NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *8 W 4.5129 8.2749 121.3175 56.2879 29.9212 174.8320 9 H 4.5754 8.5326 119.3721 53.3235 28.4947 173.4259 10 R 4.2550 8.0754 123.9782 54.7621 31.7930 174.9446 11 P 4.5340 0.0000 0.0000 62.5688 32.3098 174.9833 12 D 4.9893 8.1728 117.8858 52.0614 43.9673 175.4828 13 K 4.2844 8.4829 123.5046 56.1897 32.6740 177.3824 14 C 5.0558 8.4815 120.4200 55.1614 43.8456 174.1528 15 C 4.6959 8.7065 120.0764 56.1443 40.3452 173.6568 16 L 4.1406 8.4670 124.3851 54.7042 42.7736 176.7899 17 G 4.1019 7.5660 105.4731 43.7372 0.0000 171.1195 18 Y 5.0378 8.2014 117.4696 55.8195 40.9004 175.2975 19 Q 4.4365 8.7017 125.5286 55.8565 29.4314 176.5665 20 K 4.2526 8.9575 130.1426 58.2884 32.2542 174.5668 21 R 3.9771 7.6247 117.5198 54.4563 30.0562 176.8389 22 P 2.0000 0.0000 0.0000 61.1417 31.7762 175.5948 23 L 4.4638 7.5551 121.4851 52.0876 43.3461 174.7696 24 P 4.2804 0.0000 0.0000 62.4572 31.9465 176.8678 25 Q 3.9660 8.9755 124.8866 59.0135 28.9955 179.0026 26 V 3.7289 7.7431 115.9006 63.9170 31.6692 176.6012 27 L 4.3932 8.2612 119.8190 54.7681 42.0509 175.8825 28 L 5.0371 7.5622 119.0211 53.1420 43.8090 175.8381 29 S 4.7441 8.7818 116.8531 59.9898 64.0084 173.4755 30 S 5.0803 7.7053 111.8862 58.0861 65.9306 174.3685 31 W 5.5135 8.3019 115.5445 55.7993 32.0541 173.2307 32 Y 4.5287 9.0763 121.1729 55.3293 41.9035 172.5376 33 P 4.9839 0.0000 0.0000 62.8492 32.7844 175.3136 34 T 4.6539 7.7945 110.8604 59.7156 71.3596 174.3914 35 S 4.2194 8.4823 116.5635 58.3611 62.8825 175.1760 36 Q 4.0624 8.6235 125.6087 58.4752 28.5849 177.3148 37 L 4.2834 7.7980 116.3273 55.5814 42.0106 176.6662 38 C 4.5727 7.9604 117.0064 56.4539 40.9169 173.7726 39 S 4.2666 8.8169 119.2624 61.3538 62.5415 175.0336 40 K 4.6958 7.6239 117.5375 53.4291 34.1399 174.5253 41 P 4.4063 0.0000 0.0000 63.1255 31.6910 175.3814 42 G 4.2256 7.9950 106.0859 46.3058 0.0000 171.9100 43 V 4.7835 8.4666 111.8049 59.6423 36.6438 174.8872 44 I 4.9847 8.9244 123.3493 59.7221 40.1326 174.6373 45 F 5.3658 9.5776 126.3893 56.0829 41.3826 174.5774 46 L 5.2600 8.9784 125.9715 53.6545 43.5343 176.1547 47 T 4.5785 9.1870 117.4994 61.2049 69.9486 175.8654 48 K 3.9200 8.9355 122.7447 60.0081 32.1013 178.8461 49 R 4.1105 7.9640 113.5057 56.6094 29.7070 176.8984 50 G 3.8337 8.5268 108.7594 46.7534 0.0000 174.6604 51 R 4.6097 8.1071 119.8620 55.4290 32.0032 178.7852 52 Q 5.1662 8.6046 117.9268 55.0737 30.8138 175.2144 53 V 4.5099 9.0295 125.4045 61.3032 33.9941 174.1693 54 C 5.2661 8.9238 124.6447 56.7428 42.4828 172.3621 55 A 5.1077 8.9330 122.8430 50.5661 23.1622 174.6303 56 D 4.3275 8.0944 119.7325 52.3982 42.0166 177.1154 57 K 4.0530 8.4582 123.6996 57.8194 32.6627 177.5524 58 S 4.2184 8.7033 116.2430 60.6571 62.9605 175.5845 59 K 4.1259 7.3323 119.4685 56.0159 33.6168 177.8370 60 D 4.2841 8.6043 123.1145 57.2452 40.8256 179.1075 61 W 4.4268 8.3345 116.7374 59.5190 27.6463 178.3868 62 V 3.1145 6.6860 117.8846 65.4189 31.0855 177.6239 63 K 3.8459 7.3953 117.2464 59.1133 32.1293 178.8837 64 K 4.0718 8.3809 120.2951 59.2059 32.3513 180.3521 65 L 4.3926 7.5647 120.6185 54.4164 41.0897 179.3987 *67 Q 4.3109 8.0358 118.7572 56.2476 30.8808 177.2458 68 Q 4.1477 8.2358 115.5630 58.8092 28.8777 176.9808 69 L 4.7475 8.1389 116.7392 53.4363 42.9797 175.2637 70 P 4.9208 0.0000 0.0000 62.0381 33.5226 175.3083 71 V 3.2514 8.0465 120.4296 61.1342 32.2013 176.1550 72 T 3.8993 9.0074 121.6509 63.3045 68.8707 175.1961 73 A 4.2994 8.5072 132.4772 51.6079 17.4354 178.1634 74 R 4.0884 7.7417 120.2479 55.5831 29.5523 177.5597 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 *8 W 8.27 4.51 0.00 2.53 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 0.00 0.00 0.00 9 H 8.53 4.58 0.00 3.21 3.29 0.00 5.66 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.08 4.26 0.00 1.80 1.86 0.00 3.20 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 11 P 0.00 4.53 0.00 2.18 2.05 0.00 3.70 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 12 D 8.17 4.99 0.00 2.63 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 13 K 8.48 4.28 0.00 1.81 1.76 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.45 7.81 14 C 8.48 5.06 0.00 2.90 2.93 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 0.00 0.00 0.00 15 C 8.71 4.70 0.00 3.01 3.01 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 16 L 8.47 4.14 0.00 1.54 1.63 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.57 4.10 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 0.00 18 Y 8.20 5.04 0.00 3.05 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 19 Q 8.70 4.44 0.00 2.39 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.98 0.00 0.00 0.00 0.00 0.00 2.58 2.72 0.00 20 K 8.96 4.25 0.00 1.82 1.70 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.36 1.00 7.81 21 R 7.62 3.98 0.00 1.82 1.75 0.00 3.25 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 