NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9793 8.1976 109.7378 45.8397 0.0000 175.9325 3 S 4.0549 7.9226 113.6183 59.5206 63.5568 174.5562 4 L 3.9191 8.8199 125.0322 58.2390 42.0890 180.3412 5 R 4.2206 7.9709 118.3712 58.7794 30.0527 178.5564 6 D 4.4372 8.0732 118.4942 57.4827 40.7754 178.9677 7 L 4.0386 8.1601 119.4223 57.8395 41.3862 179.5951 8 Q 3.9727 8.5109 118.4118 59.1805 28.6661 178.2331 9 Y 4.0240 8.5121 120.7072 60.6156 38.8154 178.0082 10 A 3.9572 8.2061 121.7435 54.8511 18.3847 179.3771 11 L 3.8036 8.0962 119.0311 58.3866 42.1892 178.8430 12 Q 3.8268 8.0863 119.6831 59.1301 28.8070 177.9051 13 E 3.6469 7.9977 120.5321 59.2779 29.5177 179.0461 14 K 4.2992 7.9172 119.6827 58.9697 32.1245 179.4550 15 I 3.6588 7.9655 120.4127 64.3462 37.0761 178.1251 16 E 3.9345 8.3488 120.3227 59.2459 29.3042 178.7130 17 E 3.9809 8.5026 119.0924 59.2925 29.4867 179.3144 18 L 3.9997 8.2257 119.3835 57.8954 41.6908 179.8098 19 R 4.0206 7.9547 117.9049 59.1707 29.8891 179.2150 20 Q 3.9703 8.0458 117.8084 58.9681 28.6670 178.7145 21 R 3.9139 8.1380 119.2227 59.6392 30.1501 178.8700 22 D 4.3199 8.6233 118.6042 57.2517 40.8132 178.7614 23 A 3.9991 8.0943 121.4221 54.8771 18.2789 179.4484 24 L 3.8686 8.1344 118.9934 58.3191 42.1414 179.0767 25 I 3.6733 7.9343 119.9358 64.6600 37.0712 177.9218 26 D 4.3837 8.0666 119.4391 57.6655 40.6203 178.9597 27 E 3.9979 8.1487 118.7353 59.2561 29.3420 179.4841 28 L 3.9758 8.2027 119.2916 57.9730 41.8680 179.4858 29 E 3.9618 8.5796 118.8709 58.9836 29.2623 179.2701 30 L 3.9301 7.9220 120.7150 58.1631 42.2140 178.6091 31 E 3.9649 8.3786 119.3937 59.1808 29.4242 178.8065 32 L 3.9853 8.1862 119.2835 57.9608 41.7086 179.1846 33 D 4.3695 8.0273 118.4949 57.3715 40.6939 178.9985 34 Q 3.9774 7.9400 118.2274 58.9961 28.7538 178.9187 35 K 4.0374 8.0993 119.5117 59.3837 32.0870 179.1844 36 D 4.3527 8.4528 119.7475 57.3256 40.5112 178.4688 37 E 3.9247 7.9694 118.7926 59.0864 29.7335 178.1641 38 L 4.0961 7.8081 119.3774 58.3542 42.3638 178.7352 39 I 3.9284 7.9544 119.7013 64.2661 36.8709 178.5613 40 Q 4.3682 7.8480 116.3010 56.4333 28.3645 178.1720 *42 L 4.2962 7.8662 121.9582 55.0727 43.8934 179.4062 43 Q 4.0442 8.2963 117.6210 58.9565 28.4533 178.6031 44 N 4.3239 8.5910 118.0491 56.1005 38.3492 176.9320 45 E 3.8927 8.1222 119.1795 59.5161 30.1286 178.5116 46 L 4.3591 8.1377 118.7958 57.9827 41.7221 179.3003 47 D 4.4216 8.1123 118.8644 56.9372 40.4479 178.5021 48 K 3.6655 7.4459 118.2708 59.6701 32.1090 177.9319 49 Y 4.5934 7.4230 113.7863 58.6680 38.3940 176.3056 50 R 4.7171 7.6142 117.9747 55.8378 31.8937 177.1654 51 S 4.0794 8.5272 115.4676 61.9307 62.7640 176.2348 52 V 3.8755 7.7550 117.3988 64.2250 31.6442 176.3947 53 I 4.2862 7.5415 110.9516 60.7079 38.8540 175.5527 54 R 4.0844 7.6798 122.1977 56.5329 29.0821 176.2517 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 2 G 8.20 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.92 4.05 0.00 4.15 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 4 L 8.82 3.92 0.00 1.78 1.74 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 5 R 7.97 4.22 0.00 2.01 1.99 0.00 3.65 0.00 0.00 3.56 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.54 0.00 6 D 8.07 4.44 0.00 2.93 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 7 L 8.16 4.04 0.00 1.89 1.73 0.93 0.99 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 8 Q 8.51 3.97 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.62 0.00 9 Y 8.51 4.02 0.00 3.09 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.21 3.96 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.10 3.80 0.00 1.84 1.79 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 8.09 3.83 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.56 0.00 0.00 0.00 0.00 0.00 