NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *9 E 4.3470 8.4449 116.7535 55.7752 31.6299 174.8901 10 E 4.3216 8.4162 118.9049 55.9276 30.3095 172.7977 11 E 4.4147 7.8344 119.2658 55.5772 32.2668 173.2614 12 E 4.6060 8.3008 123.2435 54.2257 33.1668 174.1678 13 L 4.5135 8.3586 123.6841 53.2828 42.7314 175.5622 14 V 4.2980 8.1011 125.5451 60.8227 34.0551 174.3511 15 D 4.5860 8.5387 126.5374 52.6021 41.0506 174.8262 16 P 4.2383 0.0000 0.0000 66.0160 30.7410 177.3632 17 L 3.9579 8.6097 121.2498 58.3199 42.0065 178.5809 18 T 3.8891 7.9135 109.7217 65.3514 68.4266 176.4085 19 T 4.0041 7.7994 117.6666 66.7557 68.8557 176.6192 20 I 3.9670 7.9017 120.9074 63.6233 37.0491 178.7949 21 R 3.9858 8.0984 119.8460 59.0275 29.7255 178.5611 22 E 3.9501 7.9342 117.2549 59.8702 30.0193 178.4048 23 H 4.2683 8.2229 118.1157 59.8082 29.9107 176.5179 24 C 4.3959 8.2134 117.6220 59.6729 39.8947 175.6377 25 E 4.0429 8.1653 119.0891 58.3215 29.0149 177.2448 26 Q 4.6050 7.4072 116.4230 56.3391 29.4758 175.8079 27 T 4.6036 7.4354 114.5141 62.1136 71.6717 174.3958 28 E 3.7270 8.5590 124.7285 59.7419 30.2494 179.6875 29 K 4.0246 7.9733 118.5239 59.7555 32.7678 179.0072 30 C 4.2393 8.0072 117.8634 62.7735 28.2787 175.5287 31 V 3.8974 8.1449 120.1719 66.3172 30.9544 177.9478 32 K 3.9276 8.3494 117.8943 59.6173 31.9624 179.1479 33 A 4.0674 7.9557 120.3125 55.0353 18.5319 179.4850 34 R 3.3463 8.9986 118.4910 59.4172 30.0490 178.1426 35 E 3.8160 8.6580 119.3153 59.5058 29.8733 178.9725 36 R 3.9534 7.8282 117.9367 59.0107 30.0872 179.0336 37 L 3.8957 7.6719 120.0898 58.1073 42.1847 178.4832 38 E 3.8960 7.9801 118.5394 59.4704 29.3309 179.3968 39 L 3.9066 7.7478 118.5446 57.9529 41.6775 178.5154 40 C 4.1223 7.9324 117.7654 59.8312 42.6028 174.6898 41 D 4.2813 8.5270 119.4438 57.5547 40.8253 178.0883 42 A 3.9875 8.4108 121.3768 55.4782 18.2167 179.7438 43 R 4.0351 8.1277 112.2618 58.4607 29.7501 178.3378 44 V 3.8502 7.8555 119.4576 65.4422 31.4408 177.9248 45 S 4.3203 8.2809 114.9568 60.8959 62.8472 175.8246 46 S 4.4015 7.8359 114.3235 58.4663 63.3262 174.0121 47 R 4.7005 6.8636 119.9150 54.9726 32.3821 175.8851 48 S 4.7573 8.4750 113.3970 58.7995 64.0295 174.7200 49 H 4.8952 7.9568 118.4480 56.3207 30.4029 172.3884 50 T 4.4411 7.8115 111.4501 60.1927 68.4314 174.4926 51 E 4.0973 8.5922 126.8979 58.5074 30.0723 177.0510 52 E 3.9876 7.9916 118.1718 56.8101 30.0561 175.6960 53 Q 4.6131 8.1220 120.6182 54.1585 33.0575 175.7522 54 C 5.3897 8.2546 116.1932 56.8446 39.1809 176.4858 55 T 3.4054 7.9130 117.8568 66.4168 67.8343 175.3506 56 E 3.7679 7.7285 120.1753 59.6855 29.9875 179.3062 57 E 3.9766 8.0600 117.8392 59.2607 29.5439 178.8167 58 L 4.0976 7.9917 120.5307 58.3063 42.0356 179.0405 59 F 4.5742 8.6395 118.0001 60.9775 38.8519 177.1163 60 D 4.4481 8.6696 118.7744 57.8283 40.6294 179.2841 61 F 4.3094 8.4611 120.8409 61.3665 39.4938 177.0951 62 L 3.6952 8.5160 118.9537 58.1212 41.4387 179.2545 63 H 3.9900 8.9891 118.1237 59.1828 29.7005 177.2953 64 A 3.9782 7.7177 122.4690 54.9489 18.1396 179.5470 65 R 3.6398 7.9919 117.5652 59.6836 30.1663 178.3749 66 D 4.2586 8.1670 118.9746 57.6082 40.5903 178.2604 67 H 3.9401 7.8179 117.6326 59.3960 29.7515 176.0903 68 C 4.3748 7.8268 120.1343 59.6389 41.7471 175.4060 69 V 3.5841 7.8629 119.7385 66.1577 30.8532 177.4153 70 A 3.8806 7.9764 120.2666 55.9660 17.9191 179.2078 71 H 3.8692 7.7299 112.4754 58.3201 28.9459 176.9913 72 K 4.4535 7.4549 118.3108 57.2707 34.0840 177.9736 73 L 3.9565 8.5557 121.1224 58.5629 41.5517 179.1554 74 F 4.3621 8.5016 115.8523 59.6406 38.6275 177.0451 75 N 4.4970 8.5078 116.6998 55.4777 38.4375 175.8133 76 K 4.3371 7.8064 116.8530 56.3205 32.8598 176.3944 77 L 4.5226 7.0498 118.2344 52.9648 43.4101 176.5092 78 K 4.0848 8.2952 120.6802 56.6808 32.1512 176.4408 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 *9 E 8.44 4.35 0.00 1.73 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.40 0.00 10 E 8.42 4.32 0.00 2.02 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 2.23 2.39 0.00 11 E 7.83 4.41 0.00 1.90 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 2.21 2.29 0.00 12 E 8.30 4.61 0.00 1.85 1.75 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 2.18 2.28 0.00 13 L 8.36 4.51 0.00 1.60 1.55 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.10 4.30 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 0.87 0.00 0.00 0.93 0.00 0.00 15 D 8.54 4.59 0.00 2.75 2.55 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 0.00 0.00 0.00 0.00 16 P 0.00 4.24 0.00 2.30 2.33 0.00 3.74 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 17 L 8.61 3.96 0.00 1.85 1.75 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.91 3.89 4.26 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 0.00 0.00 0.00 1.23 0.00 0.00 19 T 7.80 4.00 4.41 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 20 I 7.90 3.97 1.91 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 1.55 1.21 0.96 0.00 0.00 21 R 8.10 3.99 0.00 2.06 2.01 0.00 3.32 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 22 E 7.93 3.95 0.00 2.14 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 2.38 2.70 0.00 23 H 8.22 4.27 0.00 