NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.6254 8.3377 123.8661 55.4615 33.1695 175.4828 3 M 4.5395 8.8436 123.2708 51.4494 34.5367 170.1260 4 I 4.7880 8.3007 119.3926 59.9320 40.3235 176.2883 5 K 4.8068 8.3252 122.3456 55.2092 36.0751 176.7453 6 V 5.0407 8.5203 123.9698 59.9554 35.3803 174.7299 7 K 4.7736 10.6383 129.0258 53.5505 36.8351 174.3153 8 V 4.7570 8.7723 122.2187 61.6549 33.2139 177.0249 9 I 3.3795 8.3697 121.9704 58.5148 36.6993 172.8974 10 G 4.0086 8.4931 117.2493 46.6596 0.0000 174.3203 11 R 4.2684 8.3961 117.7696 56.2350 31.5887 178.3954 12 N 4.4086 8.5945 113.3940 54.7027 33.5309 182.5121 13 I 4.4390 7.3272 119.4901 58.7564 37.0766 176.4154 14 E 4.5141 8.4216 124.4318 54.7197 30.9265 176.6882 15 K 4.3488 8.5997 125.5839 53.3201 33.3510 173.3687 16 E 3.9617 8.3209 124.4561 55.8372 30.6530 176.6663 17 I 4.3648 8.0708 115.4965 60.6702 39.3978 174.4728 18 E 4.8394 8.8018 126.5161 55.0593 31.4874 173.2142 *19 W 4.1361 8.4075 121.8595 59.3928 33.6005 172.1298 20 R 4.5610 8.2105 126.1041 58.5566 37.7400 174.9492 21 E 4.6779 9.2708 113.7038 59.4072 32.3614 175.2455 22 G 4.1130 9.4393 116.3089 45.7495 0.0000 173.8600 23 M 4.4353 7.6105 118.4478 54.4320 32.9324 180.0479 24 K 4.8519 8.2417 120.1650 56.5221 37.1891 173.1486 25 V 3.9038 8.6668 121.2141 68.1602 31.2807 179.9991 26 R 4.1086 8.1966 122.1684 62.7328 29.0964 180.4316 27 D 4.6658 8.3930 122.2894 59.4460 39.5012 181.6022 28 I 3.9288 7.6504 123.0464 66.0562 35.8042 180.6801 29 L 4.4333 8.1510 126.0943 59.9331 40.4984 182.2037 30 R 4.1845 8.6047 121.3007 61.3110 29.0372 181.0788 31 A 4.3475 8.1760 121.7458 54.9616 18.4153 179.7649 32 V 4.0167 8.2387 116.9958 62.5361 32.0630 182.0521 33 G 3.9513 10.3888 107.1490 47.3908 0.0000 175.0443 *34 F 4.4489 7.9356 121.0662 55.7094 39.9314 179.4423 35 N 4.5701 8.7547 133.5523 52.5933 36.0995 174.2595 36 T 3.3945 7.7886 113.8066 62.7456 65.4287 173.7581 37 E 4.4107 8.5720 123.9188 57.8415 31.9081 177.5457 38 S 4.5040 7.7917 117.1759 54.7003 60.8631 174.0295 39 A 4.4254 6.5229 126.7472 52.9441 22.3339 176.3742 40 I 4.7667 7.8529 116.0221 58.8775 39.1370 170.8785 41 A 4.8472 8.6503 129.0277 50.4046 22.1353 176.8495 42 K 5.1649 8.4711 125.9186 54.5473 35.0972 176.4953 43 V 4.1424 8.6403 126.1855 60.2953 33.1266 173.2835 44 N 4.3468 10.0044 119.2109 52.4704 34.8523 173.8658 45 G 3.9885 8.7156 108.5658 46.5362 0.0000 174.8306 46 K 4.5175 8.3065 124.3528 53.4781 33.6127 182.2628 47 V 4.6354 8.1456 123.2044 61.8052 33.2163 175.5672 48 V 4.4480 8.2747 120.9002 62.4252 36.0908 173.7272 49 L 4.8186 8.2633 121.5656 55.2565 44.0548 174.0711 50 E 3.9275 9.0783 113.4124 60.8077 29.6464 174.3446 51 D 4.6728 7.9967 116.9212 54.0277 40.8684 180.1320 52 D 4.5697 7.7946 119.1533 53.6373 38.4957 181.8186 53 E 3.9971 8.2387 124.2793 55.0049 31.1853 175.6596 54 V 4.4990 7.8802 116.8352 61.9619 34.2457 175.5089 55 K 4.4235 8.5108 116.8694 57.7573 34.9376 171.7496 56 D 4.7525 8.8000 120.2545 52.5940 37.9120 174.0910 57 G 3.8342 8.0009 106.4322 48.9051 0.0000 174.2586 58 D 4.6579 7.6419 119.7690 53.5593 42.1137 179.0778 *59 F 5.0129 8.1836 128.4084 57.4317 36.8237 178.8026 60 V 4.6546 9.4103 121.6795 62.2318 36.0983 171.8005 61 E 5.2127 8.9710 125.6379 54.7368 32.3643 174.3003 62 V 4.6129 9.8932 127.2333 60.2103 35.8397 171.5948 63 I 4.5188 9.2379 131.4427 58.2970 39.3371 167.0828 64 P 4.2505 0.0000 0.0000 62.6680 30.7890 178.4729 65 V 4.0081 8.5944 127.2097 61.7262 30.0788 180.9314 66 V 4.1386 7.1907 122.5783 59.6961 31.0033 176.2872 67 S 4.3516 8.2897 120.4039 58.2439 62.2041 173.6750 68 G 4.1565 8.1841 116.7824 44.4765 0.0000 172.9509 69 G 3.7260 8.2567 114.0502 45.7347 0.0000 173.7029 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 K 8.34 4.63 0.00 1.56 1.70 0.00 1.62 0.00 0.00 0.61 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 0.87 7.81 3 M 8.84 4.54 0.00 2.07 1.83 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.17 0.00 4 I 8.30 4.79 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.22 0.91 0.00 0.00 5 K 8.33 4.81 0.00 1.43 1.62 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.26 1.24 7.81 6 V 8.52 5.04 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 0.88 0.00 0.00 0.93 0.00 0.00 7 K 10.64 4.77 0.00 1.38 1.62 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.26 1.25 7.81 8 V 8.77 4.76 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 1.02 0.00 0.00 0.93 0.00 0.00 9 I 8.37 3.38 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.07 0.91 0.00 0.00 10 G 8.49 4.01 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 0.00 0.00 0.00 11 R 8.40 4.27 0.00 1.82 1.83 0.00 3.28 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.42 0.00 12 N 8.59 4.41 0.00 2.87 2.99 0.00 0.00 6.35 7.72 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 13 I 7.33 4.44 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.24 0.91 0.00 0.00 14 E 8.42 4.51 0.00 1.97 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 1.86 0.00 15 K 8.60 4.35 0.00 1.72 1.60 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.25 