NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4546 8.1633 120.3523 55.6331 34.4926 177.3996 2 L 4.1250 8.2537 119.7133 55.6364 41.6440 178.0121 3 Q 4.0450 8.2579 117.3605 59.0953 28.9481 177.9449 4 K 3.9358 8.0140 121.0656 59.2796 32.4400 178.7778 5 K 3.9837 8.3738 119.0281 59.3409 31.9448 179.2583 6 I 3.6879 7.7982 120.1122 64.4075 37.0909 177.8478 7 E 3.9334 8.5352 120.2662 59.6645 29.2783 178.8630 8 E 4.1255 8.6227 117.1238 59.0917 29.6989 179.0404 9 E 4.1533 8.1609 118.3671 59.0377 29.6755 178.3547 10 A 4.3064 8.3232 118.1678 53.1713 18.6563 178.4584 11 A 4.0984 8.8119 121.0633 55.2126 19.3251 179.5200 12 K 4.4761 7.5278 116.0636 55.6675 31.3042 177.5523 13 Y 4.3011 8.0440 117.2974 60.9737 38.6308 178.6801 14 K 3.9690 8.1779 118.6223 59.3177 32.9652 177.4236 15 Y 4.2771 8.3856 119.1020 56.3724 36.6213 175.7461 16 A 3.8115 7.7874 125.9463 55.5488 19.0563 179.3179 17 M 3.9761 7.9114 116.5670 58.3768 32.0706 178.9526 18 L 3.9810 7.8048 118.9383 57.6109 42.0571 179.4659 19 K 3.7093 7.9604 118.7249 59.6061 32.3188 179.1217 20 K 3.7775 7.9949 120.9071 59.1222 32.0297 178.0480 21 C 4.3416 8.5449 117.6136 60.0389 39.4916 174.8480 22 C 4.0148 7.9218 119.9628 60.3847 43.9544 175.6375 23 Y 3.7562 7.7224 117.6278 60.7131 37.1047 177.8517 24 D 4.0817 8.2057 119.9792 57.1405 41.2712 178.7853 25 G 2.9360 6.8823 105.7902 47.3264 0.0000 175.7319 26 A 4.0464 7.5811 122.4039 54.2556 19.5958 178.2329 27 Y 4.5415 6.9190 116.1663 58.2820 35.9883 178.6935 28 R 4.3129 7.4592 121.4333 55.5424 28.7325 174.9948 29 N 4.9814 7.9801 115.4294 52.4862 40.8100 175.7811 30 D 4.4244 8.2544 117.8501 54.4587 39.9066 178.3192 31 D 4.7224 8.3385 118.1194 55.3457 40.8350 175.6274 32 E 4.2962 7.8772 118.6796 56.4855 29.9402 177.9872 33 T 4.4080 8.5041 116.0504 62.2413 68.0086 172.7430 34 C 4.4567 8.6850 123.3500 58.5323 42.9445 175.4972 35 E 3.8857 8.2151 120.1403 58.5148 29.1072 178.6473 36 E 3.9164 8.0857 119.6258 59.1808 29.7101 178.8542 37 R 3.9032 7.9195 117.4526 58.9753 30.0346 177.8533 38 A 3.8427 7.8153 117.2040 52.2837 18.5125 178.6685 39 A 4.0043 7.6630 121.0295 55.1635 18.5031 180.1766 40 R 4.1364 7.4490 115.3864 58.6116 31.2511 178.3200 41 I 4.0149 7.7009 121.1619 61.0764 34.6667 175.2964 42 K 4.4707 7.8958 119.9912 56.3596 33.1105 178.5734 43 I 3.8029 7.9062 122.6372 64.7137 37.4383 176.7346 44 G 4.0295 7.5547 103.3771 42.0526 0.0000 172.2813 45 P 4.2502 0.0000 0.0000 65.7293 31.3314 179.2506 46 K 3.9499 8.0061 116.4375 59.3874 31.8528 179.7462 47 C 4.2264 8.0006 118.3442 59.6881 39.8566 175.3001 48 V 3.5135 7.8035 119.7323 66.0858 31.0217 178.0265 49 K 3.8354 8.1574 117.5786 59.4305 31.9774 178.8241 50 A 3.9434 8.2342 121.2399 55.2844 18.2974 179.1726 51 F 3.8167 8.4979 119.1911 61.4012 39.4174 177.2014 52 K 3.6708 8.6090 119.2340 59.5970 31.4743 178.5441 53 D 4.2609 7.9771 119.0516 57.4398 40.6686 178.0207 54 C 4.2639 8.1491 117.0321 60.1527 38.4584 175.2912 55 C 4.3609 8.4411 121.5396 59.3289 42.1729 175.1976 56 Y 4.3735 7.9143 118.1555 61.3951 37.3927 178.8480 57 I 3.7650 7.9266 120.4308 64.2458 37.1067 178.3382 58 A 3.9689 8.2871 121.8955 55.1217 18.2007 179.1687 59 N 4.2629 8.8795 115.8352 57.1494 39.0656 177.2167 60 Q 4.1473 8.2034 119.3645 58.9361 28.6657 179.0886 61 V 3.6738 8.1999 113.9504 64.1423 31.3320 178.5493 62 R 4.2927 8.4371 119.4005 58.8620 29.9866 178.1375 63 A 4.1011 8.3418 120.2099 54.5318 18.3058 178.8521 64 E 4.2165 7.4808 116.8525 57.1179 30.7102 176.3827 65 Q 4.3723 8.4702 119.8894 54.8080 31.1662 176.1051 *66 S 4.2554 8.7061 117.4033 58.2866 63.0281 170.4099 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 1 M 8.16 4.45 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.60 0.00 2 L 8.25 4.12 0.00 1.91 1.78 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 3 Q 8.26 4.05 0.00 2.26 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.93 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 4 K 8.01 3.94 0.00 1.90 2.06 0.00 1.61 0.00 0.00 1.90 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.76 7.81 5 K 8.37 3.98 0.00 1.99 1.84 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.61 7.81 6 I 7.80 3.69 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.80 1.00 0.00 0.00 7 E 8.54 3.93 0.00 2.07 2.18 0.00 0.00 0.00 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 2.52 0.00 8 E 8.62 4.13 0.00 1.93 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 2.35 2.52 0.00 9 E 8.16 4.15 0.00 1.99 1.93 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 2.42 2.43 0.00 10 A 8.32 4.31 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.81 4.10 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.53 4.48 0.00 2.32 2.10 0.00 1.31 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.65 1.53 7.81 13 Y 8.04 4.30 0.00 2.87 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 14 K 8.18 3.97 0.00 1.61 