3.27 3.35 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.21 4.40 0.00 3.24 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 25 E 8.17 4.04 0.00 2.20 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 0.00 2.66 2.67 0.00 26 Q 7.41 4.61 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.62 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 27 T 7.44 4.60 4.37 0.00 0.00 0.00 0.00 0.00 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 28 E 8.56 3.73 0.00 2.04 1.89 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 2.39 2.43 0.00 29 K 7.97 4.02 0.00 2.04 2.06 0.00 1.50 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.52 7.81 30 C 8.01 4.24 0.00 3.25 3.26 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 0.00 0.00 0.00 0.00 31 V 8.14 3.90 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 0.93 0.00 0.00 1.04 0.00 0.00 32 K 8.35 3.93 0.00 1.99 1.88 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.77 7.81 33 A 7.96 4.07 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.00 3.35 0.00 1.40 2.17 0.00 2.92 0.00 0.00 2.61 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 35 E 8.66 3.82 0.00 2.12 2.13 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 2.29 2.33 0.00 36 R 7.83 3.95 0.00 1.97 1.98 0.00 3.18 0.00 0.00 3.11 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 37 L 7.67 3.90 0.00 1.81 1.73 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 38 E 7.98 3.90 0.00 2.15 1.95 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 2.24 2.53 0.00 39 L 7.75 3.91 0.00 1.82 1.70 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 40 C 7.93 4.12 0.00 3.09 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 41 D 8.53 4.28 0.00 2.84 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.41 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.13 4.04 0.00 1.94 2.06 0.00 3.05 0.00 0.00 3.14 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.61 0.00 44 V 7.86 3.85 2.16 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 1.06 0.00 0.00 0.97 0.00 0.00 45 S 8.28 4.32 0.00 3.85 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 46 S 7.84 4.40 0.00 4.06 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 47 R 6.86 4.70 0.00 1.84 1.86 0.00 3.20 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 48 S 8.47 4.76 0.00 3.82 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.96 4.90 0.00 2.99 3.21 0.00 5.91 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.81 4.44 4.23 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 1.20 0.00 0.00 51 E 8.59 4.10 0.00 1.97 1.96 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 2.24 2.19 0.00 52 E 7.99 3.99 0.00 1.89 1.86 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 2.28 2.34 0.00 53 Q 8.12 4.61 0.00 1.95 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.28 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 54 C 8.25 5.39 0.00 2.89 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 55 T 7.91 3.41 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 0.15 0.00 0.00 56 E 7.73 3.77 0.00 1.97 1.90 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 2.39 2.47 0.00 57 E 8.06 3.98 0.00 2.20 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 2.38 2.42 0.00 58 L 7.99 4.10 0.00 1.79 1.83 1.12 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.64 4.57 0.00 3.20 3.02 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 60 D 8.67 4.45 0.00 2.89 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 F 8.46 4.31 0.00 3.15 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 8.52 3.70 0.00 1.89 1.69 1.11 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.99 3.99 0.00 3.20 3.47 0.00 5.58 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.72 3.98 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 R 7.99 3.64 0.00 1.04 1.41 0.00 3.07 0.00 0.00 2.98 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.52 0.00 66 D 8.17 4.26 0.00 2.73 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.82 3.94 0.00 3.16 3.38 0.00 5.76 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 C 7.83 4.37 0.00 3.03 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 69 V 7.86 3.58 2.20 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 0.98 0.00 0.00 0.98 0.00 0.00 70 A 7.98 3.88 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 71 H 7.73 3.87 0.00 3.26 3.43 0.00 5.80 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 7.45 4.45 0.00 1.90 1.83 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.38 1.45 7.81 73 L 8.56 3.96 0.00 1.85 1.87 0.96 1.32 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 74 F 8.50 4.36 0.00 2.97 3.09 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 0.00 0.00 0.00 75 N 8.51 4.50 0.00 2.91 2.90 0.00 0.00 6.92 7.26 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 76 K 7.81 4.34 0.00 1.79 1.84 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.41 7.81 77 L 7.05 4.52 0.00 1.39 1.34 0.62 0.71 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 78 K 8.30 4.08 0.00 1.66 1.62 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.39 7.81 * Residues marked with a * may have inaccurate shift predictions.