NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.5474 8.3193 116.8145 57.9142 64.9944 174.1591 5 L 4.4088 7.9665 117.9971 53.6681 41.7684 175.3471 6 S 4.5470 8.4550 113.1166 59.1374 65.5908 174.8646 7 Y 4.6570 7.9420 120.9173 55.6944 39.8474 174.3049 8 R 4.3748 7.1997 121.2803 54.1331 31.3444 175.3329 9 C 4.2408 8.2239 116.5222 56.3859 40.6486 173.4058 10 P 3.8790 0.0000 0.0000 64.4480 31.4215 176.7008 11 C 4.6840 7.2671 116.5796 55.1834 41.3556 173.7004 12 R 3.8883 8.3808 125.5785 58.2967 30.1950 175.4718 13 F 4.5659 7.0819 109.8520 55.9569 40.3511 172.6479 14 F 5.1737 8.4460 119.5234 55.8883 40.7458 175.5355 15 E 4.6222 9.2296 125.0308 55.7166 29.7166 177.0887 16 S 4.7104 8.8542 119.3582 59.0642 63.7296 174.4306 17 H 4.8117 8.1162 116.2650 55.3927 29.0821 175.1422 18 V 3.9048 7.8571 113.5242 61.1001 32.3051 175.3546 19 A 4.6322 8.2543 126.2490 50.1897 21.1254 177.8645 20 R 2.5100 7.4361 120.7884 58.7170 30.0225 178.6815 21 A 3.8974 7.5897 119.0374 54.8903 18.5002 177.7499 22 N 4.5688 8.1286 112.1384 54.0631 39.2179 175.0097 23 V 4.5391 7.2622 112.3916 59.7556 33.0469 175.6693 24 K 4.3308 9.2874 126.5120 58.6651 33.2162 176.1754 25 H 4.9297 7.8762 117.1925 54.9672 33.2049 172.3764 26 L 5.2256 8.1983 123.6137 52.9453 45.2874 176.1302 27 K 4.4166 8.9475 123.9574 55.0447 35.6115 175.1406 28 I 4.3267 8.4517 129.2246 61.3988 37.7448 175.4417 29 L 4.6327 8.5144 127.8037 53.2178 43.0177 176.3830 30 N 4.4773 8.7730 121.4818 52.9017 37.3586 175.4824 31 T 4.4618 8.1404 121.4177 61.7398 70.7181 171.8116 32 P 4.4129 0.0000 0.0000 63.5861 31.9199 176.1622 33 N 4.3486 8.9434 116.3720 54.3148 36.1621 174.7187 34 C 5.0428 7.7029 112.1793 54.6382 43.9041 173.8153 35 A 4.3160 8.3911 124.7712 51.4557 18.7894 177.4415 36 L 4.0981 8.3391 119.2464 55.7478 42.2231 177.3339 37 Q 4.6492 8.5140 120.4008 54.2827 33.3187 173.7451 38 I 4.8116 8.2605 123.7888 59.4686 40.3726 174.3982 39 V 4.8128 8.8655 127.2828 61.2462 33.7491 174.3051 40 A 5.2692 9.2326 128.7417 50.1403 22.5715 174.6541 41 R 4.9003 8.7690 122.0652 54.8260 31.9636 175.7562 42 L 4.4723 8.9853 127.4119 54.5130 42.5799 177.2208 43 K 3.7757 9.1109 124.9407 59.6693 31.0909 177.4819 44 N 4.6599 8.1863 117.0514 54.0931 39.5334 175.8062 45 N 4.5786 8.0764 112.9870 51.8886 38.3609 174.7524 46 N 4.3140 8.0679 115.5263 54.4076 38.3476 173.9339 47 R 4.2001 8.4835 115.8548 56.0043 31.5492 175.1904 48 Q 5.0123 8.5421 123.2834 54.8546 30.4094 175.0499 49 V 4.5757 9.0607 119.3605 59.6713 36.4869 173.9556 50 C 5.2211 8.5813 120.8494 56.2348 41.4870 172.6364 51 I 5.1035 8.2181 117.6360 58.5348 40.2758 175.0292 52 D 3.7923 8.3175 124.2308 53.9173 41.2890 175.6160 53 P 3.9977 0.0000 0.0000 65.1750 31.5057 177.6447 54 K 4.0656 7.8421 115.5706 57.4540 32.4969 177.7962 55 L 3.9540 7.3802 120.9040 54.1699 42.8476 177.7287 56 K 3.8731 8.7108 123.9864 60.1180 32.4989 179.3499 57 W 4.4277 8.1147 117.4468 59.0433 28.0195 178.2626 58 I 3.3618 6.6826 120.2234 64.0535 36.5336 178.1115 59 Q 3.9408 8.0294 121.2276 59.7716 28.4060 179.3842 60 E 4.2903 8.6354 120.3840 61.7412 29.7931 181.0212 *61 Y 4.4292 7.6340 119.0436 62.1076 36.8804 182.0655 62 L 4.2999 8.0700 121.1764 56.8844 41.9324 178.8204 63 E 4.0887 8.7007 118.1869 58.4722 29.8979 177.9268 64 K 4.2272 7.5662 120.4491 54.8933 31.6565 182.2440 *65 A 4.1801 7.4675 128.2522 53.4509 18.7909 177.4010 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 4 S 8.32 4.55 0.00 3.92 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 5 L 7.97 4.41 0.00 1.82 1.78 0.93 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.46 4.55 0.00 4.02 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 7 Y 7.94 4.66 0.00 2.90 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 8 R 7.20 4.37 0.00 1.73 1.68 0.00 3.02 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.47 0.00 9 C 8.22 4.24 0.00 2.89 2.97 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 10 P 0.00 3.88 0.00 2.15 2.15 0.00 3.87 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 11 C 7.27 4.68 0.00 2.89 2.85 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 12 R 8.38 3.89 0.00 1.73 2.04 0.00 3.30 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 13 F 7.08 4.57 0.00 3.09 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 F 8.45 5.17 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 15 E 9.23 4.62 0.00 2.07 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 2.29 2.42 0.00 16 S 8.85 4.71 0.00 3.97 3.95 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 0.00 0.00 0.00 0.00 