NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 H 4.7213 8.4444 120.4056 55.9683 31.0677 172.2574 6 F 4.5258 8.0489 123.8748 57.0085 41.7958 172.0484 7 F 4.4420 8.4934 129.4368 56.1734 42.9895 173.7777 8 E 3.9043 7.4774 127.4926 55.0279 28.3656 176.5928 9 G 3.7466 8.2846 114.1831 48.1510 0.0000 173.0700 10 T 3.7992 7.8059 116.0914 64.2823 68.7778 173.1939 11 E 4.6323 8.5532 125.0332 54.6764 31.7657 175.1830 12 K 4.5503 8.3025 120.0701 54.6057 33.9374 175.8790 13 L 4.7103 8.3746 124.3539 52.9100 44.6302 175.0558 14 L 4.7166 8.5120 126.8434 53.0271 44.4820 174.8727 15 E 4.5768 8.7573 125.6613 54.2641 32.1755 174.5848 16 V 4.3205 8.2405 124.8687 60.7029 34.3164 174.1205 17 W 4.5704 8.7596 126.6220 55.0146 30.6397 175.6682 18 F 4.8445 8.6347 122.0208 56.3002 40.7339 174.5528 19 S 4.6803 8.2757 114.0664 58.2039 64.9953 175.0354 20 R 4.5485 8.1845 120.5852 54.8976 32.3573 175.3389 *27 Q 4.2513 8.5631 117.6060 54.5826 30.5444 175.9489 28 G 4.1414 7.3918 105.9238 44.9396 0.0000 172.1627 29 S 4.1318 8.2512 114.0050 59.1734 63.2886 175.2421 30 G 3.8789 9.0057 107.5242 45.6752 0.0000 172.4271 31 D 4.6528 7.7574 118.7784 52.4028 44.6306 176.3233 32 L 4.0637 8.6312 126.3372 57.6207 41.9268 178.8305 33 R 4.3819 8.4762 116.2617 57.8781 30.0042 177.7258 34 T 4.0770 7.5847 115.3291 65.8175 68.7650 175.4869 35 I 3.4709 7.3746 122.2556 60.7291 37.5866 174.3300 36 P 4.4040 0.0000 0.0000 62.1588 32.1339 177.3599 37 R 4.2005 8.7752 121.1304 59.8028 29.8704 179.0571 38 S 4.1448 8.0718 113.5607 61.5755 62.8602 176.3008 39 E 3.8833 7.8922 121.8726 58.7643 29.0648 179.2773 40 W 4.5040 7.7617 118.6241 59.8442 29.1772 178.0082 41 D 4.4402 8.4200 118.9514 57.5321 40.0871 179.0905 42 I 3.7204 7.6059 119.8132 64.2467 36.9149 178.1690 43 L 4.0684 7.8337 119.9135 58.3736 42.2577 178.8146 44 L 4.2107 8.5108 119.4391 57.3103 41.4848 179.4742 45 K 4.1584 8.3238 119.3869 59.6751 32.2562 178.0965 46 D 4.6633 7.6179 116.2407 54.1564 39.8661 177.4114 47 V 4.0271 7.6507 118.7850 62.4381 32.2394 174.8727 48 Q 3.7553 9.1203 115.4239 56.9616 25.8045 172.3254 49 C 4.8472 7.7681 110.1585 57.6751 32.9326 172.1862 50 S 4.7290 8.5307 113.2418 56.9695 66.4321 173.3326 51 I 4.6177 8.3755 122.3257 61.3794 36.9829 175.8932 52 I 4.4502 8.5517 119.8215 61.1677 39.4685 175.6614 53 S 4.6593 7.6800 116.0181 57.2426 65.6598 173.2016 54 V 4.6253 8.2700 125.1064 61.3881 34.6665 174.6376 55 T 4.6190 8.6325 122.9806 61.7798 72.4447 172.9434 56 K 5.0470 8.7183 125.1012 54.7918 35.1087 175.2587 57 T 4.6832 8.5564 112.9937 59.3824 72.0990 173.5233 58 D 4.4566 8.7953 120.2066 57.2376 41.1541 177.2746 59 K 4.2853 7.9355 116.3996 58.0166 32.8991 176.2756 60 Q 4.5916 7.9055 114.9363 55.0128 31.5083 172.5017 61 E 5.0209 8.6144 117.5920 54.4685 32.1081 175.3291 62 A 4.8352 9.0096 126.1625 50.2749 21.9565 174.7589 63 Y 5.0035 8.5701 118.2644 56.1377 41.3441 175.1246 64 V 4.3097 8.7677 123.9984 61.5544 33.4675 174.7908 65 L 5.5087 8.3894 126.5332 53.3903 45.2701 175.0871 66 S 4.6357 8.4024 112.9289 57.3744 66.8840 174.7289 67 E 4.1879 8.6158 118.9746 56.8079 29.3703 176.9874 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 4.72 0.00 3.20 3.31 0.00 5.76 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 F 8.05 4.53 0.00 3.12 2.89 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 0.00 0.00 0.00 7 F 8.49 4.44 0.00 2.86 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 7.48 3.90 0.00 1.59 1.71 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 2.47 2.28 0.00 9 G 8.28 3.75 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 0.00 0.00 0.00 10 T 7.81 3.80 4.21 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 0.00 0.00 0.00 1.20 0.00 0.00 11 E 8.55 4.63 0.00 1.94 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 2.50 0.00 12 K 8.30 4.55 0.00 1.72 1.71 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.38 7.81 13 L 8.37 4.71 0.00 1.53 1.50 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.51 4.72 0.00 1.57 1.49 0.93 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 8.76 4.58 0.00 1.94 1.83 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 2.29 2.22 0.00 16 V 8.24 4.32 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 0.06 