NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.3366 8.0427 120.6318 55.0031 44.1778 178.2996 8 Q 3.7536 8.1814 118.9330 59.0711 28.8540 176.7551 9 D 4.5380 8.9391 120.6388 57.1549 41.3650 176.6556 10 P 4.3489 0.0000 0.0000 65.2846 31.3957 178.4950 11 F 3.9555 8.3518 119.5357 61.4170 39.3056 177.3214 12 L 3.8657 8.0330 118.6103 57.5516 41.1588 179.1689 13 N 4.5279 8.3587 116.3515 56.2986 38.4509 177.1842 14 A 3.9753 7.9367 122.0243 55.3024 18.6045 179.7203 15 L 3.7925 7.4864 117.0042 57.6655 41.5843 179.8989 16 R 4.0761 8.1108 120.2429 58.9580 29.9413 178.3875 17 R 3.8538 8.4170 118.2761 59.4347 30.0574 176.9579 18 E 4.2606 8.3484 113.9875 55.7896 29.8487 176.2606 19 R 3.7232 7.6112 117.6344 56.8395 28.3918 176.8926 20 V 3.8909 7.4700 116.3576 60.7063 32.6290 175.0910 21 P 4.5294 0.0000 0.0000 63.0468 32.6234 175.6853 22 V 4.9347 9.0557 116.3796 59.7554 36.8386 174.3818 23 S 5.0584 8.8556 117.5460 56.8601 65.8922 173.3607 24 I 4.8880 8.5622 125.9979 59.8302 39.4501 174.1522 25 Y 5.0087 8.9855 125.5598 56.6419 40.1329 175.8168 26 L 4.9371 8.8732 124.0909 53.5196 43.9015 178.0493 27 V 3.8701 8.6961 113.1251 63.1029 31.3891 177.0574 28 N 4.6559 8.0201 116.2468 52.3777 37.9796 175.6567 29 G 4.1161 8.1156 107.6440 45.2853 0.0000 174.3555 30 I 3.8941 8.2526 121.3969 61.4329 38.3299 174.8848 31 K 4.5752 8.5955 127.1856 54.6803 33.6694 175.1093 32 L 4.7889 8.7186 127.6591 53.3392 44.3399 175.5777 33 Q 4.8761 9.3062 119.3463 53.7547 32.9939 176.3531 34 G 3.8273 6.8759 107.0877 45.8642 0.0000 170.8845 35 Q 4.9343 7.6757 118.1034 53.8711 32.1640 175.5751 36 I 4.2404 8.2176 123.3390 61.5100 37.5171 176.3224 37 E 3.9972 9.0957 129.4914 58.8076 30.1144 176.2108 38 S 4.7532 7.7322 111.5931 58.0706 66.0922 172.5794 39 F 5.1514 7.7692 114.7885 56.1628 38.6519 173.2364 40 D 4.7076 8.6552 120.8780 52.0821 41.8904 175.1996 41 Q 4.0582 8.7720 118.3066 59.0109 28.9497 178.1796 42 F 5.2239 7.9131 114.1709 57.3145 41.3781 174.8515 43 V 5.0973 9.0081 113.0800 59.6149 36.6532 174.3764 44 I 4.9830 8.7735 122.1298 59.6820 40.8438 174.8319 45 L 4.8205 9.2324 127.8920 53.7354 43.0926 175.2749 46 L 5.0742 9.0178 127.2936 53.1372 44.4098 174.8140 47 K 5.0814 8.7601 127.7279 53.9755 34.8288 173.1164 48 N 4.5742 8.3738 129.1078 53.4111 45.3915 175.2357 49 T 3.9496 9.1639 108.7272 64.4453 67.1341 173.3851 50 V 4.4969 7.3870 112.0920 59.1252 35.2282 174.3314 51 S 4.8585 8.4923 117.5750 58.1098 63.4005 173.9359 52 Q 4.6598 9.1794 123.8287 54.4781 31.4104 174.3703 53 M 4.6959 8.5332 121.8931 54.5572 33.2914 174.9675 54 V 4.3055 8.5772 127.5387 61.2559 33.9650 174.4801 55 Y 4.5483 8.4556 125.8766 57.2492 38.6067 176.6493 56 K 3.9960 9.2094 125.6726 59.6919 32.4137 179.0051 57 H 4.1737 8.3129 112.8883 57.8084 28.6341 175.6935 58 A 4.5495 8.1546 121.9368 51.9796 19.3093 176.2277 59 I 4.7133 7.7132 118.1143 60.2264 38.6364 175.3787 60 S 4.8154 9.3923 119.5488 59.7907 64.5853 174.4725 61 T 4.7760 7.7862 108.8279 59.5383 72.5489 172.8994 62 V 4.7115 8.4363 122.2923 61.3638 34.1019 174.8048 63 V 4.4762 9.0030 129.3985 60.3696 33.3596 173.2419 64 P 4.8404 0.0000 0.0000 62.8848 31.5970 176.9906 65 S 4.5949 8.7553 117.0192 59.8298 63.6368 174.0147 66 R 4.6487 7.6332 115.2101 54.0467 31.9004 172.7943 67 P 4.2501 0.0000 0.0000 63.0143 31.7384 176.5790 68 V 4.2259 8.0937 120.8564 60.8269 33.0552 175.3739 69 S 4.2370 8.5366 121.8526 58.7910 63.8020 172.6999 70 H 3.7888 8.2866 120.0299 56.8754 25.3808 175.1094 71 H 4.6908 8.1440 128.6393 55.0430 27.9234 176.3292 *72 S 4.2715 7.6954 119.0825 58.3572 62.8210 175.5593 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 7 L 8.04 4.34 0.00 1.70 1.75 0.89 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.18 3.75 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 9 D 8.94 4.54 0.00 2.89 2.84 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 10 P 0.00 4.35 0.00 2.25 2.16 0.00 3.79 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 11 F 8.35 3.96 0.00 3.14 3.11 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 12 L 8.03 3.87 0.00 0.70 0.82 0.32 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.36 4.53 0.00 3.11 2.95 0.00 0.00 6.87 6.86 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 14 A 7.94 3.98 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.49 3.79 0.00 1.72 1.62 0.74 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.11 4.08 0.00 2.11 2.19 0.00 3.32 0.00 0.00 3.34 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 17 R 8.42 3.85 0.00 1.90 2.07 0.00 3.30 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 18 E 8.35 4.26 0.00 2.01 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 0.00 2.44 2.38 0.00 19 R 7.61 3.72 0.00 1.90 1.94 0.00 3.15 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 20 V 7.47 3.89 2.03 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 0.61 0.00 0.00 0.90 0.00 0.00 21 P 