NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8121 8.3501 109.7389 45.6839 0.0000 172.7128 3 A 4.6183 7.5690 124.3456 49.7348 22.0609 175.0387 4 Q 4.4891 8.7963 113.7750 55.0999 32.7035 172.2610 5 V 4.5713 8.2875 122.2830 61.2997 33.3525 174.7632 6 S 4.7976 7.7570 122.2635 56.6803 66.9904 173.7710 7 T 4.4394 8.5201 118.2780 63.8550 69.2825 174.5372 8 Q 4.5366 8.5167 123.8798 54.7947 30.8807 175.4519 9 K 4.2701 8.5131 121.7121 55.9041 31.8424 175.0431 10 T 4.7742 8.1914 117.3917 60.1063 71.5518 173.3332 11 G 3.7815 8.5087 108.2436 46.1983 0.0000 173.7940 *25 I 3.8660 7.3493 113.3917 61.0036 38.6914 174.3919 26 H 5.6478 8.4939 120.2490 54.5534 32.4532 172.2226 27 Y 4.9133 8.3242 116.1658 56.6815 41.1271 175.1592 28 T 4.5705 8.6859 120.0764 63.7301 70.1182 173.3569 29 N 4.7941 8.4069 119.0351 53.0339 42.9260 173.3394 30 I 4.9321 8.1339 124.9966 59.5896 41.3595 174.3289 31 N 4.4952 8.6031 122.7873 52.3676 39.6029 174.8481 32 Y 4.6227 8.2800 119.6985 58.5929 39.1123 175.2592 33 Y 4.6999 7.9493 116.4928 56.1921 40.0129 175.8096 34 K 4.1603 8.6479 121.1006 58.5187 32.9092 177.2067 35 D 4.6942 8.0590 119.3497 52.5868 41.6326 177.0884 36 A 4.2088 8.7634 127.6391 54.8364 18.5655 179.0357 37 A 4.1030 7.9065 117.5572 54.9652 18.6148 178.9539 38 S 4.0842 8.1991 111.8637 60.9644 63.0463 174.6943 39 N 4.4808 7.5690 117.4791 52.8438 38.7887 174.7564 40 S 4.3450 8.1986 114.2681 57.3221 64.1251 173.9247 41 A 3.9268 8.2569 124.5262 52.2250 18.5098 177.4480 42 N 4.6036 8.5736 120.3032 52.3578 36.6141 175.0461 43 R 4.2925 8.2190 122.1921 56.3425 31.4582 177.8822 44 Q 4.3498 7.8861 115.3991 56.3341 28.8382 175.6299 45 D 4.5181 7.0220 117.7673 54.4879 41.6998 176.6048 46 F 4.8933 8.0873 122.3595 57.1782 40.2886 174.9897 47 T 4.2033 8.1736 116.6008 63.7388 69.0483 174.0808 48 Q 4.3624 7.8746 118.8006 55.8664 31.5487 173.1522 49 D 4.6946 8.2263 124.3701 51.3693 42.2704 173.5148 50 P 4.6160 0.0000 0.0000 64.2779 31.4563 178.0426 51 G 4.1618 8.2675 103.6344 46.8494 0.0000 175.5171 52 K 3.8347 7.0580 119.9909 59.5783 32.1126 178.9823 53 F 4.4043 7.3107 116.1653 58.5494 39.6470 175.9165 54 T 4.6164 8.0830 108.2403 60.7981 70.9633 173.9323 55 E 4.0362 8.7795 121.0403 57.1842 26.8271 173.8972 56 P 4.7161 0.0000 0.0000 63.1966 30.8189 176.3043 57 V 3.9765 7.7300 112.8195 61.1860 32.2063 177.4981 58 K 3.6797 8.6097 124.0875 58.1169 32.3901 176.1505 59 D 4.8691 7.2097 118.3711 52.2415 42.1244 176.1402 60 I 3.7612 8.3898 125.9115 61.6333 37.6014 175.3075 61 M 4.4888 8.4368 124.8590 53.3795 33.7134 175.6238 62 V 3.8850 8.2071 124.0398 61.7303 32.4137 175.9917 63 K 3.8371 9.0018 129.0954 59.8545 32.0323 177.8839 64 S 4.1960 8.0716 112.7745 61.3777 62.8834 174.5377 65 M 4.4177 7.6070 119.4613 53.6229 32.8393 173.5105 66 P 4.7039 0.0000 0.0000 61.6358 33.0060 176.1390 67 A 4.4287 8.4198 121.3806 52.6570 18.3444 177.6577 68 L 4.4736 7.4789 116.2943 54.2706 45.5137 175.4387 69 N 4.3946 8.5927 121.5615 54.1105 38.7140 173.7584 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 G 8.35 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 3 A 7.57 4.62 1.30 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 4 Q 8.80 4.49 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.72 0.00 0.00 0.00 0.00 0.00 2.20 2.50 0.00 5 V 8.29 4.57 1.93 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 0.69 0.00 0.00 0.85 0.00 0.00 6 S 7.76 4.80 0.00 3.29 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.52 4.44 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 1.24 0.00 0.00 8 Q 8.52 4.54 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.89 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 9 K 8.51 4.27 0.00 1.75 1.76 0.00 1.65 0.00 0.00 1.89 0.00 0.00 3.20 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.50 7.81 10 T 8.19 4.77 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 1.27 0.00 0.00 11 G 8.51 3.78 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 0.00 0.00 0.00 *25 I 7.35 3.87 2.03 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 1.41 0.72 