0.00 0.00 0.88 0.00 0.00 17 W 8.76 4.57 0.00 3.19 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 8.63 4.84 0.00 3.04 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 8.28 4.68 0.00 4.00 3.89 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 0.00 0.00 0.00 20 R 8.18 4.55 0.00 1.83 1.97 0.00 3.34 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 *27 Q 8.56 4.25 0.00 2.01 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.21 0.00 0.00 0.00 0.00 0.00 2.24 2.43 0.00 28 G 7.39 4.14 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 0.00 0.00 0.00 29 S 8.25 4.13 0.00 3.98 3.99 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 0.00 0.00 0.00 30 G 9.01 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 0.00 0.00 0.00 31 D 7.76 4.65 0.00 2.59 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 8.63 4.06 0.00 1.80 1.82 1.00 0.59 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 33 R 8.48 4.38 0.00 1.95 2.17 0.00 3.19 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.65 0.00 34 T 7.58 4.08 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 1.18 0.00 0.00 35 I 7.37 3.47 1.73 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.38 -0.35 0.00 0.00 36 P 0.00 4.40 0.00 2.06 1.92 0.00 3.34 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 2.00 1.99 0.00 37 R 8.78 4.20 0.00 2.09 2.02 0.00 3.45 0.00 0.00 3.64 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.85 0.00 38 S 8.07 4.14 0.00 4.07 4.11 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 0.00 0.00 0.00 39 E 7.89 3.88 0.00 1.65 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 2.14 2.23 0.00 40 W 7.76 4.50 0.00 3.42 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 8.42 4.44 0.00 2.90 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 42 I 7.61 3.72 1.97 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 1.29 0.90 0.00 0.00 43 L 7.83 4.07 0.00 1.80 2.05 1.14 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.51 4.21 0.00 1.78 1.85 0.84 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.32 4.16 0.00 2.00 2.19 0.00 1.31 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.64 1.44 7.81 46 D 7.62 4.66 0.00 2.91 2.83 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 47 V 7.65 4.03 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 0.89 0.00 0.00 1.03 0.00 0.00 48 Q 9.12 3.76 0.00 2.26 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.40 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 49 C 7.77 4.85 0.00 3.30 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 8.53 4.73 0.00 3.91 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 51 I 8.38 4.62 1.96 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.55 1.12 0.00 0.00 52 I 8.55 4.45 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 0.65 0.92 0.00 0.00 53 S 7.68 4.66 0.00 3.88 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 4.63 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 0.36 0.00 0.00 0.92 0.00 0.00 55 T 8.63 4.62 4.14 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 1.15 0.00 0.00 56 K 8.72 5.05 0.00 1.55 1.64 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.35 1.27 7.81 57 T 8.56 4.68 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 8.80 4.46 0.00 2.66 2.74 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 59 K 7.94 4.29 0.00 1.79 1.86 0.00 1.85 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.43 7.81 60 Q 7.91 4.59 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.75 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 61 E 8.61 5.02 0.00 1.87 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.28 0.00 62 A 9.01 4.84 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 8.57 5.00 0.00 2.63 2.78 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 64 V 8.77 4.31 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 0.96 0.00 0.00 0.92 0.00 0.00 65 L 8.39 5.51 0.00 1.54 1.55 0.87 0.82 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 66 S 8.40 4.64 0.00 3.88 3.91 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 67 E 8.62 4.19 0.00 2.01 1.96 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 2.37 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.