NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4146 8.3193 115.2898 58.2890 63.3644 173.6237 2 S 4.0456 8.6752 121.3488 58.4794 63.7099 172.6708 3 N 4.6106 8.3660 122.9150 52.3582 40.1084 175.9588 4 A 4.0068 8.5116 131.2207 55.1152 18.5643 178.7914 5 K 3.8837 8.1013 117.5867 59.7893 32.3607 178.9634 6 I 3.7488 8.2299 120.1081 64.4106 36.9942 178.2097 7 D 4.3540 7.9892 119.4186 57.3450 40.6041 178.5530 8 Q 3.9828 8.2315 120.1130 59.2199 29.0517 178.3782 9 L 3.9932 8.1007 120.0856 57.6610 41.7595 179.3690 10 S 4.0817 8.2121 113.2505 61.2759 62.2740 176.2288 11 S 4.0619 8.1484 115.7486 61.6274 62.2467 175.8153 12 D 4.3380 8.2970 121.4597 57.3448 40.6096 178.7877 13 A 4.0005 8.1883 121.3285 55.1415 18.3968 179.5109 14 Q 3.9294 8.0111 117.7364 59.5907 29.1400 178.5591 15 T 3.8833 8.1998 116.7663 66.4825 68.4844 176.5620 16 A 4.0019 8.1433 122.7900 55.1770 18.5322 179.2425 17 N 4.2749 8.1883 115.1928 56.6812 39.1319 177.0667 18 A 4.0198 8.1080 122.4040 54.9298 18.4726 179.5640 19 K 3.9251 8.2811 118.0689 59.4770 32.1872 178.9949 20 A 4.0207 8.1548 121.2299 55.0780 18.2635 179.3098 21 D 4.2884 8.0143 117.0453 57.6093 40.8973 178.9386 22 Q 3.9781 7.9929 117.8904 59.0603 28.6814 178.9278 23 A 4.0152 8.1295 121.6260 55.1172 18.3915 179.8299 24 S 4.0531 8.2927 113.8036 61.9583 62.9584 176.7056 25 N 4.3666 8.1709 119.0385 56.4921 38.2770 177.3053 26 D 4.3634 8.2114 120.1285 57.1892 40.8858 178.6727 27 A 4.0097 8.2864 121.6339 55.0325 18.4300 179.2171 28 N 4.2178 8.3275 115.4209 56.7702 39.0758 176.9825 29 A 3.9869 8.0818 122.0212 55.1401 18.4366 179.4884 30 A 3.9784 8.1620 119.2861 55.3241 18.4347 180.1397 31 R 3.8755 8.0299 116.7295 59.2897 30.1039 179.2439 32 S 4.0868 8.0191 112.8394 61.5755 62.4682 176.0198 33 D 4.3582 8.2643 121.4008 57.2349 40.5475 178.6312 34 A 4.0201 8.2256 121.5048 55.0462 18.3308 179.5008 35 Q 3.8924 8.2382 117.9876 59.2804 29.1584 178.2823 36 A 3.9837 8.0634 121.6579 55.0934 18.3747 179.4955 37 A 3.9765 8.0731 119.3423 55.1147 18.4076 180.0350 38 K 3.9231 8.0871 117.0656 59.7729 32.1346 179.3065 39 D 4.3612 8.2491 119.1944 57.4402 40.8118 178.4100 40 D 4.3389 8.2682 118.3890 57.1325 41.2995 178.1600 41 A 4.0298 8.1535 121.3430 54.9050 18.3453 179.4844 42 A 3.9778 8.0533 119.5663 55.1450 18.4213 179.7927 43 R 3.8225 7.9869 117.2183 59.4263 30.2379 178.6303 44 A 3.9890 7.8691 120.0705 55.4177 18.4667 179.4821 45 N 4.3628 8.0656 114.4114 56.1975 38.4196 177.5820 46 Q 3.9759 8.2491 121.3642 59.1557 28.9327 178.2792 47 R 3.9480 7.8360 118.1739 59.3323 30.1556 178.7660 48 L 4.1510 7.6784 117.6174 57.7896 41.6799 178.8828 49 D 4.4838 7.9928 118.1036 56.4270 41.7731 177.6480 50 N 4.7373 7.6575 120.4815 53.0548 36.4744 175.6452 *51 M 4.2820 7.6538 122.0143 54.8224 32.2555 177.3516 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 1 S 8.32 4.41 0.00 3.85 4.05 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 2 S 8.68 4.05 0.00 4.10 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 3 N 8.37 4.61 0.00 2.81 2.75 0.00 0.00 6.96 8.18 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 4 A 8.51 4.01 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 5 K 8.10 3.88 0.00 1.88 2.04 0.00 1.61 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.59 7.81 6 I 8.23 3.75 2.01 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 1.52 0.81 0.91 0.00 0.00 7 D 7.99 4.35 0.00 2.84 2.71 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 0.00 0.00 0.00 8 Q 8.23 3.98 0.00 2.12 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.49 2.40 0.00 9 L 8.10 3.99 0.00 1.88 1.70 0.92 0.61 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 10 S 8.21 4.08 0.00 3.96 4.01 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 0.00 0.00 0.00 11 S 8.15 4.06 0.00 3.94 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 12 D 8.30 4.34 0.00 2.72 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.19 4.00 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 14 Q 8.01 3.93 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 15 T 8.20 3.88 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 16 A 8.14 4.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.19 4.27 0.00 2.88 2.96 0.00 0.00 7.11 8.47 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 18 A 8.11 4.02 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.28 3.93 0.00 2.01 1.94 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.33 7.81 20 A 8.15 4.02 1.40 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 0.00 0.00 21 D 8.01 4.29 0.00 2.94 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 22 Q 7.99 3.98 0.00 2.35 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 23 A 8.13 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 24 S 8.29 4.05 0.00 4.04 3.92 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 25 N 8.17 4.37 0.00 2.89 2.86 0.00 0.00 7.11 7.84 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 26 D 8.21 4.36 0.00 2.87 2.71 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 0.00 0.00 0.00 27 A 8.29 4.01 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 28 N 8.33 4.22 0.00 2.78 2.98 0.00 0.00 7.09 7.97 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 29 A 8.08 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.16 3.98 1.40 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 0.00 0.00 31 R 8.03 3.88 0.00 2.04 1.99 0.00 3.13 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 32 S 8.02 4.09 0.00 3.92 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.26 4.36 0.00 2.74 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.23 4.02 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.24 3.89 0.00 2.27 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 36 A 8.06 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.07 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.09 3.92 0.00 2.01 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.63 7.81 39 D 8.25 4.36 0.00 2.83 2.71 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 0.00 0.00 0.00 40 D 8.27 4.34 0.00 2.88 2.66 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 0.00 0.00 0.00 41 A 8.15 4.03 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 42 A 8.05 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 7.99 3.82 0.00 1.91 2.16 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 44 A 7.87 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 4.36 0.00 2.77 2.88 0.00 0.00 6.71 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 46 Q 8.25 3.98 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 47 R 7.84 3.95 0.00 2.01 1.98 0.00 3.22 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.91 0.00 48 L 7.68 4.15 0.00 1.81 1.73 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.99 4.48 0.00 2.85 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 50 N 7.66 4.74 0.00 2.76 2.79 0.00 0.00 6.86 9.00 0.00 0.00 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 M 7.65 4.28 0.00 1.78 2.05 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 * Residues marked with a * may have inaccurate shift predictions.