NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 25 S 4.5373 8.3349 116.7522 58.6623 65.0198 174.2818 26 S 4.1547 8.2401 113.6929 58.1677 63.6138 171.9257 27 Q 4.6595 9.5263 124.9812 54.6834 31.5378 173.5896 28 Y 5.1383 9.0535 123.9278 56.7062 41.3747 175.0260 29 I 5.7754 7.9700 121.0519 59.4996 42.7016 173.6425 *31 S 4.5747 8.4555 116.9836 59.2995 64.3796 173.5597 32 T 4.8427 8.5540 121.3813 61.9160 69.7206 175.9336 33 K 3.9193 9.0512 127.4349 59.7162 32.2254 177.5112 34 D 4.4551 7.9447 115.5829 53.9075 39.5814 176.6830 35 G 4.0936 8.3767 108.2847 45.5433 0.0000 175.7719 36 K 4.1735 8.6614 120.6694 55.8991 33.2076 175.3884 *38 I 4.0325 8.1379 120.1448 62.3520 38.1873 175.0051 39 T 4.9730 7.9886 114.1928 60.5143 71.0847 173.6484 40 S 4.7905 8.6150 114.1366 58.0752 65.5719 175.3375 41 D 4.8599 8.8922 124.9157 54.6422 41.2963 176.5032 42 S 4.7939 7.6001 115.1550 55.8112 66.2006 173.8115 43 K 2.4800 8.2376 124.6128 55.0997 32.1963 174.8494 44 P 4.5985 0.0000 0.0000 62.9912 32.1643 175.4034 45 K 4.5016 9.0408 125.5231 54.7434 33.8119 174.8257 46 L 3.8265 8.5452 130.4263 54.6100 42.9196 175.4685 47 D 4.6310 8.3323 126.7011 52.5785 41.3949 176.8970 48 K 3.9536 8.5911 126.4715 59.2782 32.6044 179.2045 49 T 3.9829 8.0917 115.8384 66.2086 68.2801 175.2879 50 T 4.2738 7.9680 107.4561 60.2284 69.9356 173.4702 51 G 3.5870 7.8974 114.0321 46.0241 0.0000 170.3593 *53 Y 4.7411 7.8389 119.2675 58.0530 39.4186 174.1684 54 L 4.9670 8.7597 124.8272 53.8258 43.9955 175.3378 55 Y 5.1984 8.1179 119.1527 56.6246 42.0100 172.8171 56 Y 4.7504 8.8375 117.6224 56.1490 40.2550 175.7943 57 D 4.9298 8.2277 123.3891 51.8188 41.0913 175.7248 58 E 4.1724 8.7448 119.8386 58.1301 30.2685 177.3710 59 D 4.3316 8.7213 123.6455 53.7000 38.1816 171.8345 60 G 4.3002 6.9561 103.6408 46.1244 0.0000 170.2173 61 R 4.4375 7.6300 119.5683 54.9553 32.1066 175.5471 62 E 4.0988 8.1055 115.7451 56.6122 30.7615 176.7697 63 V 3.8757 7.5246 118.9201 60.7528 34.7301 172.7759 *65 I 4.2271 8.2980 119.3211 61.0940 39.0402 177.1305 66 K 4.3038 8.5909 128.1759 56.3101 33.0136 177.5683 67 Q 4.2617 9.4835 125.6732 59.3591 29.0514 178.7265 68 E 4.0544 8.1976 113.5922 58.9544 29.8177 177.3817 69 D 4.4744 8.1107 118.9291 55.3145 41.3479 175.7687 70 V 4.5853 7.6429 120.2540 61.5181 32.2274 175.6088 71 T 4.2308 8.8592 118.9014 63.8654 69.4133 174.8149 72 Q 4.5325 7.4081 116.3249 55.0435 30.8918 173.1810 73 I 4.3322 8.2002 119.7984 59.6064 39.6602 174.9423 74 I 4.4024 8.7883 127.2007 59.5012 39.2377 174.1956 75 E 4.2967 8.6945 128.2924 54.4071 31.1421 174.8997 76 R 4.5040 8.2800 126.4868 54.2206 32.2672 175.7594 77 L 4.3459 8.4511 124.2696 54.6609 42.6462 176.3134 78 E 4.6013 8.4711 121.0736 55.5438 30.7086 175.7983 79 H 4.6827 8.6546 117.5048 55.5085 31.0715 173.3350 80 H 4.8446 7.9194 116.1805 55.9207 29.2892 174.6928 81 H 4.5251 7.7036 120.2791 55.8084 28.7050 174.7494 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 25 S 8.33 4.54 0.00 3.78 4.31 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 26 S 8.24 4.15 0.00 3.84 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 9.53 4.66 0.00 2.11 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 28 Y 9.05 5.14 0.00 3.14 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.97 5.78 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.82 0.87 0.00 0.00 *31 S 8.46 4.57 0.00 3.77 3.80 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 32 T 8.55 4.84 4.34 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 1.35 0.00 0.00 33 K 9.05 3.92 0.00 1.67 1.87 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.41 7.81 34 D 7.94 4.46 0.00 2.83 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.38 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.66 4.17 0.00 1.78 1.76 