NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 H 4.8849 8.4444 116.3634 55.4523 29.9465 171.5135 6 F 4.6580 8.4436 119.7242 55.6230 42.2480 173.0524 7 F 4.0300 7.2670 127.6793 56.0191 42.6897 173.5781 8 E 3.9525 7.4413 129.2622 54.6525 28.4195 175.8064 9 G 3.8187 8.3903 116.2031 48.2692 0.0000 172.9503 10 T 3.8236 8.0079 115.9590 64.2709 68.8003 173.2320 11 E 4.5900 8.5677 125.0926 54.8262 31.5081 175.2764 12 K 4.5009 8.3219 120.3673 54.6702 33.7265 175.8742 13 L 4.6774 8.4204 124.8033 52.8794 44.3983 174.9524 14 L 4.7071 8.5179 127.1467 53.0174 44.3061 174.8346 15 E 4.5850 8.7175 125.7109 54.2363 32.2828 174.5922 16 V 4.2999 8.1959 124.7233 60.6920 34.3258 174.1340 17 W 4.4673 8.6718 126.4867 54.8926 30.9338 175.3879 18 F 4.9796 8.6749 121.0907 56.1923 41.1602 174.8142 19 S 4.7385 8.3515 115.9383 57.6038 66.4875 174.8795 20 R 4.2767 8.3199 123.2671 55.1598 31.6019 174.6512 *27 Q 4.1705 8.0828 115.1474 56.4895 29.6871 172.9128 28 G 4.3501 8.1156 107.2101 44.6628 0.0000 172.9610 29 S 4.1022 8.6734 113.2005 59.7432 63.3487 175.3007 30 G 3.8537 9.1094 106.7859 45.3730 0.0000 172.3611 31 D 4.5924 8.0791 119.3285 52.3795 44.1395 176.2521 32 L 4.0910 8.7306 127.0462 57.8054 41.8724 179.2394 33 R 4.4766 8.2034 116.3625 58.4407 30.0606 177.9306 34 T 4.0379 7.7281 114.5443 65.7959 68.6849 175.1725 35 I 3.4545 7.4913 122.7242 60.6046 37.4021 174.3232 36 P 4.3802 0.0000 0.0000 62.2142 32.1998 177.2366 37 R 4.2061 8.8958 121.4239 60.0118 30.0258 179.1151 38 S 4.3997 8.0552 113.0584 61.1760 62.9936 176.1208 39 E 3.9396 7.8967 122.6173 58.9039 29.2019 179.0248 40 W 4.4619 7.7927 118.5840 59.8299 28.9249 178.1487 41 D 4.4698 8.0506 118.2479 57.3193 40.3770 178.6823 42 I 3.8809 7.6279 120.0116 64.1457 37.2233 178.1304 43 L 3.9746 8.0198 121.1075 58.3764 41.9205 179.1386 44 L 4.1071 8.4438 118.8932 57.2819 41.5609 179.4319 45 K 3.9805 7.7742 120.2306 59.5740 31.8935 178.5511 46 D 4.4320 7.9348 118.1734 56.9092 40.8036 178.2318 47 V 3.7381 7.3532 117.3185 62.9561 32.4017 175.0751 48 Q 3.5340 8.5024 115.4012 56.4265 25.6625 171.4593 49 C 4.7046 7.5292 110.4035 58.1985 32.6039 172.5562 50 S 4.6461 8.6833 112.7534 57.0742 66.1930 174.5163 51 I 4.2969 8.5502 122.2268 62.4393 36.6832 175.7896 52 I 4.5368 8.8352 119.8560 60.8757 39.5584 175.5097 53 S 4.6868 7.7288 116.0228 57.2869 65.7545 173.0566 54 V 4.6024 8.1617 124.1780 61.4537 34.6747 174.7156 55 T 4.4549 8.5933 123.3441 62.0029 72.2738 172.7436 56 K 4.8999 8.6729 126.5525 54.7748 32.8079 176.2534 57 T 4.5467 8.6479 115.1401 59.1528 71.4799 174.5350 58 D 4.5234 8.7247 120.4438 56.9075 41.0367 177.1074 59 K 4.4232 7.2830 114.0475 57.0316 33.4222 176.0174 60 Q 4.5858 7.7077 115.2911 55.0909 31.4315 172.4222 61 E 5.0140 8.6398 118.0510 54.5219 31.7606 175.2852 62 A 4.8512 8.6135 125.9645 50.2874 21.9370 174.6929 63 Y 5.1082 8.6316 118.1434 56.1305 42.0379 174.9127 64 V 4.4513 8.5162 122.2762 61.2194 33.9129 174.5286 65 L 5.4114 8.5975 126.6987 53.1284 44.9187 175.2625 66 S 4.8371 9.2026 115.4510 56.5653 67.0222 174.2138 67 E 4.2673 8.6283 118.1517 56.6089 29.4913 176.4402 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 5 H 8.44 4.88 0.00 3.36 3.46 0.00 5.44 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 F 8.44 4.66 0.00 2.99 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 7 F 7.27 4.03 0.00 2.72 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 8 E 7.44 3.95 0.00 1.95 1.56 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 2.24 2.29 0.00 9 G 8.39 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 10 T 8.01 3.82 4.31 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 1.22 0.00 0.00 11 E 8.57 4.59 0.00 1.93 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 2.26 2.52 0.00 12 K 8.32 4.50 0.00 1.73 1.73 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.39 7.81 13 L 8.42 4.68 0.00 1.53 1.51 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.52 4.71 0.00 1.57 1.49 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.72 4.58 0.00 1.93 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 2.31 2.22 0.00 16 V 8.20 4.30 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 