NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 25 S 4.6117 8.3193 116.7475 58.4776 64.4554 173.1256 26 S 4.2813 8.5766 117.8691 57.7034 64.4983 171.2998 27 Q 4.7976 9.2428 119.8204 54.5429 32.3241 175.8424 28 Y 4.9804 8.6526 117.4906 56.5692 42.1517 174.9931 29 I 5.6604 8.4945 123.5027 58.4585 41.9998 174.2014 *31 S 4.7008 8.3577 117.3660 59.0110 64.2715 173.8070 32 T 5.5547 8.0772 113.7273 59.1220 71.2985 175.4278 33 K 4.0623 8.8263 122.0407 59.7478 32.1302 178.3313 34 D 4.3054 8.2892 117.2478 54.8496 39.1873 177.1717 35 G 3.9668 8.2988 108.2265 45.6053 0.0000 174.3301 36 K 4.4919 8.0747 120.3985 55.5038 32.9115 175.5785 *38 I 4.0743 8.0093 123.2631 62.4179 38.2412 174.6784 39 T 5.0384 7.9563 112.4300 60.4133 71.4528 173.5265 40 S 4.7242 8.2191 114.1235 57.6688 65.5666 175.1187 41 D 4.9186 9.1242 125.3604 54.7525 41.2630 176.3850 42 S 4.8777 7.7153 111.8523 55.4519 65.9534 173.4001 43 K 2.5092 8.0765 122.4573 54.9310 32.2922 174.7565 44 P 4.5165 0.0000 0.0000 63.0525 32.0423 175.8737 45 K 4.3515 9.0435 124.9565 55.2591 33.2493 175.5692 46 L 3.9912 8.3272 128.2641 53.7020 43.1670 175.3986 47 D 4.5607 8.3278 126.2798 52.8200 41.4857 176.7819 48 K 3.9170 8.6461 127.4697 59.6613 32.4928 178.7868 49 T 4.0649 7.8831 108.2016 64.6686 69.0788 175.9626 50 T 3.9521 8.1022 111.0891 61.5449 69.8616 173.5594 51 G 3.4409 7.8814 111.7698 45.8127 0.0000 171.5027 *53 Y 4.6810 7.4293 115.8598 58.1335 39.8186 175.4207 54 L 5.1408 8.5730 123.3884 53.3853 45.2168 175.0202 55 Y 4.9062 8.0550 118.3587 56.7396 41.5707 172.5551 56 Y 5.4397 9.1650 117.5493 55.6805 40.3830 176.1419 57 D 5.2155 8.3748 121.9325 52.9057 40.3657 176.3940 58 E 4.0914 8.8584 114.4414 60.1348 29.6951 178.4423 59 D 4.5464 8.0824 115.5142 55.0260 40.8357 176.6458 60 G 3.8175 7.7935 107.2432 46.4930 0.0000 173.4187 61 R 4.4749 8.1664 120.7724 54.3768 31.5661 175.0292 62 E 3.7795 8.8516 128.2272 56.3763 30.5025 175.6351 63 V 4.1840 8.1906 126.7820 60.8517 35.6303 173.5340 *65 I 4.2314 8.1704 119.4138 60.3318 38.8897 175.6152 66 K 4.1419 8.4289 125.9556 56.5676 32.7461 177.9680 67 Q 4.4060 8.7496 123.3587 59.0078 29.2345 178.3009 68 E 4.1245 8.1564 116.3189 58.7764 29.8992 177.3130 69 D 4.5016 8.0469 117.7865 55.0926 41.4110 175.9167 70 V 4.4448 7.1988 119.5808 61.7338 32.0463 175.3884 71 T 4.3164 8.9374 118.5128 63.4379 69.7305 174.8514 72 Q 4.6527 7.3562 116.3851 55.0100 31.3013 174.0122 73 I 4.6485 8.2410 120.9981 59.8023 40.2703 174.6346 74 I 4.3098 8.9892 128.8204 59.5909 39.3272 174.5535 75 E 4.3013 8.6237 128.3941 54.3636 30.4744 175.3556 76 R 4.1191 8.3577 129.5604 55.3628 30.6199 175.7382 77 L 4.3552 8.3343 126.7335 54.6508 42.6636 176.0910 78 E 4.4453 8.4400 122.6265 55.1065 31.0953 174.9684 79 H 5.0823 8.2502 124.7806 55.6746 31.3076 173.7175 80 H 4.4889 8.8460 118.5150 57.5238 28.6835 174.4473 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 8.32 4.61 0.00 3.81 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 26 S 8.58 4.28 0.00 3.76 3.71 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 0.00 0.00 0.00 27 Q 9.24 4.80 0.00 1.90 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.80 0.00 0.00 0.00 0.00 0.00 2.24 2.43 0.00 28 Y 8.65 4.98 0.00 2.89 2.76 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 0.00 0.00 0.00 0.00 29 I 8.49 5.66 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 2.05 0.87 0.00 0.00 *31 S 8.36 4.70 0.00 3.87 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 8.08 5.55 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 1.18 0.00 0.00 33 K 8.83 4.06 0.00 1.66 1.93 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.46 7.81 34 D 8.29 4.31 0.00 2.76 2.82 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 35 G 8.30 3.97 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 0.00 0.00 0.00 36 K 8.07 4.49 0.00 1.88 1.62 