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.65 1.56 7.81 *38 I 8.14 4.03 1.62 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 0.89 0.67 0.00 0.00 39 T 7.99 4.97 4.27 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 1.21 0.00 0.00 40 S 8.61 4.79 0.00 3.92 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.89 4.86 0.00 2.76 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.60 4.79 0.00 3.87 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 43 K 8.24 2.48 0.00 1.26 1.52 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.14 7.81 44 P 0.00 4.60 0.00 2.14 2.00 0.00 3.20 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.73 0.00 45 K 9.04 4.50 0.00 1.91 1.76 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.39 7.81 46 L 8.55 3.83 0.00 0.84 1.34 0.17 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.33 4.63 0.00 2.73 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.59 3.95 0.00 1.74 1.82 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.39 7.81 49 T 8.09 3.98 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 50 T 7.97 4.27 4.22 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 0.00 0.00 1.19 0.00 0.00 51 G 7.90 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.84 4.74 0.00 3.12 2.99 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 54 L 8.76 4.97 0.00 1.71 1.50 0.78 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 55 Y 8.12 5.20 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 8.84 4.75 0.00 3.00 2.97 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 57 D 8.23 4.93 0.00 2.92 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.74 4.17 0.00 2.00 1.99 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 2.36 2.47 0.00 59 D 8.72 4.33 0.00 2.81 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 60 G 6.96 4.30 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 0.00 0.00 0.00 61 R 7.63 4.44 0.00 1.85 1.79 0.00 3.14 0.00 0.00 3.36 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 62 E 8.11 4.10 0.00 1.44 1.12 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 2.05 2.07 0.00 63 V 7.52 3.88 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 0.74 0.00 0.00 *65 I 8.30 4.23 2.09 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.78 1.16 0.00 0.00 66 K 8.59 4.30 0.00 1.90 1.75 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.46 7.81 67 Q 9.48 4.26 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 68 E 8.20 4.05 0.00 2.13 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 2.30 2.37 0.00 69 D 8.11 4.47 0.00 3.08 2.77 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 70 V 7.64 4.59 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 0.63 0.00 0.00 0.95 0.00 0.00 71 T 8.86 4.23 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 1.23 0.00 0.00 72 Q 7.41 4.53 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.75 0.00 0.00 0.00 0.00 0.00 2.19 2.32 0.00 73 I 8.20 4.33 1.84 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.44 0.96 0.00 0.00 74 I 8.79 4.40 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.00 0.86 0.00 0.00 75 E 8.69 4.30 0.00 1.73 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.66 0.00 76 R 8.28 4.50 0.00 1.77 1.73 0.00 3.11 0.00 0.00 3.12 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.47 0.00 77 L 8.45 4.35 0.00 1.41 1.34 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.47 4.60 0.00 1.85 1.88 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 2.23 2.39 0.00 79 H 8.65 4.68 0.00 2.87 3.11 0.00 5.88 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 H 7.92 4.84 0.00 3.13 3.27 0.00 5.69 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 7.70 4.53 0.00 3.21 3.30 0.00 5.75 0.00 0.00 0.00 0.00 6.91 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.