NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 66 N 4.6809 8.4249 119.2047 53.4333 39.5147 173.1972 67 L 4.5878 8.0581 124.3229 51.0532 46.2325 174.8025 68 S 4.2253 9.6308 116.3755 58.3106 64.9976 174.2985 69 A 4.0441 8.6900 129.6046 55.5082 17.8750 179.7888 70 C 4.2193 7.7974 111.5469 61.4897 30.1895 175.1130 71 E 3.9602 8.5608 120.7706 58.9310 28.8995 179.5393 72 V 3.4605 7.9564 117.2063 66.0292 31.6126 178.1699 73 A 3.9846 7.9566 120.6949 55.2687 18.1688 179.7955 74 V 3.6525 8.1316 116.4770 66.1057 31.8133 177.9874 75 L 4.1265 8.1975 118.2238 58.4792 41.3841 179.2546 76 D 4.4700 8.5175 118.5430 56.8283 40.7682 178.4905 77 L 3.9306 7.6032 118.7777 58.3260 41.5361 179.3070 78 Y 3.9319 8.0720 116.3127 60.8085 37.7415 178.1142 79 E 3.9548 8.2924 120.3347 59.5669 29.6055 178.6923 80 Q 4.0239 8.3932 116.9803 58.9434 28.8247 178.5224 81 S 4.4693 7.7921 113.1049 57.1133 64.3955 173.7758 82 N 4.1566 7.9621 118.6057 54.6577 36.0512 174.4697 83 I 4.5239 7.7031 116.5006 59.2876 40.1044 176.5361 84 R 4.1204 8.5604 125.1037 55.8287 30.6830 176.0339 85 I 4.0571 8.0365 123.6147 59.1962 38.2334 174.1038 86 P 4.1947 0.0000 0.0000 62.8791 31.8615 177.5863 87 S 4.1260 8.3802 116.1226 61.1642 63.1100 176.2856 88 D 4.4051 7.9555 122.5594 57.4620 40.4403 178.6040 89 I 3.7909 7.4393 120.2037 64.4184 37.1252 178.3312 90 I 3.6765 7.6848 120.0929 64.7327 36.8392 177.2171 91 E 3.8402 8.5304 119.9077 60.1137 29.0892 178.6063 92 D 4.4184 8.2695 118.3314 57.2926 41.1231 178.2982 93 L 4.0188 8.1221 119.9429 58.3951 42.2177 179.0605 94 V 3.7757 7.7286 112.0006 64.2609 32.0542 178.6724 95 N 4.9091 7.6055 115.7618 52.4799 36.9545 175.9625 96 Q 4.2326 9.3718 113.5351 56.8562 34.5820 176.0417 97 R 3.5026 7.6821 117.1494 57.0903 27.3115 176.2295 98 L 4.1510 7.3806 119.8332 55.1848 42.8104 177.7059 99 Q 4.3235 8.6777 119.8530 57.1609 30.0992 177.0690 100 S 4.6920 8.1445 112.5769 57.0136 66.1143 175.1763 101 E 3.9707 8.5965 121.6135 59.4576 29.2053 179.1137 102 Q 3.9340 8.1068 119.4025 59.4733 29.0369 179.1169 103 E 3.9643 7.9500 119.1495 59.3742 29.5343 179.1476 104 V 3.6617 7.5195 118.2137 66.2155 31.4307 177.5401 105 L 4.1104 8.1346 119.6410 58.6061 42.0540 178.7486 106 N 4.3786 8.4761 116.3015 56.3917 38.5354 176.8845 107 Y 4.0552 8.2933 121.0245 60.7844 39.0028 177.8195 108 I 3.5953 8.3192 121.1660 64.6147 37.0944 178.3396 109 E 4.1113 8.6382 119.4852 59.6038 29.1685 179.6392 110 T 3.8883 7.7269 115.6512 66.6914 68.4748 176.8078 111 Q 3.9519 7.6371 119.5394 58.7468 28.5989 178.6232 112 R 4.0680 8.0050 119.2724 59.8931 30.1218 179.2376 113 T 3.9242 7.7096 115.3669 66.4735 68.3137 176.0818 114 Y 3.7876 8.1050 121.6745 60.5481 38.9497 178.1627 115 W 4.5124 8.4837 118.7299 58.3427 29.2311 178.5212 116 K 3.9979 8.3265 119.8963 59.3883 31.8456 178.4336 117 L 4.0845 7.8378 119.0937 57.5236 41.7519 178.5904 118 E 3.6814 7.9628 119.5729 59.5875 29.2923 178.5320 119 N 4.6441 7.9573 113.2092 55.0128 38.8029 176.2027 120 Q 4.2606 7.6808 119.8073 55.6574 29.6852 175.6519 121 K 4.0752 7.5276 119.9692 56.7086 32.6340 176.1712 122 K 4.3574 8.4025 124.9350 54.8431 33.2652 175.7827 123 L 4.1455 8.3107 128.1320 54.7800 42.7810 175.4050 124 Y 4.2051 8.4917 126.6864 56.7349 38.6610 175.2377 125 R 4.1141 7.8442 127.9514 55.1433 29.6880 176.6373 126 G 3.9379 8.3147 111.6013 45.7106 0.0000 173.2713 127 S 4.2857 7.4307 113.1035 59.2372 65.8698 177.1032 128 L 3.2062 7.4413 121.3148 57.8235 43.8704 175.7719 *129 K 4.1330 7.7943 123.4507 54.7453 32.3453 177.0703 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 4.68 0.00 2.70 2.82 0.00 0.00 6.78 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 8.06 4.59 0.00 1.70 1.75 0.93 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 9.63 4.23 0.00 3.83 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 69 A 8.69 4.04 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 7.80 4.22 0.00 3.16 3.08 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 0.00 0.00 0.00 71 E 8.56 3.96 0.00 2.30 1.99 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 0.00 2.42 2.39 0.00 72 V 7.96 3.46 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.96 0.00 0.00 73 A 7.96 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 8.13 3.65 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 1.24 0.00 0.00 1.03 0.00 0.00 75 L 8.20 4.13 0.00 1.77 1.79 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 76 D 8.52 4.47 0.00 2.74 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 3.93 0.00 1.85 1.51 0.85 0.68 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 78 Y 8.07 3.93 0.00 3.17 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 79 E 8.29 3.95 0.00 2.10 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 2.33 2.38 0.00 80 Q 8.39 4.02 