NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3250 8.2649 123.5821 51.6657 20.7662 177.2699 3 S 4.0992 7.9321 112.4441 56.7884 63.3005 171.7161 4 K 4.3664 8.2671 121.7770 56.1980 35.5968 173.9151 5 K 4.4974 8.5659 121.0037 54.4747 33.4946 175.4945 6 V 4.4730 8.2657 125.4605 60.0001 33.6383 174.5923 7 H 4.8987 8.6830 120.9349 54.5395 32.1627 172.2240 8 Q 4.5470 8.6103 126.6978 54.1951 32.0915 173.7767 9 I 4.5624 8.2809 124.3539 59.4544 39.7595 174.6335 10 N 4.9538 8.5908 121.6855 51.3151 41.0158 174.3081 11 V 4.1206 8.1280 121.4027 60.9694 34.1692 173.9960 12 K 4.4509 8.9206 128.0222 53.8927 34.3798 175.3261 13 G 4.0714 7.9028 111.2582 46.4655 0.0000 170.7711 14 F 4.4995 8.6923 123.6497 57.7933 40.3147 174.8059 15 F 5.2265 8.1960 129.3312 57.3989 40.0149 173.9849 16 D 4.3946 8.3850 124.9724 52.5963 44.1646 175.2077 *18 D 4.5789 8.6867 119.9351 54.0797 41.9875 176.7272 19 V 3.8395 7.2109 116.5001 64.3177 32.7000 174.8913 *21 E 4.5425 7.5347 117.7575 56.2630 31.7834 174.2067 22 V 4.9883 8.8190 122.6185 61.4735 34.6635 174.2619 23 T 5.4940 9.2678 121.7675 59.3161 70.1846 172.0321 24 E 4.9045 9.1040 126.8981 55.0391 32.4885 175.0796 25 Q 4.5957 8.6589 124.1749 55.1629 28.5257 175.1697 26 T 4.3590 8.5205 123.6198 62.3609 69.6684 175.5370 27 K 4.3294 8.5334 121.0184 57.5767 31.5107 175.9707 28 E 4.4459 7.4316 112.8213 56.6273 32.9009 177.5221 29 A 4.6388 7.4556 121.3814 50.3254 22.0433 174.4425 30 E 4.5164 7.7665 116.7298 54.6602 30.7164 175.2820 31 Y 4.2626 8.2853 123.5857 57.5782 39.6942 174.6382 32 T 4.9051 8.0695 118.4065 62.0536 71.8204 172.8212 33 Y 4.9693 9.3505 124.4272 56.1088 41.8220 174.6245 34 D 5.1309 8.6949 122.5207 51.9477 40.7085 176.8514 35 F 4.5582 9.3614 126.6900 61.0128 39.2966 176.6653 36 K 3.8718 8.2101 118.9810 59.4331 31.8953 178.0434 37 E 3.9126 8.3053 118.0684 59.3547 29.9581 178.4007 38 I 3.8586 7.6227 119.3041 64.5919 37.2589 178.0250 39 L 3.9123 8.2124 121.4454 58.2673 41.7907 179.2090 40 S 4.1825 8.2750 114.0597 61.0911 62.6856 175.8269 41 E 3.9106 7.9416 121.7507 57.9046 29.2912 176.9019 42 F 4.7309 7.8121 115.8300 57.1029 40.4523 174.7344 43 N 4.2626 7.8007 120.5974 55.6535 38.7552 174.4151 44 G 4.2053 9.6545 114.1542 44.9950 0.0000 172.7234 45 K 4.6362 7.4821 115.7737 54.1292 35.5373 175.8590 46 N 4.1648 8.9051 117.8155 54.4284 38.6960 174.6084 47 V 4.5226 8.1025 114.7230 59.5961 35.8894 174.7393 48 S 4.6362 8.3428 116.2246 56.7978 65.1353 173.8692 49 I 4.3800 8.2706 125.7301 59.5687 39.1458 175.0326 50 T 4.4910 8.3553 121.1618 61.5280 71.0911 173.4358 51 V 4.2051 8.3416 125.3326 60.7600 33.6379 174.2975 52 K 4.5648 8.4170 127.5346 54.4435 34.8616 174.8660 53 E 4.4977 8.5520 124.6891 54.5161 31.8693 174.0544 54 E 4.6821 8.7959 124.1539 54.4787 31.8670 174.8246 55 N 5.1520 8.4488 119.3994 51.4495 42.0360 173.3669 56 E 4.4962 8.3975 117.6175 55.6024 31.0009 175.8121 57 L 4.3752 8.1291 121.0002 52.7794 42.6904 175.2213 58 P 4.1952 0.0000 0.0000 63.1911 31.3013 176.8758 59 V 4.1170 8.1322 117.3891 60.4298 32.9715 175.7967 60 K 4.5807 8.1873 115.3163 56.7935 34.3907 177.1593 61 G 4.0308 7.4877 105.1280 45.4103 0.0000 172.7762 62 V 3.9740 7.9306 125.2170 62.6242 32.8148 175.9537 63 E 4.4061 8.4005 123.5139 57.2144 30.2596 175.5439 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 A 8.26 4.32 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 3 S 7.93 4.10 0.00 3.95 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 4 K 8.27 4.37 0.00 1.81 1.74 0.00 1.54 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.49 1.39 7.81 5 K 8.57 4.50 0.00 1.72 1.74 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.40 7.81 6 V 8.27 4.47 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 0.80 0.00 0.00 0.95 0.00 0.00 7 H 8.68 4.90 0.00 3.06 3.31 0.00 5.87 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.61 4.55 0.00 1.97 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.45 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 9 I 8.28 4.56 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.97 0.00 0.00 10 N 8.59 4.95 0.00 2.59 2.64 0.00 0.00 6.73 7.68 0.00 0.00 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 V 8.13 4.12 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 0.67 0.00 0.00 0.97 0.00 0.00 12 K 8.92 4.45 0.00 1.67 1.64 0.00 1.94 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.38 7.81 13 G 7.90 4.07 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 0.00 0.00 0.00 14 F 8.69 