NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.1509 7.9829 118.5496 60.0262 38.0905 178.2568 3 D 4.2660 8.2787 118.7157 55.6458 39.8445 178.4277 4 T 4.2820 8.1297 113.4537 62.0920 70.2242 178.2408 5 A 3.9135 8.0348 122.6467 55.2673 18.6238 178.7020 6 A 4.3605 7.5674 118.0703 53.7241 18.9659 178.8363 7 K 4.2341 7.5881 118.6716 56.0745 32.2729 184.0499 *8 F 4.4498 7.9774 117.0359 59.4913 39.0602 183.2369 9 I 4.7398 7.4967 118.7534 58.7977 35.2954 178.3069 10 G 4.1927 7.8022 107.7883 45.6263 0.0000 173.2586 11 A 4.5235 8.0569 120.4021 52.1419 20.4234 177.7718 12 G 3.7335 7.5147 104.6658 47.3593 0.0000 176.0267 13 A 4.1622 7.9405 121.1406 53.8883 18.8903 177.7466 14 A 4.3093 8.0156 118.9276 53.7995 19.5267 178.5979 15 T 4.2303 7.5333 109.3797 62.4053 69.3390 182.6580 16 V 4.1736 7.6857 115.6860 61.8119 32.3013 183.0631 17 G 3.7909 8.0003 110.9503 48.8575 0.0000 176.2063 18 V 3.9502 7.4431 115.4121 61.2636 31.4794 183.2150 19 A 4.3371 7.7095 122.0413 55.3705 18.2704 180.2567 20 G 3.6350 7.8302 106.4016 48.4941 0.0000 176.8183 21 S 4.4380 8.0727 120.3097 62.3320 60.9463 178.9717 22 G 3.7410 7.9587 107.1848 47.9857 0.0000 175.3850 23 A 4.4681 7.7771 121.7053 53.2304 19.2777 179.6456 24 G 3.6539 8.0738 106.8153 48.2972 0.0000 176.6325 25 I 4.0520 7.7246 122.3710 64.3342 35.4057 181.6465 26 G 3.9650 7.6392 105.9514 48.5251 0.0000 176.7282 27 T 4.1285 8.1274 119.1866 66.0306 68.1213 181.9850 28 V 3.9436 7.8072 123.3116 66.9623 31.7910 182.5461 *29 F 4.4538 8.0262 121.1990 61.1868 37.9298 179.7612 30 G 3.8750 8.0374 107.3065 48.8151 0.0000 176.7786 31 S 4.3366 8.0256 122.7413 63.3896 62.4100 179.4766 32 L 4.1992 7.8505 126.0956 59.9146 40.4646 183.6986 33 I 4.2556 7.5320 120.4237 64.9504 35.5476 182.0591 34 I 4.6367 7.3465 117.4740 62.2171 35.6397 180.6237 35 G 4.2293 7.4874 109.7229 48.3035 0.0000 176.2179 *36 Y 4.1940 7.7587 121.7494 60.3775 36.6587 179.4022 37 A 4.3638 7.9870 121.9758 56.3693 18.7424 180.0259 38 R 4.0285 7.8010 120.5824 59.0544 29.6960 180.6528 39 N 4.6458 7.3470 116.9395 52.3492 37.4162 177.6181 40 P 4.9383 0.0000 0.0000 63.4535 33.2058 176.3633 41 S 4.5739 7.8793 118.4198 59.5431 60.8987 181.2555 42 L 3.9608 7.8223 129.4102 58.0109 41.5784 179.9637 43 K 4.0360 8.0438 124.6396 55.6748 31.6495 180.6859 44 Q 3.4909 9.3085 127.1949 54.5489 25.9780 169.6318 45 Q 3.9477 8.5698 117.9030 58.4342 26.8349 172.6756 46 L 4.4427 7.5318 122.2335 58.9829 41.8789 181.6879 *47 F 4.4764 7.6452 121.2330 61.8260 38.4024 180.0256 48 S 4.5904 8.1346 119.2803 64.3391 62.3584 180.9938 *49 Y 4.3737 7.4148 120.7318 61.4255 36.7836 180.6325 50 A 4.3512 8.0800 122.8093 55.7411 18.0942 179.7938 51 I 4.0802 7.5919 119.2615 64.3744 35.2233 182.7749 52 L 4.4081 7.7436 121.0721 59.1268 41.0300 184.3004 53 G 3.9917 8.1490 107.0280 48.0915 0.0000 176.5856 *54 F 4.0983 8.0424 121.8467 61.1517 37.7300 180.8500 55 A 4.3738 7.7343 121.7545 55.5722 18.1587 179.4521 56 L 4.3770 7.6144 119.4958 58.1932 39.9787 181.4559 57 S 4.9404 7.7401 119.7030 62.3986 64.1083 181.0300 58 E 4.0002 7.9535 117.5643 58.6646 29.8732 182.1240 59 A 4.2845 7.8297 124.1847 57.0718 18.4165 180.5444 60 M 4.3207 8.0676 118.3122 59.2726 31.7133 180.4427 61 G 3.9747 7.7157 104.7136 47.4646 0.0000 175.5637 62 L 4.5846 7.6791 124.7945 57.5487 41.4368 183.2183 *63 F 4.9273 7.6002 119.1085 60.6880 40.1385 182.6297 64 C 4.7016 7.9587 119.0837 62.7308 28.1126 181.3846 65 L 4.6214 7.6786 123.7084 59.1217 40.5413 182.5962 66 M 4.6447 8.0298 118.8889 59.2220 31.8079 184.2079 67 V 4.0725 7.4758 117.9255 66.5330 31.9831 183.7319 68 A 4.2176 7.7888 123.7928 55.1539 18.4139 179.5682 *69 F 4.2173 7.7142 113.3730 58.3703 38.4033 181.6629 70 L 4.5437 7.5885 124.6843 59.4847 41.2813 183.9637 71 I 4.4746 7.1757 119.1595 63.6155 35.6600 181.4451 72 L 4.6488 7.8710 124.8153 59.1026 41.4581 181.9877 *73 F 4.5767 7.6632 121.6952 56.5316 39.0639 177.1244 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 I 7.98 4.15 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 0.64 0.91 0.00 0.00 3 D 8.28 4.27 0.00 2.77 2.60 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 4 T 8.13 4.28 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 5 A 8.03 3.91 1.34 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 0.00 0.00 6 A 7.57 4.36 1.41 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 0.00 0.00 0.00 7 K 7.59 4.23 0.00 1.61 1.72 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.25 7.81 *8 F 7.98 4.45 0.00 2.24 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.50 4.74 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 1.18 0.91 0.00 0.00 10 G 7.80 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.06 4.52 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 12 G 7.51 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 13 A 7.94 4.16 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.02 4.31 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 15 T 7.53 4.23 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 