NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 66 N 4.6395 8.4249 119.2050 53.4105 38.8307 172.9697 67 L 4.6125 7.8584 123.9981 50.8757 45.2600 175.4632 68 S 4.2172 8.9641 115.9750 58.4272 64.8744 174.4771 69 A 4.0131 8.5270 130.0700 55.4648 18.3658 179.9637 70 C 4.1103 8.0727 112.5204 61.2940 29.7082 175.8353 71 E 3.9122 8.1401 121.1609 59.3686 29.2063 179.0951 72 V 3.5820 8.2194 118.3509 66.1198 31.3393 177.6014 73 A 3.9804 8.1980 120.5693 55.4044 18.3262 179.9067 74 V 3.5087 7.7863 116.2785 66.1898 31.7219 177.8737 75 L 4.2248 7.9031 118.6047 58.3180 41.4333 179.4397 76 D 4.3629 8.2275 118.2237 57.4582 40.6926 178.4271 77 L 3.7886 7.6008 120.7805 58.8027 42.1275 178.8126 78 Y 4.0695 7.8455 115.8777 60.5292 37.7892 177.6976 79 E 3.9448 8.3219 120.4371 59.6086 29.6437 178.6929 80 Q 4.0953 8.0004 116.6368 59.0088 28.7399 178.2558 81 S 4.5515 7.7216 114.0162 57.8909 64.4749 174.2774 82 N 4.1461 8.3021 117.1299 54.8310 36.3464 175.0468 83 I 4.4849 7.6369 117.1561 59.4116 39.8604 176.3964 84 R 4.1420 8.5424 125.0634 55.5842 30.7347 175.9374 85 I 4.0541 8.0211 123.8825 59.0128 38.1085 174.1091 86 P 4.2313 0.0000 0.0000 62.8776 31.8854 177.2475 87 S 4.3206 8.2430 114.3208 60.1418 63.4041 176.0949 88 D 4.3873 7.7096 122.8251 57.1533 40.5286 178.4562 89 I 3.7659 7.4013 120.7474 64.3936 37.1981 177.9861 90 I 3.6655 7.7992 120.2467 65.0242 36.4018 177.0592 91 E 3.8331 8.2328 119.0897 60.2929 29.1223 178.7279 92 D 4.5192 8.3718 119.1153 57.0537 41.0276 178.6371 93 L 4.1153 8.2131 120.9416 58.2764 42.2392 179.0173 94 V 3.7660 7.5296 111.0767 64.0298 32.3089 177.0872 95 N 4.7442 7.6449 115.4364 52.3462 37.4634 175.8115 96 Q 4.1950 8.0559 111.8490 57.9993 34.7502 176.5314 97 R 3.4395 7.3958 117.6166 56.9401 26.8057 176.1229 98 L 4.0782 7.3845 120.6974 55.5159 42.9017 178.1310 99 Q 4.1885 8.7730 120.7429 58.3416 29.1176 177.4284 100 S 4.6062 8.2035 112.6479 57.0747 65.7308 175.0559 101 E 3.9545 8.5637 121.1754 59.5906 29.1817 179.0622 102 Q 3.9422 8.1898 119.2080 59.6133 28.9676 179.0446 103 E 3.9811 7.8511 117.9139 59.6959 29.4672 178.7554 104 V 3.5985 7.5067 117.1714 66.4915 31.3984 177.4003 105 L 4.0701 8.6005 119.6362 58.7471 42.0393 179.2849 106 N 4.4135 8.4612 116.2747 56.2363 38.5828 176.9016 107 Y 4.0591 8.5644 121.3791 60.8067 39.0473 177.6580 108 I 3.5956 8.1930 121.0879 64.6504 37.3659 178.1027 109 E 4.0632 8.4523 119.1644 59.8834 29.3800 179.5397 110 T 3.8796 7.7346 115.1044 66.8143 68.5803 176.6285 111 Q 3.9769 7.7289 119.3398 58.5016 28.7219 178.3714 112 R 4.0137 8.0133 119.3799 60.1053 30.2041 179.0772 113 T 3.8989 7.8010 114.4956 66.5598 68.3195 176.2373 114 Y 3.7867 7.9206 121.4857 60.2859 38.8394 177.8061 115 W 4.4608 8.3038 118.8898 58.2719 29.6408 178.5710 116 K 3.9289 8.4254 120.4333 59.5662 31.4362 178.7520 117 L 3.9056 7.8247 119.0327 57.8718 41.3495 179.2211 118 E 3.7123 7.8010 117.8714 59.1132 29.5303 178.1598 119 N 4.6192 8.0759 115.8497 55.7853 38.7966 176.7583 120 Q 4.0405 7.8397 120.1928 58.0052 29.4777 177.1435 121 K 3.8084 6.9870 117.8990 56.7688 32.7555 175.8254 122 K 4.3815 8.3033 122.9759 54.9109 33.4149 175.7027 123 L 4.2557 8.2496 127.5884 54.3713 42.8200 175.4412 124 Y 4.0711 8.6268 127.4354 57.2641 39.2054 174.5479 125 R 4.2563 7.4924 126.6803 54.4470 31.0030 176.2611 126 G 3.9207 8.4700 111.9546 46.5031 0.0000 173.5438 127 S 4.3733 7.7711 113.3891 58.5159 66.2685 177.0746 128 L 3.1052 8.1946 120.1651 56.7227 42.5458 174.6272 *129 K 4.1330 8.6748 119.9185 54.8220 32.3453 178.0416 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 66 N 8.42 4.64 0.00 2.70 2.84 0.00 0.00 6.83 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.86 4.61 0.00 1.72 1.71 0.94 0.64 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 68 S 8.96 4.22 0.00 3.90 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.53 4.01 1.33 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 0.00 0.00 70 C 8.07 4.11 0.00 3.17 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 71 E 8.14 3.91 0.00 2.20 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 2.36 2.34 0.00 72 V 8.22 3.58 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 1.02 0.00 0.00 0.98 0.00 0.00 73 A 8.20 3.98 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.79 3.51 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.00 0.00 0.00 75 L 7.90 4.22 0.00 1.83 1.80 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 76 D 8.23 4.36 0.00 2.92 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.60 3.79 0.00 1.67 1.42 0.80 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 7.85 4.07 0.00 3.34 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 79 E 8.32 3.94 0.00 2.09 2.11 0.00 0.00 0.00 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 2.38 0.00 80 Q 8.00 4.10 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.29 