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 81 S 7.79 4.47 0.00 3.81 3.88 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 0.00 0.00 0.00 82 N 7.96 4.16 0.00 2.85 2.85 0.00 0.00 6.69 6.97 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 83 I 7.70 4.52 2.13 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.84 1.05 0.00 0.00 84 R 8.56 4.12 0.00 1.77 1.82 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 1.62 1.64 0.00 85 I 8.04 4.06 1.74 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.43 0.75 0.00 0.00 86 P 0.00 4.19 0.00 1.79 1.52 0.00 3.46 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.84 0.00 87 S 8.38 4.13 0.00 3.99 4.06 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 0.00 0.00 0.00 88 D 7.96 4.41 0.00 2.79 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 89 I 7.44 3.79 1.95 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.67 0.89 0.00 0.00 90 I 7.68 3.68 2.00 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 1.48 0.81 0.91 0.00 0.00 91 E 8.53 3.84 0.00 2.12 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 2.34 2.44 0.00 92 D 8.27 4.42 0.00 3.00 2.93 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 0.00 0.00 0.00 0.00 93 L 8.12 4.02 0.00 1.89 1.97 1.05 1.32 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 94 V 7.73 3.78 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 0.87 0.00 0.00 1.03 0.00 0.00 95 N 7.61 4.91 0.00 2.63 2.80 0.00 0.00 6.91 7.55 0.00 0.00 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 9.37 4.23 0.00 1.60 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.67 0.00 0.00 0.00 0.00 0.00 2.21 1.81 0.00 97 R 7.68 3.50 0.00 1.84 2.14 0.00 3.35 0.00 0.00 3.20 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 98 L 7.38 4.15 0.00 1.60 1.57 0.87 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 8.68 4.32 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.91 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 100 S 8.14 4.69 0.00 4.06 3.99 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 0.00 0.00 0.00 0.00 101 E 8.60 3.97 0.00 2.05 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 2.55 2.38 0.00 102 Q 8.11 3.93 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.59 0.00 103 E 7.95 3.96 0.00 2.18 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 7.52 3.66 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 1.10 0.00 0.00 0.98 0.00 0.00 105 L 8.13 4.11 0.00 1.92 1.89 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 106 N 8.48 4.38 0.00 3.05 2.92 0.00 0.00 6.72 7.34 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 0.00 107 Y 8.29 4.06 0.00 3.20 3.25 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 0.00 108 I 8.32 3.60 2.18 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.75 0.62 0.00 0.00 109 E 8.64 4.11 0.00 2.21 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 2.63 2.58 0.00 110 T 7.73 3.89 4.13 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 1.19 0.00 0.00 111 Q 7.64 3.95 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 1.70 2.30 0.00 112 R 8.00 4.07 0.00 2.07 2.05 0.00 3.11 0.00 0.00 2.95 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 113 T 7.71 3.92 4.43 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 1.21 0.00 0.00 114 Y 8.11 3.79 0.00 2.90 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 0.00 115 W 8.48 4.51 0.00 3.54 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 0.00 116 K 8.33 4.00 0.00 1.83 2.06 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.52 7.81 117 L 7.84 4.08 0.00 1.89 1.46 0.93 0.79 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 7.96 3.68 0.00 1.50 1.94 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 1.96 2.43 0.00 119 N 7.96 4.64 0.00 3.05 2.92 0.00 0.00 7.03 6.99 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 0.00 120 Q 7.68 4.26 0.00 2.33 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 121 K 7.53 4.08 0.00 1.95 1.73 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.43 1.31 7.81 122 K 8.40 4.36 0.00 1.72 1.73 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.42 7.81 123 L 8.31 4.15 0.00 1.65 1.55 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 124 Y 8.49 4.21 0.00 2.98 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 0.00 125 R 7.84 4.11 0.00 1.60 1.72 0.00 3.17 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 126 G 8.31 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 0.00 127 S 7.43 4.29 0.00 3.79 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 0.00 128 L 7.44 3.21 0.00 1.58 1.89 0.88 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 *129 K 7.79 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.16 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.