NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 L 4.4943 8.0433 121.1329 55.8068 42.1615 176.5355 18 L 3.7457 7.7773 121.4887 52.2547 42.9103 175.4228 19 C 4.1242 9.9397 123.4793 59.9439 32.7710 174.8227 20 K 3.6835 8.3995 126.6363 59.4383 31.6613 177.7084 21 K 4.2729 8.2066 116.8173 56.4209 32.3585 176.9237 22 G 3.9370 8.3096 105.8757 47.1693 0.0000 174.4487 23 C 4.3009 8.1553 113.2276 58.6054 30.1749 174.4829 24 G 3.7818 8.3581 109.0154 45.1988 0.0000 172.9630 25 Y 4.3279 7.6839 117.2672 57.1915 40.3201 173.7414 26 Y 4.6241 8.8095 117.8046 57.3596 39.5284 176.0408 27 G 4.0958 8.6316 110.4396 46.0696 0.0000 172.2158 28 N 4.9549 9.1241 120.6482 50.5759 40.7422 173.8562 29 P 4.0921 0.0000 0.0000 65.8709 31.2503 177.6204 30 A 4.0937 8.0232 119.6516 52.9110 18.7270 177.6172 31 W 3.5872 7.7723 116.3000 55.5461 29.5216 175.7925 32 Q 3.6478 8.3730 116.7518 57.3448 27.4098 174.3911 33 G 3.8129 8.2730 101.7928 45.1810 0.0000 173.7473 34 F 5.0129 7.8624 118.1808 56.0334 40.5124 175.7112 35 C 5.2570 8.9287 120.6820 57.0784 32.1420 174.8004 36 S 3.3614 8.7793 115.0136 61.2793 62.3508 176.4035 37 K 3.7996 7.8569 122.8029 59.4444 32.1622 178.5745 38 C 4.1943 8.1254 116.4225 62.2824 27.9528 175.7949 39 W 4.2783 8.5682 130.5531 60.4077 30.4333 177.9440 40 R 3.4710 7.5692 117.8720 59.3684 29.6641 178.8723 41 E 3.8276 7.6771 117.4881 59.5183 29.4438 179.4048 42 E 3.7611 7.7017 118.5763 59.1442 29.2797 178.7491 43 Y 3.5288 7.3650 119.8767 60.6380 38.6941 177.5966 44 H 3.8504 7.7901 118.6551 59.2018 30.0325 177.4544 45 K 3.8500 7.7889 119.6587 59.3066 31.8069 179.2955 46 A 3.9360 8.2044 121.5217 54.9757 18.1310 179.9325 47 R 3.7242 7.7880 116.8144 59.4866 30.1901 179.1491 48 Q 3.8452 7.8729 117.8086 58.8247 28.6791 179.1408 49 K 3.8839 7.8588 120.3505 59.4673 32.2276 178.5943 50 Q 3.9654 8.1626 120.0147 59.3055 28.9161 178.4784 51 I 3.6848 7.9993 121.0243 64.3268 37.1612 178.1574 52 Q 4.0051 7.9582 120.1542 59.4391 28.8525 178.2946 53 E 4.0918 8.3429 119.5447 59.4019 29.3727 179.0799 54 D 4.3479 8.4592 119.3106 56.9255 40.8351 178.4941 55 W 4.1056 8.3417 128.8285 60.5358 30.8119 177.5613 56 E 3.6718 8.5076 118.4390 59.4458 28.9992 179.3218 57 L 3.8252 8.1480 119.9557 58.0633 42.1960 178.5271 58 A 3.9135 8.4340 121.2787 55.3086 18.2040 179.4788 59 E 3.5517 7.7302 116.7023 59.5741 29.4890 179.6727 60 R 3.8221 7.6221 118.4680 59.2274 30.0095 178.2931 61 L 3.9697 8.3719 120.7268 57.8413 41.9457 178.7347 62 Q 3.8872 7.9161 119.7106 59.2257 28.9568 178.5381 63 R 3.8833 7.9365 119.1017 59.1710 29.9200 178.5561 64 E 3.9450 8.5494 119.5688 59.3776 29.2366 178.7971 65 E 3.9478 8.5971 119.1336 59.1936 29.2631 178.8554 66 E 4.0138 8.1927 118.9311 58.9958 29.7741 178.5529 67 E 4.0986 8.6535 119.1130 59.4119 29.3774 178.9530 68 A 4.0585 7.5218 119.2004 54.6847 18.5086 178.4750 69 F 4.9791 7.8025 115.4392 57.8088 40.0590 175.4464 70 A 4.2145 7.5628 123.2880 52.5353 19.9189 178.3282 *71 S 4.2783 8.3598 114.3578 58.6174 63.0634 171.3110 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 17 L 8.04 4.49 0.00 1.96 1.95 0.90 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.78 3.75 0.00 1.60 1.46 0.76 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 19 C 9.94 4.12 0.00 3.11 2.96 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 20 K 8.40 3.68 0.00 0.92 1.57 0.00 1.62 0.00 0.00 1.49 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.21 0.99 7.81 21 K 8.21 4.27 0.00 2.22 2.04 0.00 1.95 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.53 1.63 7.81 22 G 8.31 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 0.00 0.00 0.00 23 C 8.16 4.30 0.00 3.25 3.18 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 0.00 0.00 0.00 24 G 8.36 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 0.00 0.00 0.00 25 Y 7.68 4.33 0.00 3.03 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 26 Y 8.81 4.62 0.00 2.96 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 27 G 8.63 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 