NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *4 S 4.3798 8.3349 117.0992 58.0336 64.4794 172.2377 5 L 4.3165 8.7014 126.3391 53.3582 39.4836 173.9848 6 S 4.3214 8.1482 111.5270 60.3728 64.6181 173.2902 7 Y 4.7572 7.5811 121.2860 55.3211 39.9787 174.5139 8 R 4.2847 7.2055 121.3023 54.3192 31.5980 175.1939 9 C 4.3095 8.2018 116.4365 56.0771 40.7089 173.5504 10 P 4.0051 0.0000 0.0000 64.8236 31.2615 176.8029 11 C 4.7183 7.3019 117.3640 55.1974 41.0701 173.9546 12 R 3.9196 8.4529 125.0411 58.9132 29.9752 176.0901 13 F 4.5100 6.9478 109.6663 56.2287 40.3136 172.4681 14 F 5.4005 8.5705 118.8232 55.8798 41.3013 175.1060 15 E 4.7948 9.4607 124.9768 55.3604 30.5685 176.9494 16 S 4.7887 8.8044 115.5242 58.4946 64.2741 173.9296 17 H 4.9033 8.1547 118.3344 55.8040 29.1738 174.3320 18 V 4.3099 7.9590 118.4589 61.0161 33.3406 174.3150 19 A 4.3176 8.2166 129.7015 50.3119 20.7095 177.3638 20 R 2.0000 6.9833 121.2156 58.8882 29.7689 178.4234 21 A 3.9665 7.4604 117.9568 53.9920 18.6204 177.1215 22 N 4.5914 8.0920 113.9509 53.5700 39.8358 174.5277 23 V 4.7095 7.3427 111.6392 60.0184 33.1216 175.5887 24 K 4.3204 9.6269 126.7346 58.6446 33.1661 176.0711 25 H 4.9732 7.9217 117.4078 54.7953 33.4129 172.1958 26 L 5.3019 8.0577 122.5457 52.8953 45.2365 175.8579 27 K 4.5815 8.9967 123.0630 54.9515 36.2006 174.8630 28 I 4.7366 8.3052 127.7738 59.7994 38.1174 175.3300 29 L 4.0783 8.5864 128.7806 54.3967 42.0237 178.0438 30 N 4.7532 8.7064 124.3214 51.8501 37.7443 172.4823 31 T 4.6497 7.5946 110.0768 58.5708 71.3210 174.0779 32 P 4.3411 0.0000 0.0000 63.6825 31.9894 176.0774 33 N 4.3845 8.9312 116.1458 54.2221 36.2288 174.7050 34 C 5.0276 7.6077 113.6313 54.5987 43.2973 173.9929 35 A 4.2605 8.4818 125.8804 51.4353 18.7403 176.9244 36 L 3.9507 8.3892 120.7162 56.1883 42.5144 176.5150 37 Q 4.3341 8.4605 122.8122 54.3691 32.9488 173.6147 38 I 4.7674 8.0241 124.8629 59.4555 39.7986 174.6408 39 V 4.8517 8.9500 126.8707 60.9453 34.2527 174.0186 40 A 5.2284 9.3454 129.0565 50.1428 22.0067 174.6701 41 R 4.8506 8.7858 122.0077 55.1468 32.2036 176.0049 42 L 5.0479 8.5068 126.1078 53.4124 44.7968 174.9251 43 K 4.7773 8.3727 120.7629 56.8606 35.6896 176.5641 44 N 4.9726 9.3854 122.8582 52.8487 36.3599 175.8432 45 N 4.7411 7.9556 112.7834 52.3496 39.8086 177.0134 46 N 4.8272 8.4026 115.4986 55.0164 37.6408 174.8946 47 R 4.4602 7.4913 117.5437 56.1660 32.4683 177.9321 48 Q 5.1810 8.5700 116.1403 56.3176 31.1093 176.2059 49 V 4.5521 8.8923 118.8366 59.6682 36.3664 173.9669 50 C 5.0335 8.6392 121.3984 56.3382 41.3511 172.6060 51 I 4.8463 7.9603 118.3832 59.0274 39.4097 175.1924 52 D 4.2934 8.9935 125.1417 54.3857 41.3201 175.6793 53 P 4.0979 0.0000 0.0000 65.0786 31.5590 177.6794 54 K 4.1157 8.0132 116.1622 57.2455 32.4405 177.9083 55 L 3.8971 7.4511 119.8460 55.1078 42.8181 177.8275 56 K 3.8939 8.8027 124.3998 59.4552 32.2294 178.9310 57 W 4.3531 8.1709 116.4541 59.5196 28.1929 178.3672 58 I 2.9090 6.6245 120.2982 63.6995 36.4898 177.6849 59 Q 3.8356 8.0125 120.4981 59.3909 28.8809 178.1312 60 E 4.0352 8.3523 119.3910 59.6022 29.3079 178.8853 61 Y 3.9228 7.8598 118.3817 60.9155 39.0668 178.1085 62 L 4.1512 8.3661 118.5348 57.5722 41.9590 178.9981 63 E 4.2285 8.6400 119.1263 58.6577 29.1834 178.8416 64 K 4.0647 7.8418 115.8242 56.7945 32.0946 176.9097 *65 A 4.0707 7.6047 126.1394 51.8806 19.8255 177.0129 66 L 3.8681 8.6839 116.4019 54.1670 42.2777 173.3860 67 N 4.5079 8.2087 116.5618 53.9041 39.0945 173.7774 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 *4 S 8.33 4.38 0.00 3.71 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 5 L 8.70 4.32 0.00 1.86 2.05 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.15 4.32 0.00 4.02 4.02 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 0.00 0.00 0.00 7 Y 7.58 4.76 0.00 2.86 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 8 R 7.21 4.28 0.00 1.73 1.68 0.00 3.02 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.51 0.00 9 C 8.20 4.31 0.00 2.93 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 10 P 0.00 4.01 0.00 2.17 2.18 0.00 3.73 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 11 C 7.30 4.72 0.00 3.29 3.22 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 12 R 8.45 3.92 0.00 1.63 2.15 0.00 3.32 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 13 F 6.95 4.51 0.00 2.98 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 F 8.57 5.40 0.00 3.09 2.87 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 0.00 0.00 0.00 15 E 9.46 4.79 0.00 2.09 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 2.58 2.43 0.00 16 S 8.80 4.79 0.00 3.95 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 H 8.15 4.90 0.00 3.20 3.38 0.00 5.66 0.00 0.00 0.00 0.00 8.