NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3046 8.1749 110.9396 61.6347 69.9561 173.7207 1A S 4.4325 8.3194 120.3304 54.3940 63.6966 172.1428 2 P 4.5923 0.0000 0.0000 62.2145 34.4512 175.8490 3 Q 4.4187 8.8258 111.6820 55.7209 25.9713 172.2268 4 R 4.5457 7.6499 122.9828 55.3515 32.5854 173.4152 5 E 4.2974 8.1832 125.8450 55.7145 30.3151 176.3113 6 A 4.2675 8.2473 124.3165 52.2439 18.7756 177.9482 7 T 4.1366 8.5839 119.6794 60.7534 66.0993 170.9124 8 C 4.6621 8.1866 122.5009 53.7033 42.7052 173.5361 *10 T 4.3878 7.9740 122.0805 63.4895 68.5660 172.7723 11 S 4.6765 7.7626 116.6493 56.7302 64.2338 173.5255 12 E 4.3903 8.7038 125.3091 56.5580 29.7214 176.3058 13 V 4.4837 7.3782 111.7996 59.7907 34.6574 175.5002 14 S 4.6465 8.2867 117.0667 57.4152 62.6225 173.7161 15 G 4.1548 7.3906 106.6236 45.2286 0.0000 172.9306 16 C 5.0940 8.3144 116.5704 53.7060 43.1860 172.7505 17 P 4.5186 0.0000 0.0000 63.2196 31.5205 176.3037 18 K 4.4777 8.2867 118.9795 56.3882 32.4393 176.7362 19 I 4.1197 7.5296 118.0609 60.1946 39.1939 174.5532 20 Y 4.7040 8.3877 128.1755 56.6135 38.1762 174.2657 21 N 4.8814 8.6805 127.5449 50.5159 38.8627 171.4528 22 P 4.8725 0.0000 0.0000 62.8450 33.3700 176.8534 23 V 4.8040 8.7403 113.8259 59.9113 36.4242 173.8809 24 C 4.8156 9.4535 126.0288 55.2216 44.3412 173.1468 25 G 4.4378 9.1977 115.1492 46.5309 0.0000 173.8798 26 T 4.0843 8.7741 112.9997 63.6219 68.9165 175.3031 27 D 4.3965 8.0786 120.8217 54.6304 39.8568 177.1934 28 G 3.9570 8.4820 108.5644 44.9949 0.0000 172.9857 29 I 4.1707 7.9128 121.1530 60.2214 39.0250 175.1056 30 T 4.6122 8.2202 123.3499 63.1421 69.2760 173.6541 31 Y 4.5830 8.8763 125.9228 56.3104 39.1758 177.4319 32 S 4.2240 9.0706 119.3930 60.7107 63.7728 173.2164 33 N 5.7058 7.5556 118.7396 51.8995 40.5789 174.6958 34 E 3.9338 8.5178 120.8870 59.4074 29.5849 179.1785 35 C 4.2557 8.2510 118.3338 59.3719 44.9147 175.5330 36 V 3.5219 7.9240 120.0787 65.7473 31.0386 177.7981 37 L 3.3701 7.7807 119.7220 57.8680 41.7557 178.3343 38 C 4.2074 8.2880 116.9809 60.1075 39.9958 176.3374 39 S 4.0090 8.0268 114.4522 61.2724 62.9514 175.7432 40 E 4.0905 8.3752 123.1610 59.1161 29.2756 178.5278 41 N 4.3793 8.3073 117.2036 55.9956 38.4249 177.2636 42 K 4.1315 7.8112 118.3725 58.3188 32.7409 177.4223 43 K 4.5935 7.3719 118.4738 56.7625 33.1174 176.1865 44 R 4.6893 7.9178 117.9635 55.5756 32.8173 175.5235 45 Q 4.3909 8.4518 118.4515 55.7717 28.8649 175.7737 46 T 4.1026 7.3300 110.6857 61.1304 68.2806 170.9489 47 P 4.2962 0.0000 0.0000 62.4784 31.9157 176.3165 48 V 3.7848 8.2184 122.7472 62.4810 32.3005 175.2792 49 L 4.5567 8.0410 127.1069 53.4999 44.7984 175.0668 50 I 4.5267 8.4668 121.5168 60.5335 37.0371 176.3765 51 Q 4.2642 9.1216 130.4132 58.7108 29.4779 176.0559 52 K 4.6157 7.6563 115.5197 55.9903 35.7959 175.1016 53 S 4.4703 8.6018 117.4005 59.1398 63.6976 175.3191 54 G 3.9981 8.4393 108.8186 44.2912 0.0000 171.5682 55 P 4.4268 0.0000 0.0000 62.3489 31.9513 177.2618 56 C 4.4696 8.5874 116.5787 57.5591 41.0098 173.7880 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 T 8.17 4.30 4.24 0.00 0.00 0.00 0.00 0.00 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 1A S 8.32 4.43 0.00 3.92 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 P 0.00 4.59 0.00 2.15 2.04 0.00 3.48 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.09 0.00 3 Q 8.83 4.42 0.00 2.13 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 7.21 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 4 R 7.65 4.55 0.00 1.93 2.15 0.00 3.16 0.00 0.00 3.33 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.36 0.00 5 E 8.18 4.30 0.00 1.98 1.84 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 0.00 2.29 2.29 0.00 6 A 8.25 4.27 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.58 4.14 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 8 C 8.19 4.66 0.00 3.08 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 4.39 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 1.20 0.00 0.00 11 S 7.76 4.68 0.00 3.81 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 12 E 8.70 4.39 0.00 1.99 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 