28 N 9.12 4.95 0.00 2.33 2.16 0.00 0.00 7.20 7.55 0.00 0.00 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 P 0.00 4.09 0.00 2.12 2.22 0.00 3.54 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.87 0.00 30 A 8.02 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 W 7.77 3.59 0.00 3.39 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 0.00 0.00 0.00 0.00 32 Q 8.37 3.65 0.00 2.25 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.96 0.00 0.00 0.00 0.00 0.00 2.49 2.39 0.00 33 G 8.27 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 34 F 7.86 5.01 0.00 3.64 3.28 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 35 C 8.93 5.26 0.00 3.39 3.40 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 36 S 8.78 3.36 0.00 3.75 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 37 K 7.86 3.80 0.00 1.74 1.76 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.45 7.81 38 C 8.13 4.19 0.00 3.28 3.19 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 39 W 8.57 4.28 0.00 3.50 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 40 R 7.57 3.47 0.00 1.99 1.80 0.00 3.05 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.63 0.00 41 E 7.68 3.83 0.00 2.01 1.86 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 2.24 2.24 0.00 42 E 7.70 3.76 0.00 1.37 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.47 0.00 43 Y 7.37 3.53 0.00 1.53 2.50 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 44 H 7.79 3.85 0.00 3.24 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.79 3.85 0.00 1.90 1.76 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.57 7.81 46 A 8.20 3.94 1.25 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 47 R 7.79 3.72 0.00 1.70 1.71 0.00 2.60 0.00 0.00 2.94 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.94 0.00 48 Q 7.87 3.85 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.82 0.00 0.00 0.00 0.00 0.00 2.23 2.20 0.00 49 K 7.86 3.88 0.00 1.89 1.90 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.60 1.42 7.81 50 Q 8.16 3.97 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 51 I 8.00 3.68 1.94 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 1.50 0.87 0.89 0.00 0.00 52 Q 7.96 4.01 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 53 E 8.34 4.09 0.00 2.22 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 2.36 2.46 0.00 54 D 8.46 4.35 0.00 2.94 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.34 4.11 0.00 3.50 3.45 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 0.00 0.00 0.00 0.00 56 E 8.51 3.67 0.00 2.32 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 2.48 2.73 0.00 57 L 8.15 3.83 0.00 1.71 1.77 0.88 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.43 3.91 1.26 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 0.00 0.00 59 E 7.73 3.55 0.00 1.58 1.60 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 1.47 1.47 0.00 60 R 7.62 3.82 0.00 1.80 1.96 0.00 3.06 0.00 0.00 3.06 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 61 L 8.37 3.97 0.00 1.97 1.57 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 7.92 3.89 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.60 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 63 R 7.94 3.88 0.00 1.86 1.92 0.00 3.15 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 64 E 8.55 3.94 0.00 1.96 2.10 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 2.28 2.34 0.00 65 E 8.60 3.95 0.00 2.20 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 66 E 8.19 4.01 0.00 2.15 2.11 0.00 0.00 0.00 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 2.41 0.00 67 E 8.65 4.10 0.00 2.10 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 2.55 2.46 0.00 68 A 7.52 4.06 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 7.80 4.98 0.00 2.88 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 70 A 7.56 4.21 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 *71 S 8.36 4.28 0.00 3.61 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.