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.96 4.31 2.28 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 0.91 0.00 0.00 1.03 0.00 0.00 19 A 8.22 4.32 1.10 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 0.00 0.00 0.00 0.00 0.00 20 R 6.98 2.00 0.00 0.67 1.08 0.00 2.98 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.19 0.00 21 A 7.46 3.97 1.16 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 22 N 8.09 4.59 0.00 2.77 2.78 0.00 0.00 6.95 8.08 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 23 V 7.34 4.71 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.06 0.00 0.00 24 K 9.63 4.32 0.00 1.59 1.91 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.38 7.81 25 H 7.92 4.97 0.00 3.20 3.07 0.00 5.66 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 26 L 8.06 5.30 0.00 1.43 1.41 0.65 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 27 K 9.00 4.58 0.00 1.85 1.60 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.44 7.81 28 I 8.31 4.74 1.86 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 1.28 0.67 0.89 0.00 0.00 29 L 8.59 4.08 0.00 1.68 1.63 0.93 0.87 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 30 N 8.71 4.75 0.00 2.65 2.74 0.00 0.00 7.09 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 31 T 7.59 4.65 4.52 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 1.32 0.00 0.00 32 P 0.00 4.34 0.00 2.09 1.97 0.00 3.70 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 1.92 2.05 0.00 33 N 8.93 4.38 0.00 3.04 2.98 0.00 0.00 6.75 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 34 C 7.61 5.03 0.00 3.29 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 35 A 8.48 4.26 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 36 L 8.39 3.95 0.00 1.61 1.60 0.78 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 8.46 4.33 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.66 0.00 0.00 0.00 0.00 0.00 2.57 2.68 0.00 38 I 8.02 4.77 1.64 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.71 0.82 0.00 0.00 39 V 8.95 4.85 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 1.03 0.00 0.00 0.92 0.00 0.00 40 A 9.35 5.23 1.23 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 0.00 0.00 0.00 41 R 8.79 4.85 0.00 1.94 1.83 0.00 3.07 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 42 L 8.51 5.05 0.00 1.82 1.59 0.94 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.37 4.78 0.00 1.80 1.65 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.49 7.81 44 N 9.39 4.97 0.00 2.93 2.92 0.00 0.00 6.39 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 45 N 7.96 4.74 0.00 2.70 2.71 0.00 0.00 6.67 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 46 N 8.40 4.83 0.00 2.86 2.99 0.00 0.00 7.24 7.65 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 47 R 7.49 4.46 0.00 1.55 1.84 0.00 3.25 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.19 0.00 48 Q 8.57 5.18 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.72 0.00 0.00 0.00 0.00 0.00 2.23 2.41 0.00 49 V 8.89 4.55 2.09 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 0.87 0.00 0.00 1.01 0.00 0.00 50 C 8.64 5.03 0.00 3.08 3.18 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 51 I 7.96 4.85 1.75 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.61 0.98 0.00 0.00 52 D 8.99 4.29 0.00 2.91 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 53 P 0.00 4.10 0.00 1.94 1.90 0.00 3.52 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 54 K 8.01 4.12 0.00 1.91 1.85 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.41 7.81 55 L 7.45 3.90 0.00 1.40 1.33 0.96 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.80 3.89 0.00 1.90 1.89 0.00 1.60 0.00 0.00 1.87 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.91 7.81 57 W 8.17 4.35 0.00 3.66 3.34 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 0.00 58 I 6.62 2.91 1.43 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.09 0.64 0.00 0.00 59 Q 8.01 3.84 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 60 E 8.35 4.04 0.00 2.21 2.09 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 2.39 2.41 0.00 61 Y 7.86 3.92 0.00 3.30 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.37 4.15 0.00 1.80 1.70 0.83 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.64 4.23 0.00 2.07 1.98 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 2.31 2.41 0.00 64 K 7.84 4.06 0.00 1.77 1.71 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.58 7.81 *65 A 7.60 4.07 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.68 3.87 0.00 1.66 1.99 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 67 N 8.21 4.51 0.00 2.65 2.58 0.00 0.00 6.73 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.