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 81 S 7.72 4.55 0.00 3.84 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 N 8.30 4.15 0.00 2.75 2.83 0.00 0.00 6.64 7.82 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 83 I 7.64 4.48 2.22 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.95 0.93 0.00 0.00 84 R 8.54 4.14 0.00 1.76 1.81 0.00 3.18 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 85 I 8.02 4.05 1.75 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.50 0.77 0.00 0.00 86 P 0.00 4.23 0.00 1.73 1.60 0.00 3.44 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 1.85 1.86 0.00 87 S 8.24 4.32 0.00 3.99 4.04 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 88 D 7.71 4.39 0.00 2.73 2.86 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 89 I 7.40 3.77 1.92 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.53 0.89 0.00 0.00 90 I 7.80 3.67 2.04 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.06 0.91 0.00 0.00 91 E 8.23 3.83 0.00 2.10 2.04 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 2.33 2.44 0.00 92 D 8.37 4.52 0.00 2.97 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 93 L 8.21 4.12 0.00 1.80 1.94 1.01 1.03 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 94 V 7.53 3.77 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 1.00 0.00 0.00 95 N 7.64 4.74 0.00 2.73 2.79 0.00 0.00 6.86 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 Q 8.06 4.19 0.00 1.74 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.88 0.00 0.00 0.00 0.00 0.00 2.13 1.74 0.00 97 R 7.40 3.44 0.00 1.84 2.26 0.00 3.37 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 98 L 7.38 4.08 0.00 1.61 1.60 0.92 0.85 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 99 Q 8.77 4.19 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.97 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 100 S 8.20 4.61 0.00 4.05 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 E 8.56 3.95 0.00 2.04 2.05 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 2.41 2.38 0.00 102 Q 8.19 3.94 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.93 0.00 0.00 0.00 0.00 0.00 2.45 2.58 0.00 103 E 7.85 3.98 0.00 2.15 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 2.35 2.33 0.00 104 V 7.51 3.60 2.32 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 1.19 0.00 0.00 1.03 0.00 0.00 105 L 8.60 4.07 0.00 1.77 1.89 0.87 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 106 N 8.46 4.41 0.00 3.08 2.92 0.00 0.00 6.65 7.21 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 0.00 107 Y 8.56 4.06 0.00 3.12 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 I 8.19 3.60 2.06 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 1.54 0.86 0.71 0.00 0.00 109 E 8.45 4.06 0.00 2.26 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 2.64 2.59 0.00 110 T 7.73 3.88 4.17 0.00 0.00 0.00 0.00 0.00 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 0.00 111 Q 7.73 3.98 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.66 0.00 0.00 0.00 0.00 0.00 1.67 2.29 0.00 112 R 8.01 4.01 0.00 2.12 2.06 0.00 3.06 0.00 0.00 2.86 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.83 0.00 113 T 7.80 3.90 4.42 0.00 0.00 0.00 0.00 0.00 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 0.00 114 Y 7.92 3.79 0.00 2.93 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 0.00 115 W 8.30 4.46 0.00 3.55 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 0.00 116 K 8.43 3.93 0.00 1.85 2.05 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.51 7.81 117 L 7.82 3.91 0.00 1.87 1.49 0.88 0.81 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 0.00 118 E 7.80 3.71 0.00 1.29 1.84 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 2.01 2.38 0.00 119 N 8.08 4.62 0.00 3.03 2.92 0.00 0.00 6.96 7.81 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 0.00 120 Q 7.84 4.04 0.00 2.29 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 121 K 6.99 3.81 0.00 1.89 1.75 0.00 1.79 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.44 1.34 7.81 122 K 8.30 4.38 0.00 1.70 1.70 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.49 7.81 123 L 8.25 4.26 0.00 1.64 1.55 0.96 0.89 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 0.00 124 Y 8.63 4.07 0.00 3.03 2.97 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 0.00 125 R 7.49 4.26 0.00 1.59 1.70 0.00 3.15 0.00 0.00 3.13 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.56 0.00 126 G 8.47 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 0.00 0.00 0.00 127 S 7.77 4.37 0.00 3.80 3.85 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 0.00 0.00 0.00 128 L 8.19 3.11 0.00 1.60 1.41 0.87 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 *129 K 8.67 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.