16 V 7.69 4.17 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 0.70 0.00 0.00 0.93 0.00 0.00 17 G 8.00 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.44 3.95 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 0.72 0.00 0.00 0.93 0.00 0.00 19 A 7.71 4.34 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.83 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.07 4.44 0.00 3.75 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 22 G 7.96 3.74 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 0.00 0.00 0.00 23 A 7.78 4.47 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 24 G 8.07 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.72 4.05 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 1.45 0.70 0.91 0.00 0.00 26 G 7.64 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.13 4.13 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 28 V 7.81 3.94 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 0.71 0.00 0.00 0.93 0.00 0.00 *29 F 8.03 4.45 0.00 2.32 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 0.00 0.00 0.00 0.00 30 G 8.04 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 0.00 0.00 0.00 31 S 8.03 4.34 0.00 3.77 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 32 L 7.85 4.20 0.00 1.66 1.70 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.53 4.26 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 1.10 0.91 0.00 0.00 34 I 7.35 4.64 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 1.45 1.16 0.91 0.00 0.00 35 G 7.49 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 0.00 0.00 0.00 0.00 *36 Y 7.76 4.19 0.00 2.37 2.31 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 37 A 7.99 4.36 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 38 R 7.80 4.03 0.00 1.89 1.86 0.00 3.39 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 39 N 7.35 4.65 0.00 2.94 2.74 0.00 0.00 6.65 7.62 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 40 P 0.00 4.94 0.00 2.03 1.90 0.00 3.71 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 1.82 1.53 0.00 41 S 7.88 4.57 0.00 3.65 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 42 L 7.82 3.96 0.00 1.57 1.69 0.92 0.81 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 43 K 8.04 4.04 0.00 1.77 1.66 0.00 1.92 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.01 7.81 44 Q 9.31 3.49 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.09 0.00 0.00 0.00 0.00 0.00 2.18 1.90 0.00 45 Q 8.57 3.95 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.69 0.00 0.00 0.00 0.00 0.00 2.25 1.91 0.00 46 L 7.53 4.44 0.00 1.75 1.67 0.92 1.14 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 *47 F 7.65 4.48 0.00 2.42 2.23 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 48 S 8.13 4.59 0.00 3.73 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 *49 Y 7.41 4.37 0.00 2.28 2.33 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 50 A 8.08 4.35 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 51 I 7.59 4.08 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 0.71 0.91 0.00 0.00 52 L 7.74 4.41 0.00 1.64 1.69 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.15 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 *54 F 8.04 4.10 0.00 2.34 2.30 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.73 4.37 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 56 L 7.61 4.38 0.00 1.80 1.58 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.74 4.94 0.00 3.82 3.86 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 58 E 7.95 4.00 0.00 2.01 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 2.20 2.18 0.00 59 A 7.83 4.28 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.07 4.32 0.00 2.04 2.09 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 2.60 2.17 0.00 61 G 7.72 3.97 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 0.00 0.00 0.00 62 L 7.68 4.58 0.00 1.79 1.57 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 *63 F 7.60 4.93 0.00 2.42 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 C 7.96 4.70 0.00 2.78 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 65 L 7.68 4.62 0.00 1.75 1.69 0.92 0.89 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 66 M 8.03 4.64 0.00 2.11 1.99 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 2.49 2.16 0.00 67 V 7.48 4.07 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 0.78 0.00 0.00 0.93 0.00 0.00 68 A 7.79 4.22 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 *69 F 7.71 4.22 0.00 2.36 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 0.00 0.00 0.00 0.00 70 L 7.59 4.54 0.00 1.69 1.60 0.92 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 71 I 7.18 4.47 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 1.13 0.91 0.00 0.00 72 L 7.87 4.65 0.00 1.73 1.54 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 *73 F 7.66 4.58 0.00 2.24 2.01 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 * Residues marked with a * may have inaccurate shift predictions.