NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 A 5.0126 8.0700 122.9767 52.4857 20.8752 178.8757 6 L 3.6565 7.9763 115.9301 57.4547 42.5470 176.8532 7 Q 4.0075 7.7151 119.3131 59.1153 29.6531 176.7454 8 D 4.3350 8.0409 119.9918 56.4621 39.0971 178.4157 9 L 3.6388 7.1200 120.5837 58.4684 40.0196 179.4021 10 L 3.8899 7.5866 119.6112 57.6453 41.3737 179.8120 11 R 3.8849 7.7250 116.1699 59.2158 30.1282 178.6315 12 T 4.0329 7.9486 112.4746 65.0814 67.5345 176.3589 13 L 4.0770 8.2294 119.9614 56.8662 41.8682 179.3208 14 K 3.7724 8.5576 114.8334 57.2014 32.7811 176.1472 15 S 4.6712 7.8474 115.9848 57.0861 64.3232 171.7800 16 P 4.7679 0.0000 0.0000 62.5612 31.8694 177.0818 17 S 4.3301 8.0404 120.7201 59.6509 68.9581 176.6796 18 S 3.7208 8.1838 111.5278 58.3006 59.4220 168.7966 19 P 4.5485 0.0000 0.0000 62.2992 32.4229 177.5788 20 Q 3.9831 8.6730 123.0477 56.1174 28.9835 178.5231 *25 V 4.2390 7.9440 119.0332 61.7402 33.5480 177.4092 26 L 4.0545 7.8986 119.7853 57.3103 41.0509 178.8904 27 N 4.2944 8.1712 115.6389 56.6898 38.7770 176.8891 28 I 3.9291 7.7356 120.3829 64.1168 37.1585 178.1796 29 L 3.8934 7.7075 120.4227 57.6820 41.2666 179.5693 30 K 3.9327 8.4661 117.7992 59.8175 32.2080 178.9567 31 S 4.0566 7.7581 114.0406 61.8478 62.8283 174.0300 32 N 4.5805 8.1634 119.2949 52.9194 39.2172 174.6042 33 P 4.2184 0.0000 0.0000 65.7294 31.7761 177.3954 34 Q 4.1447 7.6043 118.1798 58.0289 29.8115 177.9815 35 L 3.9712 7.7601 118.6528 57.2744 41.8862 179.3969 36 M 3.5814 7.7447 117.7258 57.9194 31.5982 178.7107 37 A 3.8450 7.1886 119.3238 55.0634 18.7351 179.3318 38 A 4.0243 7.4131 117.4610 55.0546 18.9646 179.5815 39 F 4.4077 8.0647 113.0548 60.1453 38.4126 177.8798 40 I 3.9387 6.6598 113.9707 63.3695 36.8505 177.9028 41 K 2.7656 7.0796 120.6004 57.6434 31.6917 177.6103 42 Q 4.6732 7.9099 117.7998 55.2464 29.1901 176.3578 43 R 4.6970 8.1287 112.8612 55.6333 31.2546 175.2036 44 T 4.3508 7.8166 110.1508 60.8598 68.9539 173.8558 45 A 4.1353 8.7749 127.4637 53.1833 16.8833 178.6031 46 K 4.0349 7.5945 111.3946 56.4881 32.8475 176.0887 47 Y 4.0475 6.7761 116.4129 58.0020 37.7747 175.8712 48 V 4.2685 8.4950 123.0392 61.1566 33.7430 175.5544 49 A 4.7192 8.2309 131.1616 50.9587 18.8830 175.1543 50 N 4.5405 7.9557 122.1125 53.0640 38.6911 176.0359 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 A 8.07 5.01 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 6 L 7.98 3.66 0.00 1.73 1.67 0.91 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 7.72 4.01 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.60 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 8 D 8.04 4.34 0.00 2.85 2.87 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 0.00 0.00 0.00 9 L 7.12 3.64 0.00 0.86 0.22 0.79 0.05 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 10 L 7.59 3.89 0.00 1.87 1.70 0.88 0.88 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 11 R 7.72 3.88 0.00 1.71 1.96 0.00 3.21 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 12 T 7.95 4.03 4.26 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 1.27 0.00 0.00 13 L 8.23 4.08 0.00 1.74 1.73 1.02 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.56 3.77 0.00 1.84 1.68 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.52 7.81 15 S 7.85 4.67 0.00 3.79 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.77 0.00 2.17 2.14 0.00 3.56 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.16 0.00 17 S 8.04 4.33 0.00 3.83 3.88 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 18 S 8.18 3.72 0.00 4.01 3.96 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 19 P 0.00 4.55 0.00 2.22 2.04 0.00 3.85 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 1.99 2.16 0.00 20 Q 8.67 3.98 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 *25 V 7.94 4.24 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 0.93 0.00 0.00 1.16 0.00 0.00 26 L 7.90 4.05 0.00 1.74 1.79 0.95 0.78 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 27 N 8.17 4.29 0.00 2.69 2.91 0.00 0.00 6.96 7.46 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 28 I 7.74 3.93 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.65 0.93 0.00 0.00 29 L 7.71 3.89 0.00 1.75 1.67 0.86 0.47 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 30 K 8.47 3.93 0.00 1.85 2.04 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.51 7.81 31 S 7.76 4.06 0.00 3.84 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 32 N 8.16 4.58 0.00 2.74 3.21 0.00 0.00 7.06 8.84 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 33 P 0.00 4.22 0.00 2.20 2.13 0.00 3.76 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 34 Q 7.60 4.14 0.00 2.27 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.25 6.99 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 35 L 7.76 3.97 0.00 1.68 1.84 1.13 1.02 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 36 M 7.74 3.58 0.00 1.89 2.09 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.35 0.00 37 A 7.19 3.85 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 38 A 7.41 4.02 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 39 F 8.06 4.41 0.00 3.19 3.29 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 40 I 6.66 3.94 1.86 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 1.30 0.47 0.30 0.00 0.00 41 K 7.08 2.77 0.00 1.51 1.27 0.00 1.42 0.00 0.00 1.65 0.00 0.00 2.56 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.41 1.55 7.81 42 Q 7.91 4.67 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.74 0.00 0.00 0.00 0.00 0.00 2.14 2.34 0.00 43 R 8.13 4.70 0.00 1.90 2.04 0.00 3.35 0.00 0.00 3.30 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.11 0.00 44 T 7.82 4.35 4.36 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 0.00 0.00 0.00 1.56 0.00 0.00 45 A 8.77 4.14 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.59 4.03 0.00 1.73 1.77 0.00 1.50 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.55 7.81 47 Y 6.78 4.05 0.00 3.05 3.29 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 48 V 8.49 4.27 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 0.93 0.00 0.00 0.99 0.00 0.00 49 A 8.23 4.72 1.19 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 0.00 0.00 50 N 7.96 4.54 0.00 2.71 2.74 0.00 0.00 7.07 7.57 0.00 0.00 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.