0.93 0.00 0.00 26 H 8.49 5.65 0.00 2.96 3.39 0.00 5.89 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.32 4.91 0.00 3.08 3.04 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 0.00 0.00 0.00 0.00 28 T 8.69 4.57 4.28 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 1.21 0.00 0.00 29 N 8.41 4.79 0.00 2.92 2.57 0.00 0.00 7.29 7.99 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 30 I 8.13 4.93 1.90 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 1.41 0.67 0.96 0.00 0.00 31 N 8.60 4.50 0.00 2.67 2.81 0.00 0.00 6.93 7.46 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 32 Y 8.28 4.62 0.00 2.79 2.72 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 33 Y 7.95 4.70 0.00 2.95 2.94 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 34 K 8.65 4.16 0.00 1.80 1.90 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.48 7.81 35 D 8.06 4.69 0.00 2.74 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 8.76 4.21 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 37 A 7.91 4.10 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 38 S 8.20 4.08 0.00 3.93 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 39 N 7.57 4.48 0.00 2.77 2.74 0.00 0.00 7.02 7.70 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 40 S 8.20 4.35 0.00 3.95 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.26 3.93 1.22 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 0.00 0.00 0.00 42 N 8.57 4.60 0.00 2.80 2.86 0.00 0.00 6.03 7.66 0.00 0.00 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 R 8.22 4.29 0.00 1.81 1.88 0.00 3.07 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.77 0.00 44 Q 7.89 4.35 0.00 2.10 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.00 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 45 D 7.02 4.52 0.00 2.52 2.33 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 46 F 8.09 4.89 0.00 3.06 2.95 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 0.00 0.00 0.00 47 T 8.17 4.20 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 1.25 0.00 0.00 48 Q 7.87 4.36 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.03 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 49 D 8.23 4.69 0.00 2.75 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 50 P 0.00 4.62 0.00 2.27 2.18 0.00 3.71 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 51 G 8.27 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 52 K 7.06 3.83 0.00 0.79 0.93 0.00 1.49 0.00 0.00 1.35 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.20 1.55 7.81 53 F 7.31 4.40 0.00 3.07 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 54 T 8.08 4.62 4.28 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 1.30 0.00 0.00 55 E 8.78 4.04 0.00 2.21 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 0.00 2.30 2.29 0.00 56 P 0.00 4.72 0.00 2.14 2.35 0.00 3.76 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 57 V 7.73 3.98 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 0.74 0.00 0.00 1.01 0.00 0.00 58 K 8.61 3.68 0.00 1.70 1.83 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.45 7.81 59 D 7.21 4.87 0.00 2.54 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.39 3.76 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 1.41 0.33 0.91 0.00 0.00 61 M 8.44 4.49 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.49 0.00 62 V 8.21 3.89 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 0.98 0.00 0.00 0.93 0.00 0.00 63 K 9.00 3.84 0.00 1.75 1.85 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.49 7.81 64 S 8.07 4.20 0.00 3.90 3.92 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 65 M 7.61 4.42 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.47 0.00 66 P 0.00 4.70 0.00 2.21 2.16 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 67 A 8.42 4.43 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 68 L 7.48 4.47 0.00 1.64 1.55 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.59 4.39 0.00 2.63 2.61 0.00 0.00 7.08 7.56 0.00 0.00 0.00 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.