22 P 0.00 2.00 0.00 1.51 1.21 0.00 3.19 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.72 0.00 23 L 7.56 4.46 0.00 1.62 1.54 1.03 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.28 0.00 2.18 2.15 0.00 3.65 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.91 0.00 25 Q 8.98 3.97 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 26 V 7.74 3.73 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 0.77 0.00 0.00 0.93 0.00 0.00 27 L 8.26 4.39 0.00 1.91 1.74 0.91 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.56 5.04 0.00 1.65 1.65 0.52 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.78 4.74 0.00 3.87 4.08 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 30 S 7.71 5.08 0.00 4.15 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 31 W 8.30 5.51 0.00 3.06 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 32 Y 9.08 4.53 0.00 2.82 2.71 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 0.00 0.00 0.00 0.00 33 P 0.00 4.98 0.00 2.05 2.09 0.00 2.20 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 34 T 7.79 4.65 4.28 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 1.32 0.00 0.00 35 S 8.48 4.22 0.00 3.89 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 36 Q 8.62 4.06 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 37 L 7.80 4.28 0.00 1.66 1.71 0.93 0.75 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 C 7.96 4.57 0.00 3.04 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 39 S 8.82 4.27 0.00 3.84 3.94 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 40 K 7.62 4.70 0.00 1.84 1.82 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.51 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.35 1.33 7.81 41 P 0.00 4.41 0.00 2.18 2.07 0.00 3.91 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.99 0.00 42 G 8.00 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 43 V 8.47 4.78 1.94 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 0.70 0.00 0.00 0.40 0.00 0.00 44 I 8.92 4.98 1.95 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 1.28 0.92 1.02 0.00 0.00 45 F 9.58 5.37 0.00 3.15 3.01 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 46 L 8.98 5.26 0.00 1.82 1.64 1.00 0.78 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 T 9.19 4.58 4.39 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 1.34 0.00 0.00 48 K 8.94 3.92 0.00 1.76 1.95 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.62 1.59 7.81 49 R 7.96 4.11 0.00 1.82 1.98 0.00 3.28 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 50 G 8.53 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 51 R 8.11 4.61 0.00 1.50 1.80 0.00 3.22 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.47 0.00 52 Q 8.60 5.17 0.00 1.93 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.67 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 53 V 9.03 4.51 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 1.20 0.00 0.00 1.05 0.00 0.00 54 C 8.92 5.27 0.00 3.03 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 55 A 8.93 5.11 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 56 D 8.09 4.33 0.00 1.58 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 0.00 0.00 0.00 57 K 8.46 4.05 0.00 1.69 1.74 0.00 1.54 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.31 7.81 58 S 8.70 4.22 0.00 3.68 4.06 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 59 K 7.33 4.13 0.00 1.54 1.45 0.00 1.51 0.00 0.00 1.48 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.65 1.62 7.81 60 D 8.60 4.28 0.00 2.76 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 61 W 8.33 4.43 0.00 3.53 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 62 V 6.69 3.11 1.73 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 0.64 0.00 0.00 -0.82 0.00 0.00 63 K 7.40 3.85 0.00 1.81 1.73 0.00 1.81 0.00 0.00 1.54 0.00 0.00 3.09 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.49 7.81 64 K 8.38 4.07 0.00 1.86 1.96 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.58 1.48 7.81 65 L 7.56 4.39 0.00 1.76 1.58 0.74 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 *67 Q 8.04 4.31 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.45 7.06 0.00 0.00 0.00 0.00 0.00 2.22 2.50 0.00 68 Q 8.24 4.15 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 69 L 8.14 4.75 0.00 1.98 1.96 1.14 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 4.92 0.00 2.15 2.24 0.00 3.96 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.02 0.00 71 V 8.05 3.25 1.49 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 0.57 0.00 0.00 0.34 0.00 0.00 72 T 9.01 3.90 4.27 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 1.14 0.00 0.00 73 A 8.51 4.30 1.23 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 74 R 7.74 4.09 0.00 1.84 1.70 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.18 0.00 * Residues marked with a * may have inaccurate shift predictions.