NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.1840 8.3149 121.7988 56.1534 33.4622 174.2744 *4 R 5.2121 8.0587 118.1873 56.4713 31.2564 175.5201 5 K 4.5410 8.4378 121.8988 54.7741 36.0937 174.5256 6 L 4.5447 8.3874 128.7319 54.7283 42.9518 177.6048 7 V 3.6576 9.0448 126.5311 66.0790 31.5837 178.0863 8 K 3.9981 7.9615 119.1128 58.8727 32.1330 176.7206 9 D 4.5061 8.1281 116.8400 54.4007 41.0545 177.2051 10 F 3.0190 7.2829 119.5763 54.9930 38.6350 177.1430 11 G 3.8439 8.4776 110.1483 44.6533 0.0000 173.7592 12 D 4.4062 8.5881 117.6335 57.2259 40.7812 177.3886 13 D 4.5993 8.1696 115.7650 53.9966 39.7203 175.1730 14 Y 5.0774 7.6335 117.6232 56.8372 40.8742 175.0945 15 T 4.6915 9.0554 119.1493 61.6823 71.4263 173.1514 16 L 4.2576 8.5907 128.8757 54.4993 43.2571 175.6100 17 I 4.5296 8.6453 127.8989 59.6885 39.0071 176.1351 18 Q 4.4383 8.6787 124.1272 56.0099 30.8650 176.0859 19 D 4.3460 8.0716 118.9723 54.1644 42.0517 176.1085 20 S 4.1783 8.9123 122.7053 62.2451 62.9283 176.7859 21 Q 3.9927 8.1427 121.4868 58.1571 28.4628 178.4106 22 E 3.9257 8.5657 120.4439 59.1347 29.7350 178.5631 23 V 3.5257 8.1255 118.7607 66.2838 31.5631 177.7240 24 K 3.8595 8.3397 118.8238 59.4968 31.8896 178.5430 25 A 4.0369 7.8486 120.5284 55.2527 18.3695 179.6546 26 I 3.8072 7.8395 118.2392 64.6076 37.1608 178.5974 27 L 4.0359 8.0656 119.7647 58.0077 41.4518 179.5881 28 E 4.0275 8.4044 118.4184 59.5637 29.2018 178.6535 29 Y 4.2166 8.4291 119.3047 59.9919 38.9208 177.2788 30 I 4.1996 7.9263 111.0995 59.9078 38.1990 176.0275 31 G 3.8193 7.7448 108.3065 46.5460 0.0000 173.4884 32 S 4.5252 8.3438 114.1256 57.2154 63.1851 173.7184 33 E 4.5643 8.5370 124.8614 56.1269 29.7354 176.0728 34 E 4.2555 7.9770 119.0341 56.4968 30.6108 176.6413 35 E 4.7434 8.1798 117.6817 54.4988 29.9337 174.0396 36 P 4.7719 0.0000 0.0000 62.6909 32.6374 176.7628 37 H 4.4650 8.4029 116.0065 57.6157 29.5352 174.9723 38 A 4.7786 7.4795 118.1427 50.8024 23.1066 174.6462 39 L 4.9731 8.4993 117.3625 53.4355 46.9975 175.8067 40 F 5.0736 9.1083 120.0970 55.9714 41.3253 175.1765 41 V 5.1395 9.0070 117.0673 59.3798 35.6671 174.7331 42 K 4.7904 9.4155 123.7793 54.7855 34.9002 175.0639 43 V 4.6713 8.5506 127.7869 62.0393 32.8184 175.4360 44 G 4.4325 9.6762 112.3576 46.8888 0.0000 172.8655 45 D 4.1976 9.5017 121.7962 55.2843 39.3470 173.6559 46 G 3.8444 8.8100 101.5725 45.6815 0.0000 173.1025 47 D 4.1974 7.4211 117.9408 53.2307 44.5634 173.7088 48 Y 5.0650 8.2657 119.1918 57.3035 37.9580 175.6744 49 E 4.3255 9.6664 126.5098 59.0012 30.7232 177.2651 50 E 5.3025 8.3259 117.3877 54.6051 34.4628 174.9012 51 V 4.9789 8.8134 122.2868 61.2069 34.9382 174.1248 52 W 5.2610 9.9100 127.7687 54.8588 33.0668 174.7635 53 G 4.2541 8.4901 109.7212 44.2707 0.0000 171.8792 54 I 4.9565 7.9913 112.9031 58.6190 41.1566 174.8816 55 D 4.9646 8.7106 122.8952 54.7507 41.3926 175.9552 56 S 4.6089 7.5681 111.5530 56.5174 65.5911 173.7204 57 F 4.3674 8.6838 124.0445 59.0695 39.2214 176.1351 58 V 4.3199 7.2982 113.2294 58.6920 34.2589 174.8970 59 P 4.5569 0.0000 0.0000 61.6295 30.2156 175.7675 60 Y 3.9372 7.1849 119.5662 58.6155 38.7743 178.0127 61 N 4.3655 8.5530 121.1052 55.8317 38.8137 175.9297 62 F 4.6481 7.1267 110.7362 57.1674 38.8594 175.6376 63 L 4.5805 7.5395 122.0894 54.7167 43.2119 175.1279 64 E 5.1746 8.8116 121.4348 54.6285 31.5182 174.9917 65 A 4.9740 9.3753 129.5598 50.9718 21.4387 175.1057 66 Y 5.2433 7.9995 118.8049 54.9077 40.7211 175.1261 67 R 3.2920 8.6129 124.3351 56.2941 30.0052 175.6782 68 L 4.5896 8.8300 125.9947 55.3115 44.2896 176.6417 69 K 4.0200 7.4089 124.1245 56.6588 32.2464 175.1451 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 8.31 4.18 0.00 1.81 2.02 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.89 7.81 *4 R 8.06 5.21 0.00 1.89 2.04 0.00 3.39 0.00 0.00 4.01 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.63 0.00 5 K 8.44 4.54 0.00 1.36 0.74 0.00 0.88 0.00 0.00 1.15 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.49 0.99 7.81 6 L 8.39 4.54 0.00 1.79 1.57 1.03 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 7 V 9.04 3.66 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 0.95 0.00 0.00 1.02 0.00 0.00 8 K 7.96 4.00 0.00 1.91 1.80 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.45 7.81 9 D 8.13 4.51 0.00 2.46 2.38 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 10 F 7.28 3.02 0.00 2.56 2.21 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 11 G 8.48 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 0.00 0.00 0.00 12 D 8.59 4.41 0.00 2.71 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.17 4.60 0.00 2.59 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.63 5.08 0.00 3.10 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 15 T 9.06 4.69 4.32 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 1.24 0.00 0.00 16 L 8.59 4.26 0.00 1.42 1.46 0.27 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.65 4.53 1.76 