17 H 8.12 4.81 0.00 3.18 3.38 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.86 3.90 2.26 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 0.79 0.00 0.00 1.22 0.00 0.00 19 A 8.25 4.63 1.16 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 0.00 0.00 20 R 7.44 2.51 0.00 0.67 1.23 0.00 3.08 0.00 0.00 3.12 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.84 0.00 21 A 7.59 3.90 1.18 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 0.00 0.00 22 N 8.13 4.57 0.00 2.89 2.86 0.00 0.00 6.78 7.79 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 23 V 7.26 4.54 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 0.85 0.00 0.00 0.98 0.00 0.00 24 K 9.29 4.33 0.00 1.74 2.00 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.39 7.81 25 H 7.88 4.93 0.00 3.21 3.10 0.00 5.66 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.20 5.23 0.00 1.48 1.47 1.05 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.95 4.42 0.00 1.74 1.61 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.45 7.81 28 I 8.45 4.33 1.85 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 1.29 0.60 0.90 0.00 0.00 29 L 8.51 4.63 0.00 1.55 1.62 0.94 0.92 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 30 N 8.77 4.48 0.00 2.82 2.87 0.00 0.00 5.97 7.71 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 31 T 8.14 4.46 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 1.38 0.00 0.00 32 P 0.00 4.41 0.00 1.91 1.94 0.00 3.85 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.07 0.00 33 N 8.94 4.35 0.00 3.03 2.97 0.00 0.00 6.74 7.66 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 34 C 7.70 5.04 0.00 3.17 2.97 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 35 A 8.39 4.32 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 36 L 8.34 4.10 0.00 1.62 1.58 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 8.51 4.65 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.85 0.00 0.00 0.00 0.00 0.00 2.68 2.76 0.00 38 I 8.26 4.81 1.67 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.58 0.81 0.00 0.00 39 V 8.87 4.81 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 1.04 0.00 0.00 0.94 0.00 0.00 40 A 9.23 5.27 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 41 R 8.77 4.90 0.00 1.96 1.86 0.00 3.10 0.00 0.00 3.41 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 42 L 8.99 4.47 0.00 1.81 1.58 0.95 0.32 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 43 K 9.11 3.78 0.00 1.80 1.80 0.00 1.89 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.44 7.81 44 N 8.19 4.66 0.00 2.73 2.85 0.00 0.00 6.81 8.00 0.00 0.00 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 N 8.08 4.58 0.00 2.81 2.93 0.00 0.00 5.97 8.04 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 46 N 8.07 4.31 0.00 2.88 2.92 0.00 0.00 7.18 7.36 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 47 R 8.48 4.20 0.00 1.89 1.84 0.00 3.17 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 48 Q 8.54 5.01 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 49 V 9.06 4.58 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 0.67 0.00 0.00 0.97 0.00 0.00 50 C 8.58 5.22 0.00 2.93 3.25 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 51 I 8.22 5.10 1.80 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.47 0.97 0.00 0.00 52 D 8.32 3.79 0.00 2.82 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 53 P 0.00 4.00 0.00 1.82 1.85 0.00 2.85 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 54 K 7.84 4.07 0.00 1.99 1.80 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.39 7.81 55 L 7.38 3.95 0.00 1.23 0.97 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.71 3.87 0.00 2.09 2.09 0.00 1.62 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.49 1.08 7.81 57 W 8.11 4.43 0.00 3.64 3.35 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 58 I 6.68 3.36 1.69 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.25 0.65 0.00 0.00 59 Q 8.03 3.94 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 60 E 8.64 4.29 0.00 2.01 1.89 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 2.27 2.21 0.00 *61 Y 7.63 4.43 0.00 2.33 2.32 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 62 L 8.07 4.30 0.00 1.65 1.70 0.82 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.70 4.09 0.00 2.01 2.13 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 2.48 2.25 0.00 64 K 7.57 4.23 0.00 1.78 1.71 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.25 7.81 *65 A 7.47 4.18 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.