NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3600 8.3344 115.2898 58.4102 63.3827 173.2504 2 S 4.1443 8.5183 119.8990 57.7842 62.8208 172.7259 3 N 4.5590 8.6472 121.0205 53.2554 39.7135 174.3502 4 A 3.9861 8.4701 130.8860 55.2756 18.6526 178.9814 5 K 3.9193 8.1044 116.4029 59.7520 32.1001 179.4801 6 I 3.7525 8.0251 120.0065 64.3844 36.9972 178.2265 7 D 4.3423 7.9641 119.4896 57.3786 40.5961 178.5923 8 Q 3.9889 8.1016 120.0990 59.0977 28.9587 178.2925 9 L 3.9733 7.9184 120.1169 57.7933 41.6692 179.3867 10 S 4.0604 8.1828 113.2071 61.3471 62.3177 176.2136 11 S 4.0883 8.1880 115.8280 61.5067 62.1847 175.8697 12 D 4.3478 8.3345 121.5010 57.2829 40.5439 178.6648 13 A 4.0068 8.2652 121.4720 55.2329 18.4053 179.7386 14 Q 3.9523 8.2061 116.5670 59.4423 28.7501 179.1829 15 T 3.8821 8.1019 116.5532 66.4293 68.4005 176.6548 16 A 3.9821 8.1245 122.7112 55.3211 18.4337 179.4836 17 N 4.2594 8.3484 114.7948 56.3340 38.5803 177.5569 18 A 4.0024 8.1246 122.1977 55.1290 18.3954 179.9121 19 K 3.9345 8.3245 116.9115 59.4693 32.0797 179.4910 20 A 3.9975 8.2459 121.2623 55.2957 18.2761 179.4707 21 D 4.2880 8.3039 117.4876 57.3590 40.8763 178.7813 22 Q 3.9098 8.1483 119.9717 59.2347 29.0553 178.2467 23 A 4.0369 8.3702 122.1754 55.0041 18.3438 179.5783 24 S 4.0238 8.2866 111.9952 61.5859 62.4820 176.2136 25 N 4.3454 8.1773 119.2369 56.2840 38.2994 177.0812 26 D 4.3486 8.1863 120.0624 57.4611 40.9890 178.8432 27 A 3.9992 8.1998 121.2901 55.0164 18.2497 179.2116 28 N 4.2212 8.2128 115.4015 56.8661 39.0563 177.0446 29 A 3.9978 8.1476 121.9608 55.0935 18.4616 179.5034 30 A 3.9567 8.2100 119.3803 55.2272 18.4966 180.1309 31 R 3.8823 8.1295 116.7725 59.3943 30.2222 179.2119 32 S 4.0904 7.9049 112.7717 61.4062 62.3965 175.6706 33 D 4.3207 8.3536 120.6477 57.3105 40.9184 178.1208 34 A 4.0383 8.1722 121.3388 55.1420 18.2912 179.6714 35 Q 3.9312 7.9626 116.0689 58.9978 28.7620 178.7217 36 A 3.9728 8.0203 121.4785 55.0686 18.4156 179.5887 37 A 3.9587 7.9767 119.3776 55.1756 18.4613 179.9975 38 K 3.9460 8.2387 117.1105 59.7660 32.1117 179.3493 39 D 4.3880 8.3353 119.2552 57.2912 40.7959 178.5692 40 D 4.3276 8.3063 119.2783 57.3480 40.9822 178.6823 41 A 3.9901 8.1334 121.0266 55.0933 18.3635 179.5316 42 A 3.9608 8.1357 119.3356 55.3239 18.4410 179.8932 43 R 3.8469 8.2582 117.0709 59.2892 29.8546 178.6460 44 A 3.9975 7.9616 120.5878 55.2855 18.3260 179.4300 45 N 4.3115 8.1001 114.5826 56.2568 38.5513 177.4328 46 Q 3.9442 8.1626 121.2053 59.3148 28.9685 178.6207 47 R 3.9490 8.0631 119.0572 59.2728 29.8382 179.0825 48 L 3.9695 7.4042 117.8515 57.6753 41.6573 178.9363 49 D 4.5061 8.1169 118.5534 57.0580 40.9215 177.6445 50 N 4.6720 8.0239 113.9753 52.6518 39.3134 175.3434 51 M 4.0625 6.9758 118.5704 54.7830 32.2646 176.3372 *52 A 4.0943 8.4415 123.1747 52.5870 19.0471 176.3685 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 8.33 4.36 0.00 3.85 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 2 S 8.52 4.14 0.00 3.95 3.84 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 0.00 0.00 0.00 3 N 8.65 4.56 0.00 2.80 2.71 0.00 0.00 7.00 7.86 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 4 A 8.47 3.99 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 3.92 0.00 1.96 1.87 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.54 7.81 6 I 8.03 3.75 2.02 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 1.74 0.85 0.91 0.00 0.00 7 D 7.96 4.34 0.00 2.85 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 8.10 3.99 0.00 2.18 2.25 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 2.35 2.60 0.00 9 L 7.92 3.97 0.00 1.94 1.70 0.92 0.78 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 10 S 8.18 4.06 0.00 3.98 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 11 S 8.19 4.09 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 8.33 4.35 0.00 2.85 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 8.27 4.01 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 14 Q 8.21 3.95 0.00 2.34 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.27 0.00 15 T 8.10 3.88 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 16 A 8.12 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 17 N 8.35 4.26 0.00 2.86 2.88 0.00 0.00 6.95 6.70 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 18 A 8.12 4.00 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 8.32 3.93 0.00 1.95 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.60 7.81 20 A 8.25 4.00 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 21 D 8.30 4.29 0.00 2.86 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 8.15 3.91 0.00 2.14 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 23 A 8.37 4.04 1.34 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 0.00 0.00 0.00 24 S 8.29 4.02 0.00 3.96 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 25 N 8.18 4.35 0.00 2.94 2.84 0.00 0.00 7.04 8.14 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 26 D 8.19 4.35 0.00 2.86 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 8.20 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 28 N 8.21 4.22 0.00 2.84 2.97 0.00 0.00 7.10 8.21 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 29 A 8.15 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 30 A 8.21 3.96 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 31 R 8.13 3.88 0.00 2.03 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 1.80 0.00 32 S 7.90 4.09 0.00 3.85 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 33 D 8.35 4.32 0.00 2.91 2.80 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 34 A 8.17 4.04 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 7.96 3.93 0.00 2.30 2.16 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 2.52 2.52 0.00 36 A 8.02 3.97 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 37 A 7.98 3.96 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 38 K 8.24 3.95 0.00 2.00 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.62 7.81 39 D 8.34 4.39 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 40 D 8.31 4.33 0.00 2.88 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 41 A 8.13 3.99 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 42 A 8.14 3.96 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 43 R 8.26 3.85 0.00 2.09 2.03 0.00 3.10 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 44 A 7.96 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 45 N 8.10 4.31 0.00 2.91 2.88 0.00 0.00 6.68 7.55 0.00 0.00 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 8.16 3.94 0.00 2.31 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 47 R 8.06 3.95 0.00 2.08 1.96 0.00 3.18 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 48 L 7.40 3.97 0.00 1.79 1.73 0.92 1.00 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 49 D 8.12 4.51 0.00 2.82 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 50 N 8.02 4.67 0.00 2.70 2.85 0.00 0.00 7.10 7.28 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 51 M 6.98 4.06 0.00 2.36 2.06 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.77 0.00 *52 A 8.44 4.09 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 * Residues marked with a * may have inaccurate shift predictions.