4.50 0.00 3.19 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 15 F 8.20 5.23 0.00 2.69 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 16 D 8.38 4.39 0.00 2.69 2.44 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 *18 D 8.69 4.58 0.00 2.81 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 19 V 7.21 3.84 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 0.80 0.00 0.00 1.01 0.00 0.00 *21 E 7.53 4.54 0.00 2.08 2.12 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 2.41 2.50 0.00 22 V 8.82 4.99 2.24 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 0.83 0.00 0.00 0.76 0.00 0.00 23 T 9.27 5.49 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 24 E 9.10 4.90 0.00 2.21 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.57 0.00 25 Q 8.66 4.60 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.06 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 26 T 8.52 4.36 4.48 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 1.35 0.00 0.00 27 K 8.53 4.33 0.00 1.75 1.85 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.48 7.81 28 E 7.43 4.45 0.00 2.03 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 29 A 7.46 4.64 0.70 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 0.00 0.00 30 E 7.77 4.52 0.00 1.83 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 2.12 2.42 0.00 31 Y 8.29 4.26 0.00 2.83 2.39 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 4.91 4.18 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 0.00 0.00 0.00 1.24 0.00 0.00 33 Y 9.35 4.97 0.00 2.93 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 34 D 8.69 5.13 0.00 2.90 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 35 F 9.36 4.56 0.00 3.25 3.35 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 36 K 8.21 3.87 0.00 1.94 1.84 0.00 1.82 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.53 7.81 37 E 8.31 3.91 0.00 2.60 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 2.35 2.42 0.00 38 I 7.62 3.86 2.10 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.06 1.05 0.00 0.00 39 L 8.21 3.91 0.00 1.59 1.49 0.15 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.27 4.18 0.00 4.07 4.18 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 0.00 0.00 0.00 0.00 41 E 7.94 3.91 0.00 1.85 1.67 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 1.81 2.12 0.00 42 F 7.81 4.73 0.00 3.28 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 43 N 7.80 4.26 0.00 2.69 2.75 0.00 0.00 7.39 8.00 0.00 0.00 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 G 9.65 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 0.00 0.00 0.00 0.00 45 K 7.48 4.64 0.00 1.94 1.79 0.00 1.68 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.70 7.81 46 N 8.91 4.16 0.00 2.74 2.85 0.00 0.00 6.74 7.68 0.00 0.00 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 V 8.10 4.52 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.85 0.00 0.00 48 S 8.34 4.64 0.00 3.73 3.69 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 0.00 0.00 0.00 49 I 8.27 4.38 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.49 0.88 0.00 0.00 50 T 8.36 4.49 4.18 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 0.00 0.00 0.00 1.16 0.00 0.00 51 V 8.34 4.21 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 0.62 0.00 0.00 0.83 0.00 0.00 52 K 8.42 4.56 0.00 1.66 1.57 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.35 7.81 53 E 8.55 4.50 0.00 1.86 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 2.17 2.27 0.00 54 E 8.80 4.68 0.00 2.07 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 2.15 2.28 0.00 55 N 8.45 5.15 0.00 2.70 2.79 0.00 0.00 7.04 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 56 E 8.40 4.50 0.00 1.96 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 0.00 2.28 2.27 0.00 57 L 8.13 4.38 0.00 1.63 1.60 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.20 0.00 2.17 2.09 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 59 V 8.13 4.12 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 0.80 0.00 0.00 0.93 0.00 0.00 60 K 8.19 4.58 0.00 1.79 1.83 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.30 1.42 7.81 61 G 7.49 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 V 7.93 3.97 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 0.84 0.00 0.00 0.93 0.00 0.00 63 E 8.40 4.41 0.00 1.94 1.76 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 2.16 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.