1.59 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.47 7.81 15 Y 8.39 4.28 0.00 3.10 2.87 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 0.00 0.00 0.00 16 A 7.79 3.81 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 17 M 7.91 3.98 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.62 0.00 18 L 7.80 3.98 0.00 1.80 1.81 0.95 0.82 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 19 K 7.96 3.71 0.00 1.51 2.04 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.99 1.40 7.81 20 K 7.99 3.78 0.00 1.84 1.89 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.49 1.66 7.81 21 C 8.54 4.34 0.00 3.19 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 22 C 7.92 4.01 0.00 2.84 3.06 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 23 Y 7.72 3.76 0.00 2.79 2.57 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 0.00 0.00 0.00 0.00 24 D 8.21 4.08 0.00 2.49 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 25 G 6.88 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 0.00 0.00 0.00 26 A 7.58 4.05 1.13 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 0.00 0.00 0.00 27 Y 6.92 4.54 0.00 2.95 2.82 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 0.00 0.00 0.00 0.00 28 R 7.46 4.31 0.00 1.76 1.88 0.00 3.51 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 29 N 7.98 4.98 0.00 2.73 2.82 0.00 0.00 7.28 8.08 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 30 D 8.25 4.42 0.00 2.83 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 31 D 8.34 4.72 0.00 2.86 2.87 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 0.00 0.00 0.00 32 E 7.88 4.30 0.00 2.08 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.61 0.00 33 T 8.50 4.41 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 1.24 0.00 0.00 34 C 8.69 4.46 0.00 3.44 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.22 3.89 0.00 2.07 2.03 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 2.37 2.42 0.00 36 E 8.09 3.92 0.00 2.07 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 2.29 2.34 0.00 37 R 7.92 3.90 0.00 2.04 1.99 0.00 3.36 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 38 A 7.82 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.66 4.00 1.32 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 0.00 0.00 40 R 7.45 4.14 0.00 1.97 1.97 0.00 3.16 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 41 I 7.70 4.01 1.51 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.35 0.97 0.00 0.00 42 K 7.90 4.47 0.00 1.82 1.99 0.00 1.56 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.42 7.81 43 I 7.91 3.80 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.83 0.92 0.00 0.00 44 G 7.55 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 0.00 0.00 0.00 45 P 0.00 4.25 0.00 2.14 2.10 0.00 3.59 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 46 K 8.01 3.95 0.00 1.74 1.98 0.00 1.53 0.00 0.00 1.76 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.44 7.81 47 C 8.00 4.23 0.00 2.99 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.80 3.51 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 0.80 0.00 0.00 0.98 0.00 0.00 49 K 8.16 3.84 0.00 1.97 1.83 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.59 7.81 50 A 8.23 3.94 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.50 3.82 0.00 3.22 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.61 3.67 0.00 1.80 1.87 0.00 1.62 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.93 1.01 7.81 53 D 7.98 4.26 0.00 2.72 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 54 C 8.15 4.26 0.00 3.07 3.06 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 55 C 8.44 4.36 0.00 3.03 3.21 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 0.00 0.00 0.00 0.00 56 Y 7.91 4.37 0.00 3.12 2.89 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 57 I 7.93 3.77 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.00 0.93 0.00 0.00 58 A 8.29 3.97 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 59 N 8.88 4.26 0.00 2.99 3.05 0.00 0.00 7.29 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 60 Q 8.20 4.15 0.00 2.35 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.51 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 61 V 8.20 3.67 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 0.98 0.00 0.00 1.02 0.00 0.00 62 R 8.44 4.29 0.00 1.90 2.17 0.00 3.18 0.00 0.00 3.30 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 63 A 8.34 4.10 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 64 E 7.48 4.22 0.00 2.11 2.15 0.00 0.00 0.00 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 2.45 0.00 65 Q 8.47 4.37 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.32 0.00 0.00 0.00 0.00 0.00 2.38 2.26 0.00 *66 S 8.71 4.26 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 * Residues marked with a * may have inaccurate shift predictions.