0.98 7.81 16 E 8.32 3.96 0.00 1.97 1.83 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 2.25 1.93 0.00 17 I 8.07 4.36 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.28 0.91 0.00 0.00 18 E 8.80 4.84 0.00 1.74 1.52 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 2.23 1.90 0.00 *19 W 8.41 4.14 0.00 2.13 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 0.00 0.00 0.00 0.00 20 R 8.21 4.56 0.00 1.54 0.74 0.00 3.28 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.18 0.00 21 E 9.27 4.68 0.00 1.92 1.72 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 1.99 1.71 0.00 22 G 9.44 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 23 M 7.61 4.44 0.00 2.05 1.91 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.10 0.00 24 K 8.24 4.85 0.00 1.69 1.62 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.34 1.06 7.81 25 V 8.67 3.90 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 0.75 0.00 0.00 0.93 0.00 0.00 26 R 8.20 4.11 0.00 1.80 1.99 0.00 3.26 0.00 0.00 3.37 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.31 0.00 27 D 8.39 4.67 0.00 2.67 2.69 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 28 I 7.65 3.93 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.09 0.91 0.00 0.00 29 L 8.15 4.43 0.00 1.66 1.70 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.60 4.18 0.00 1.77 1.98 0.00 3.24 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 31 A 8.18 4.35 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 32 V 8.24 4.02 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 0.81 0.00 0.00 0.93 0.00 0.00 33 G 10.39 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 0.00 0.00 0.00 0.00 *34 F 7.94 4.45 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 0.00 0.00 0.00 35 N 8.75 4.57 0.00 2.73 2.72 0.00 0.00 6.90 7.71 0.00 0.00 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 T 7.79 3.39 4.24 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 0.00 0.00 0.00 1.21 0.00 0.00 37 E 8.57 4.41 0.00 1.97 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 2.15 1.85 0.00 38 S 7.79 4.50 0.00 3.65 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 39 A 6.52 4.43 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 40 I 7.85 4.77 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.87 0.91 0.00 0.00 41 A 8.65 4.85 1.22 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 0.00 0.00 42 K 8.47 5.16 0.00 1.49 1.56 0.00 1.69 0.00 0.00 2.40 0.00 0.00 2.91 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.25 0.85 7.81 43 V 8.64 4.14 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 0.69 0.00 0.00 0.93 0.00 0.00 44 N 10.00 4.35 0.00 2.86 2.75 0.00 0.00 6.96 7.51 0.00 0.00 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 G 8.72 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 0.00 0.00 0.00 46 K 8.31 4.52 0.00 1.63 1.68 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.29 1.23 7.81 47 V 8.15 4.64 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 0.85 0.00 0.00 0.93 0.00 0.00 48 V 8.27 4.45 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 0.74 0.00 0.00 0.93 0.00 0.00 49 L 8.26 4.82 0.00 1.30 1.57 0.92 0.83 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 50 E 9.08 3.93 0.00 1.98 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 2.23 1.88 0.00 51 D 8.00 4.67 0.00 2.68 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 D 7.79 4.57 0.00 2.66 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.24 4.00 0.00 1.98 1.81 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 2.24 1.93 0.00 54 V 7.88 4.50 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 0.89 0.00 0.00 0.93 0.00 0.00 55 K 8.51 4.42 0.00 1.72 1.54 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.24 0.97 7.81 56 D 8.80 4.75 0.00 2.82 2.88 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 57 G 8.00 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 0.00 0.00 0.00 58 D 7.64 4.66 0.00 2.62 2.56 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 0.00 0.00 0.00 0.00 *59 F 8.18 5.01 0.00 2.29 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 0.00 0.00 0.00 60 V 9.41 4.65 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 0.58 0.00 0.00 0.93 0.00 0.00 61 E 8.97 5.21 0.00 1.71 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 2.12 1.84 0.00 62 V 9.89 4.61 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 0.63 0.00 0.00 0.93 0.00 0.00 63 I 9.24 4.52 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.32 0.91 0.00 0.00 64 P 0.00 4.25 0.00 2.09 1.91 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.64 0.00 65 V 8.59 4.01 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 0.82 0.00 0.00 0.93 0.00 0.00 66 V 7.19 4.14 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 0.89 0.00 0.00 0.93 0.00 0.00 67 S 8.29 4.35 0.00 3.62 3.72 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 68 G 8.18 4.16 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 0.00 69 G 8.26 3.73 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.