22 4.02 0.00 3.51 3.41 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 C 7.80 4.82 0.00 3.33 3.46 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 0.00 0.00 0.00 0.00 42 I 8.01 2.80 1.76 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.22 0.88 0.00 0.00 43 I 7.99 3.78 1.99 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 1.50 0.68 0.93 0.00 0.00 44 Q 8.05 4.10 0.00 2.52 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.87 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 45 K 8.03 3.92 0.00 2.02 1.71 0.00 1.76 0.00 0.00 1.95 0.00 0.00 2.55 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.72 7.81 46 N 7.82 4.48 0.00 2.70 2.80 0.00 0.00 6.96 7.81 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 47 N 8.23 4.44 0.00 2.89 2.85 0.00 0.00 6.59 8.47 0.00 0.00 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 C 8.26 4.05 0.00 3.21 3.36 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 49 K 7.81 4.04 0.00 2.08 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.80 7.81 50 G 8.19 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 51 K 8.21 4.29 0.00 1.79 1.88 0.00 1.56 0.00 0.00 1.68 0.00 0.00 3.21 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.36 7.81 52 C 7.88 3.98 0.00 2.82 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.06 4.98 0.00 1.99 2.05 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.19 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.68 1.42 7.81 54 K 8.79 4.53 0.00 1.76 1.85 0.00 1.69 0.00 0.00 1.93 0.00 0.00 3.32 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.41 1.38 7.81 55 E 7.91 4.28 0.00 2.04 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.