0.06 0.00 0.00 0.87 0.00 0.00 17 W 8.67 4.47 0.00 3.23 3.16 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 18 F 8.67 4.98 0.00 3.06 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 19 S 8.35 4.74 0.00 3.90 3.78 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 20 R 8.32 4.28 0.00 1.84 1.92 0.00 3.26 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 *27 Q 8.08 4.17 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 2.22 2.43 0.00 28 G 8.12 4.35 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 0.00 29 S 8.67 4.10 0.00 3.98 3.98 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 30 G 9.11 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 4.59 0.00 2.66 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 8.73 4.09 0.00 1.83 1.90 1.09 0.76 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 33 R 8.20 4.48 0.00 2.02 2.07 0.00 3.20 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.67 0.00 34 T 7.73 4.04 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 1.18 0.00 0.00 35 I 7.49 3.45 1.56 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.43 -0.54 0.00 0.00 36 P 0.00 4.38 0.00 2.06 1.92 0.00 3.36 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 37 R 8.90 4.21 0.00 2.09 2.03 0.00 3.44 0.00 0.00 3.63 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.99 0.00 38 S 8.06 4.40 0.00 4.09 4.12 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 0.00 0.00 0.00 0.00 39 E 7.90 3.94 0.00 1.77 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.25 0.00 40 W 7.79 4.46 0.00 3.43 2.90 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 0.00 0.00 0.00 41 D 8.05 4.47 0.00 2.90 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.63 3.88 1.99 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 1.40 1.31 0.90 0.00 0.00 43 L 8.02 3.97 0.00 1.77 2.05 1.13 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.44 4.11 0.00 1.74 1.72 0.85 0.46 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 45 K 7.77 3.98 0.00 2.01 1.91 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.49 7.81 46 D 7.93 4.43 0.00 2.90 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 47 V 7.35 3.74 2.22 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 0.83 0.00 0.00 0.95 0.00 0.00 48 Q 8.50 3.53 0.00 2.31 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.42 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 49 C 7.53 4.70 0.00 3.26 2.90 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 0.00 0.00 0.00 50 S 8.68 4.65 0.00 3.88 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 51 I 8.55 4.30 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.53 1.13 0.00 0.00 52 I 8.84 4.54 1.88 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 0.68 0.92 0.00 0.00 53 S 7.73 4.69 0.00 3.88 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 54 V 8.16 4.60 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 0.34 0.00 0.00 0.97 0.00 0.00 55 T 8.59 4.45 4.13 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 1.15 0.00 0.00 56 K 8.67 4.90 0.00 1.57 1.68 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.22 1.27 7.81 57 T 8.65 4.55 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 1.18 0.00 0.00 58 D 8.72 4.52 0.00 2.64 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 59 K 7.28 4.42 0.00 1.75 1.85 0.00 1.82 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.36 7.81 60 Q 7.71 4.59 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 61 E 8.64 5.01 0.00 1.96 1.63 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 2.20 2.32 0.00 62 A 8.61 4.85 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 63 Y 8.63 5.11 0.00 2.62 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.52 4.45 2.09 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 1.05 0.00 0.00 0.92 0.00 0.00 65 L 8.60 5.41 0.00 1.54 1.63 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 66 S 9.20 4.84 0.00 3.80 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 67 E 8.63 4.27 0.00 2.09 1.97 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 2.33 2.45 0.00 * Residues marked with a * may have inaccurate shift predictions.