NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2745 8.3049 120.3525 54.8715 34.0650 174.5793 2 Y 4.8220 7.8350 114.2047 55.6552 41.0374 173.3974 3 L 5.2842 9.4144 120.1962 53.1874 46.1588 176.8839 4 T 4.3116 9.4240 113.0123 61.4834 70.0580 175.0088 5 L 3.3403 8.9699 123.3118 58.5812 41.8856 179.0757 6 Q 4.0002 8.0559 116.9543 59.2104 28.5215 178.6809 7 E 4.0212 7.9075 118.0134 58.9965 29.8474 179.0300 8 W 4.1751 8.5043 128.9236 60.4478 30.7398 177.7133 9 N 4.2362 8.8043 117.2659 56.5603 38.1387 176.6105 10 A 4.0559 7.9493 121.2060 54.0843 18.5301 178.1206 11 R 4.2708 7.2196 113.8898 56.0794 30.9443 176.8550 12 Q 3.9645 7.1171 117.0724 55.2586 29.4009 176.4879 13 R 3.9113 8.5896 119.4898 59.0997 30.0811 177.7339 14 R 4.4728 7.5637 120.1388 53.3953 30.8773 173.9245 15 P 4.5332 0.0000 0.0000 62.5108 31.9007 176.2358 16 R 4.7004 8.3202 120.6326 53.3778 33.5732 176.0574 17 S 4.2850 8.1287 113.3601 58.5638 64.7249 175.2104 18 L 3.9313 8.3008 122.8812 57.7589 41.4374 179.2188 19 E 3.8639 8.1001 118.8254 59.7507 29.5530 178.8835 20 T 3.5601 7.3208 115.3654 66.5869 68.5301 176.8522 21 V 3.0741 7.1173 119.8749 65.5403 31.4968 178.3707 22 R 3.9334 8.0686 118.0736 59.3297 29.9633 178.8770 23 R 3.9849 8.2978 118.1982 59.3828 30.0869 179.0931 24 W 4.4470 7.9737 118.4062 59.7713 29.0471 178.7756 25 V 3.3710 7.7042 117.8972 66.0614 30.7071 178.0720 26 R 3.9797 8.2166 116.8080 59.0202 29.9661 177.8793 27 E 4.4673 7.8742 115.0399 55.2188 29.8849 176.0462 28 S 3.7342 7.8899 113.7313 60.1612 60.9505 172.4808 29 R 4.8772 8.4098 116.4104 55.2424 30.9755 175.8375 30 I 4.9136 7.5654 120.8446 59.4098 40.2177 174.1865 31 F 4.9015 8.9699 128.7084 55.4323 42.4958 172.6373 32 P 3.5085 0.0000 0.0000 61.2163 31.9998 174.4315 33 P 4.3135 0.0000 0.0000 61.3055 31.9288 174.6015 34 P 4.3907 0.0000 0.0000 62.7592 32.3454 175.4685 35 V 4.3800 7.9587 120.4281 59.7903 33.9141 174.6492 36 K 4.4208 8.5716 125.3730 55.8369 33.1795 175.4670 37 D 4.5735 9.0124 127.0773 52.6353 44.2280 177.6315 38 G 3.9441 9.3085 119.8699 46.3464 0.0000 173.0714 39 R 4.4584 9.1990 117.2206 55.3544 31.4560 175.8916 40 E 4.6569 7.7748 116.2667 54.5898 32.6744 174.2786 41 Y 4.8574 8.3548 117.5300 57.6836 39.4616 174.7833 42 L 5.0663 9.0335 123.0908 53.1662 44.5490 175.6594 43 F 4.9191 10.2904 123.6817 56.0188 41.3676 175.5081 44 H 4.5831 8.8828 119.2875 55.7618 29.2686 176.1321 45 E 4.1147 9.1277 124.4786 59.3519 29.4009 177.7512 46 S 4.6756 8.0757 110.8474 57.9351 63.5391 173.8470 47 A 4.4617 8.0859 123.0515 53.0164 18.7569 177.7028 48 V 4.8896 8.9813 113.9723 59.0122 35.8669 175.1759 49 K 4.5534 8.8924 124.7452 56.7181 32.8454 176.3247 50 V 4.3366 9.0745 126.8776 61.3880 34.9195 173.5766 51 D 4.8726 8.7523 127.8588 52.6135 42.1394 175.6510 52 L 4.5090 8.4022 126.5329 54.6184 43.9108 176.9955 *53 N 4.6998 8.6710 117.5449 52.8149 37.3635 174.0325 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 M 8.30 4.27 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 2.27 0.00 2 Y 7.84 4.82 0.00 2.95 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.41 5.28 0.00 1.73 1.65 1.05 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 4 T 9.42 4.31 4.29 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 1.29 0.00 0.00 5 L 8.97 3.34 0.00 1.89 1.78 1.12 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 6 Q 8.06 4.00 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.68 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 7 E 7.91 4.02 0.00 2.27 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 2.37 2.35 0.00 8 W 8.50 4.18 0.00 3.18 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 9 N 8.80 4.24 0.00 3.08 2.94 0.00 0.00 7.15 7.95 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 10 A 7.95 4.06 1.35 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 0.00 0.00 0.00 11 R 7.22 4.27 0.00 1.61 1.84 0.00 3.30 0.00 0.00 3.18 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 12 Q 7.12 3.96 0.00 