2.17 2.28 0.00 13 E 8.00 3.65 0.00 1.36 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 2.23 2.27 0.00 14 K 7.92 4.30 0.00 1.93 1.81 0.00 1.73 0.00 0.00 1.92 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.46 7.81 15 I 7.97 3.66 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 1.38 1.08 0.88 0.00 0.00 16 E 8.35 3.93 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 17 E 8.50 3.98 0.00 2.17 1.97 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 0.00 2.32 2.45 0.00 18 L 8.23 4.00 0.00 1.82 1.70 0.90 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 19 R 7.95 4.02 0.00 2.00 1.97 0.00 3.12 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 20 Q 8.05 3.97 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 21 R 8.14 3.91 0.00 2.14 1.98 0.00 3.17 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 22 D 8.62 4.32 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 23 A 8.09 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 24 L 8.13 3.87 0.00 1.76 1.87 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.93 3.67 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 0.67 0.91 0.00 0.00 26 D 8.07 4.38 0.00 2.87 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 E 8.15 4.00 0.00 2.21 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 28 L 8.20 3.98 0.00 1.87 1.71 0.92 1.21 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 29 E 8.58 3.96 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 30 L 7.92 3.93 0.00 1.96 1.84 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.38 3.96 0.00 2.17 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 0.00 2.31 2.35 0.00 32 L 8.19 3.99 0.00 1.89 1.70 0.92 1.22 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 33 D 8.03 4.37 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 34 Q 7.94 3.98 0.00 2.24 2.15 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 2.38 2.58 0.00 35 K 8.10 4.04 0.00 1.95 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.72 7.81 36 D 8.45 4.35 0.00 2.92 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 37 E 7.97 3.92 0.00 2.09 2.13 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 2.32 2.31 0.00 38 L 7.81 4.10 0.00 1.88 1.79 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 39 I 7.95 3.93 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 1.53 0.46 0.91 0.00 0.00 40 Q 7.85 4.37 0.00 2.35 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.39 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 *42 L 7.87 4.30 0.00 1.94 1.77 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.30 4.04 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 44 N 8.59 4.32 0.00 2.70 2.85 0.00 0.00 6.62 7.22 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 45 E 8.12 3.89 0.00 1.96 2.21 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 2.38 2.64 0.00 46 L 8.14 4.36 0.00 1.94 1.78 0.95 1.02 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 47 D 8.11 4.42 0.00 2.96 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.45 3.67 0.00 1.18 1.26 0.00 1.61 0.00 0.00 1.42 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.34 7.81 49 Y 7.42 4.59 0.00 3.14 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.61 4.72 0.00 1.89 1.88 0.00 3.20 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 51 S 8.53 4.08 0.00 3.83 3.94 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 0.00 0.00 0.00 0.00 52 V 7.76 3.88 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 0.82 0.00 0.00 0.93 0.00 0.00 53 I 7.54 4.29 1.88 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 1.49 0.81 0.92 0.00 0.00 54 R 7.68 4.08 0.00 1.95 2.04 0.00 3.10 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.59 0.00 * Residues marked with a * may have inaccurate shift predictions.