0.00 4.53 0.00 2.08 2.00 0.00 3.52 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 22 V 9.06 4.93 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 0.94 0.00 0.00 0.99 0.00 0.00 23 S 8.86 5.06 0.00 3.74 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 24 I 8.56 4.89 1.81 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.65 0.92 0.00 0.00 25 Y 8.99 5.01 0.00 2.89 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.87 4.94 0.00 1.83 1.71 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.70 3.87 2.11 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 0.75 0.00 0.00 0.97 0.00 0.00 28 N 8.02 4.66 0.00 2.82 2.94 0.00 0.00 6.37 7.00 0.00 0.00 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 G 8.12 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 8.25 3.89 2.05 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 1.14 0.80 0.91 0.00 0.00 31 K 8.60 4.58 0.00 1.49 1.58 0.00 1.41 0.00 0.00 1.41 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.05 0.68 7.81 32 L 8.72 4.79 0.00 1.51 1.48 0.96 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 9.31 4.88 0.00 1.82 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.13 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 34 G 6.88 3.83 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 0.00 0.00 0.00 35 Q 7.68 4.93 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.94 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 36 I 8.22 4.24 1.88 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.00 1.02 0.00 0.00 37 E 9.10 4.00 0.00 2.00 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 2.25 0.00 38 S 7.73 4.75 0.00 3.87 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.77 5.15 0.00 3.24 2.94 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 40 D 8.66 4.71 0.00 2.79 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 41 Q 8.77 4.06 0.00 1.70 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.89 0.00 0.00 0.00 0.00 0.00 1.46 2.06 0.00 42 F 7.91 5.22 0.00 3.38 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 43 V 9.01 5.10 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 0.40 0.00 0.00 1.00 0.00 0.00 44 I 8.77 4.98 1.88 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 1.26 0.83 0.94 0.00 0.00 45 L 9.23 4.82 0.00 1.56 1.59 0.95 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 46 L 9.02 5.07 0.00 1.70 1.49 0.89 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.76 5.08 0.00 1.88 1.61 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.39 7.81 48 N 8.37 4.57 0.00 2.64 1.77 0.00 0.00 7.11 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 49 T 9.16 3.95 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 1.21 0.00 0.00 50 V 7.39 4.50 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 0.76 0.00 0.00 0.93 0.00 0.00 51 S 8.49 4.86 0.00 3.74 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 52 Q 9.18 4.66 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.25 0.00 53 M 8.53 4.70 0.00 1.92 1.94 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.11 0.00 54 V 8.58 4.31 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.95 0.00 0.00 55 Y 8.46 4.55 0.00 2.93 2.31 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 56 K 9.21 4.00 0.00 1.95 1.95 0.00 1.93 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.51 1.59 7.81 57 H 8.31 4.17 0.00 3.26 3.51 0.00 5.51 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.15 4.55 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 59 I 7.71 4.71 2.05 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 1.38 0.85 0.98 0.00 0.00 60 S 9.39 4.82 0.00 3.82 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 61 T 7.79 4.78 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 1.18 0.00 0.00 62 V 8.44 4.71 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.96 0.00 0.00 63 V 9.00 4.48 2.28 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 1.03 0.00 0.00 1.13 0.00 0.00 64 P 0.00 4.84 0.00 2.10 1.93 0.00 3.87 0.00 0.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.07 0.00 65 S 8.76 4.59 0.00 3.90 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 R 7.63 4.65 0.00 1.89 1.89 0.00 3.05 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 67 P 0.00 4.25 0.00 2.07 2.06 0.00 3.63 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 2.04 2.10 0.00 68 V 8.09 4.23 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 0.77 0.00 0.00 0.89 0.00 0.00 69 S 8.54 4.24 0.00 4.09 3.86 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 0.00 0.00 0.00 70 H 8.29 3.79 0.00 3.26 3.40 0.00 5.88 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 H 8.14 4.69 0.00 3.22 3.43 0.00 5.75 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *72 S 7.70 4.27 0.00 3.60 3.68 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 * Residues marked with a * may have inaccurate shift predictions.