2.27 2.26 0.00 13 V 7.38 4.48 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 0.74 0.00 0.00 0.93 0.00 0.00 14 S 8.29 4.65 0.00 3.85 3.85 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 15 G 7.39 4.15 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 0.00 0.00 0.00 16 C 8.31 5.09 0.00 2.95 2.99 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 17 P 0.00 4.52 0.00 2.19 2.07 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 18 K 8.29 4.48 0.00 1.78 1.88 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.43 7.81 19 I 7.53 4.12 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.82 0.93 0.00 0.00 20 Y 8.39 4.70 0.00 2.90 2.95 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 21 N 8.68 4.88 0.00 2.71 2.54 0.00 0.00 6.76 8.42 0.00 0.00 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 P 0.00 4.87 0.00 2.10 1.95 0.00 3.22 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.11 0.00 23 V 8.74 4.80 2.12 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 0.70 0.00 0.00 1.04 0.00 0.00 24 C 9.45 4.82 0.00 3.12 3.13 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 25 G 9.20 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.77 4.08 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 27 D 8.08 4.40 0.00 2.86 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 28 G 8.48 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 0.00 0.00 0.00 29 I 7.91 4.17 1.89 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 1.20 0.82 0.02 0.00 0.00 30 T 8.22 4.61 4.20 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 0.00 0.00 0.00 1.24 0.00 0.00 31 Y 8.88 4.58 0.00 3.00 3.03 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 32 S 9.07 4.22 0.00 4.24 4.28 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 33 N 7.56 5.71 0.00 2.95 3.03 0.00 0.00 6.37 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 E 8.52 3.93 0.00 2.03 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 2.34 2.31 0.00 35 C 8.25 4.26 0.00 3.03 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.92 3.52 2.36 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 1.11 0.00 0.00 1.05 0.00 0.00 37 L 7.78 3.37 0.00 1.28 1.59 -0.04 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 38 C 8.29 4.21 0.00 3.12 3.08 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 39 S 8.03 4.01 0.00 4.02 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 40 E 8.38 4.09 0.00 2.37 2.04 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 0.00 2.56 2.48 0.00 41 N 8.31 4.38 0.00 2.89 2.80 0.00 0.00 6.75 9.03 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 42 K 7.81 4.13 0.00 1.89 1.92 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.44 7.81 43 K 7.37 4.59 0.00 2.01 1.92 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.57 1.47 7.81 44 R 7.92 4.69 0.00 1.90 2.03 0.00 3.14 0.00 0.00 3.43 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 45 Q 8.45 4.39 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.88 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 46 T 7.33 4.10 4.24 0.00 0.00 0.00 0.00 0.00 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 47 P 0.00 4.30 0.00 2.19 2.02 0.00 3.80 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 1.97 1.93 0.00 48 V 8.22 3.78 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 0.96 0.00 0.00 1.03 0.00 0.00 49 L 8.04 4.56 0.00 1.60 1.76 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.47 4.53 1.95 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 1.08 0.48 0.93 0.00 0.00 51 Q 9.12 4.26 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.63 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 52 K 7.66 4.62 0.00 1.83 1.84 0.00 1.55 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.47 7.81 53 S 8.60 4.47 0.00 3.87 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.44 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 0.00 0.00 0.00 55 P 0.00 4.43 0.00 2.22 2.13 0.00 3.78 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 56 C 8.59 4.47 0.00 3.00 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 * Residues marked with a * may have inaccurate shift predictions.