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.66 0.87 0.00 0.00 18 Q 8.68 4.44 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.91 0.00 0.00 0.00 0.00 0.00 2.17 2.31 0.00 19 D 8.07 4.35 0.00 2.80 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 20 S 8.91 4.18 0.00 4.14 4.21 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 21 Q 8.14 3.99 0.00 2.29 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.96 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 22 E 8.57 3.93 0.00 2.05 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 2.31 2.33 0.00 23 V 8.13 3.53 2.27 0.00 0.00 0.00 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 0.96 0.00 0.00 24 K 8.34 3.86 0.00 1.96 1.98 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.28 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.61 1.50 7.81 25 A 7.85 4.04 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.84 3.81 1.94 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.77 0.64 0.00 0.00 27 L 8.07 4.04 0.00 1.88 1.75 0.98 0.86 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 28 E 8.40 4.03 0.00 2.28 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 2.36 2.70 0.00 29 Y 8.43 4.22 0.00 3.06 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.93 4.20 1.89 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 1.83 0.88 1.13 0.00 0.00 31 G 7.74 3.82 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 0.00 0.00 0.00 32 S 8.34 4.53 0.00 3.82 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 33 E 8.54 4.56 0.00 1.97 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 2.23 2.30 0.00 34 E 7.98 4.26 0.00 2.06 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 2.34 2.47 0.00 35 E 8.18 4.74 0.00 1.87 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 2.20 2.25 0.00 36 P 0.00 4.77 0.00 2.29 2.13 0.00 3.49 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 37 H 8.40 4.47 0.00 2.60 1.91 0.00 5.65 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.48 4.78 1.10 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 0.00 0.00 39 L 8.50 4.97 0.00 1.43 1.52 0.83 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 40 F 9.11 5.07 0.00 2.43 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.01 5.14 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 0.51 0.00 0.00 0.99 0.00 0.00 42 K 9.42 4.79 0.00 1.47 1.72 0.00 1.60 0.00 0.00 1.47 0.00 0.00 2.23 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.29 1.27 7.81 43 V 8.55 4.67 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.09 0.00 0.00 44 G 9.68 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 0.00 0.00 0.00 0.00 45 D 9.50 4.20 0.00 2.81 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.81 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 0.00 0.00 0.00 47 D 7.42 4.20 0.00 2.61 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.27 5.07 0.00 3.19 2.91 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 0.00 0.00 0.00 49 E 9.67 4.33 0.00 2.09 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 0.00 2.39 2.45 0.00 50 E 8.33 5.30 0.00 2.32 2.35 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 2.52 2.48 0.00 51 V 8.81 4.98 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 0.91 0.00 0.00 0.81 0.00 0.00 52 W 9.91 5.26 0.00 3.15 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 53 G 8.49 4.25 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 0.00 0.00 0.00 54 I 7.99 4.96 1.86 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.88 0.93 0.00 0.00 55 D 8.71 4.96 0.00 2.82 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 56 S 7.57 4.61 0.00 3.85 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.68 4.37 0.00 3.08 2.98 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 0.00 0.00 0.00 58 V 7.30 4.32 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.53 0.00 0.00 59 P 0.00 4.56 0.00 2.25 2.05 0.00 3.58 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.90 0.00 60 Y 7.18 3.94 0.00 2.34 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 61 N 8.55 4.37 0.00 2.71 2.90 0.00 0.00 6.99 7.45 0.00 0.00 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 F 7.13 4.65 0.00 3.08 3.23 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 63 L 7.54 4.58 0.00 1.81 1.72 1.07 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.81 5.17 0.00 2.06 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 2.35 2.42 0.00 65 A 9.38 4.97 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.00 5.24 0.00 3.12 3.14 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 67 R 8.61 3.29 0.00 0.67 1.38 0.00 2.69 0.00 0.00 2.88 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.50 0.00 68 L 8.83 4.59 0.00 1.59 1.68 0.95 1.19 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 69 K 7.41 4.02 0.00 1.70 1.58 0.00 2.01 0.00 0.00 1.94 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.45 7.81 * Residues marked with a * may have inaccurate shift predictions.