1.93 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.89 0.00 0.00 0.00 0.00 0.00 1.40 1.83 0.00 13 R 8.59 3.91 0.00 1.77 1.99 0.00 3.14 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 14 R 7.56 4.47 0.00 1.82 1.93 0.00 3.24 0.00 0.00 3.27 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 15 P 0.00 4.53 0.00 2.02 2.06 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 16 R 8.32 4.70 0.00 1.51 1.68 0.00 3.38 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.82 0.00 17 S 8.13 4.28 0.00 3.99 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 18 L 8.30 3.93 0.00 1.68 1.75 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.10 3.86 0.00 2.03 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 2.35 2.42 0.00 20 T 7.32 3.56 3.98 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 0.29 0.00 0.00 21 V 7.12 3.07 2.03 0.00 0.00 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 0.89 0.00 0.00 22 R 8.07 3.93 0.00 2.08 2.02 0.00 3.22 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.84 0.00 23 R 8.30 3.98 0.00 1.90 2.05 0.00 3.08 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 24 W 7.97 4.45 0.00 3.63 3.07 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 0.00 0.00 0.00 25 V 7.70 3.37 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.66 0.00 0.00 26 R 8.22 3.98 0.00 1.99 2.03 0.00 3.23 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.86 0.00 27 E 7.87 4.47 0.00 2.10 2.01 0.00 0.00 0.00 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 2.44 0.00 28 S 7.89 3.73 0.00 4.03 3.96 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.41 4.88 0.00 1.87 1.70 0.00 3.10 0.00 0.00 3.42 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.40 0.00 30 I 7.57 4.91 1.57 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 1.23 1.30 0.59 0.00 0.00 31 F 8.97 4.90 0.00 3.03 2.81 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 32 P 0.00 3.51 0.00 1.71 1.40 0.00 3.64 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.52 0.00 33 P 0.00 4.31 0.00 2.02 1.93 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.81 0.00 34 P 0.00 4.39 0.00 1.60 0.66 0.00 3.28 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.68 0.00 35 V 7.96 4.38 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 0.48 0.00 0.00 0.77 0.00 0.00 36 K 8.57 4.42 0.00 1.65 1.66 0.00 0.73 0.00 0.00 1.32 0.00 0.00 2.82 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.22 1.12 7.81 37 D 9.01 4.57 0.00 2.55 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.31 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 0.00 0.00 0.00 39 R 9.20 4.46 0.00 1.83 1.95 0.00 2.95 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 40 E 7.77 4.66 0.00 2.10 2.00 0.00 0.00 0.00 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 2.26 0.00 41 Y 8.35 4.86 0.00 3.09 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.03 5.07 0.00 1.08 1.32 0.72 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 43 F 10.29 4.92 0.00 2.81 2.81 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 44 H 8.88 4.58 0.00 3.26 3.26 0.00 5.64 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 9.13 4.11 0.00 2.02 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 0.00 2.36 2.44 0.00 46 S 8.08 4.68 0.00 3.97 3.95 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 A 8.09 4.46 1.48 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 0.00 0.00 48 V 8.98 4.89 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.09 0.00 0.00 49 K 8.89 4.55 0.00 1.64 1.47 0.00 1.22 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.92 0.21 7.81 50 V 9.07 4.34 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 0.83 0.00 0.00 0.94 0.00 0.00 51 D 8.75 4.87 0.00 2.63 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.40 4.51 0.00 1.58 1.53 0.85 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 *53 N 8.67 4.70 0.00 2.93 2.74 0.00 0.00 6.58 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.