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.53 7.81 *38 I 8.01 4.07 1.60 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 1.47 1.08 0.85 0.00 0.00 39 T 7.96 5.04 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 1.21 0.00 0.00 40 S 8.22 4.72 0.00 3.77 3.70 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 41 D 9.12 4.92 0.00 2.78 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 42 S 7.72 4.88 0.00 3.95 3.86 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 0.00 0.00 0.00 43 K 8.08 2.51 0.00 1.18 1.54 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.26 1.17 7.81 44 P 0.00 4.52 0.00 1.95 2.01 0.00 3.39 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.95 0.00 45 K 9.04 4.35 0.00 1.69 1.75 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.57 7.81 46 L 8.33 3.99 0.00 0.49 1.28 0.11 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.33 4.56 0.00 2.71 2.45 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 48 K 8.65 3.92 0.00 1.74 1.82 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.35 7.81 49 T 7.88 4.06 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 50 T 8.10 3.95 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 1.23 0.00 0.00 51 G 7.88 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.43 4.68 0.00 3.18 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 54 L 8.57 5.14 0.00 1.48 1.36 0.81 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 55 Y 8.05 4.91 0.00 3.04 2.98 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 0.00 0.00 0.00 56 Y 9.16 5.44 0.00 2.87 2.92 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 57 D 8.37 5.22 0.00 2.87 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 58 E 8.86 4.09 0.00 2.13 2.06 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 2.43 2.44 0.00 59 D 8.08 4.55 0.00 2.69 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 60 G 7.79 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 0.00 0.00 0.00 61 R 8.17 4.47 0.00 1.94 2.05 0.00 3.07 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 62 E 8.85 3.78 0.00 1.86 1.69 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 1.99 1.66 0.00 63 V 8.19 4.18 0.77 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 0.71 0.00 0.00 0.69 0.00 0.00 *65 I 8.17 4.23 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.00 1.18 0.00 0.00 66 K 8.43 4.14 0.00 2.02 1.97 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.46 7.81 67 Q 8.75 4.41 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.82 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 68 E 8.16 4.12 0.00 2.01 2.02 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 2.33 2.41 0.00 69 D 8.05 4.50 0.00 2.91 2.71 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 0.00 0.00 0.00 70 V 7.20 4.44 2.02 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 0.54 0.00 0.00 0.82 0.00 0.00 71 T 8.94 4.32 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 72 Q 7.36 4.65 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.77 0.00 0.00 0.00 0.00 0.00 2.20 2.34 0.00 73 I 8.24 4.65 1.85 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.51 0.95 0.00 0.00 74 I 8.99 4.31 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 0.77 0.86 0.00 0.00 75 E 8.62 4.30 0.00 1.87 1.74 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 1.67 1.47 0.00 76 R 8.36 4.12 0.00 1.89 1.69 0.00 3.13 0.00 0.00 3.11 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 77 L 8.33 4.36 0.00 1.38 1.37 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.44 4.45 0.00 1.89 1.75 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 2.16 2.28 0.00 79 H 8.25 5.08 0.00 2.91 3.01 0.00 5.91 0.00 0.00 0.00 0.00 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 H 8.85 4.49 0.00 3.32 3.24 0.00 5.73 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.