NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3030 8.2644 123.5821 52.1085 20.5022 177.6628 2 R 4.0993 7.8360 113.3594 57.6228 30.1815 173.6912 3 Q 4.5760 7.7313 116.8726 53.6182 36.9800 171.7791 4 E 3.6557 8.3981 124.8773 56.2742 27.1128 173.6468 5 N 4.9596 7.6904 117.1535 49.9307 38.2225 172.2067 6 P 4.3241 0.0000 0.0000 63.5065 32.2940 176.5501 7 C 4.9789 8.5304 119.9650 54.7602 42.6601 174.0669 8 G 3.8553 8.4323 112.8650 44.2873 0.0000 171.6936 9 P 4.1583 0.0000 0.0000 63.2876 31.2710 176.3197 10 C 4.3001 7.8867 118.7985 58.0677 41.4339 176.7656 11 S 4.2535 6.8384 119.6614 57.3985 63.6318 171.0333 12 E 4.4383 8.1260 113.7773 56.5716 32.3167 177.4026 13 R 4.2841 7.9669 118.7883 58.1183 31.8988 178.0506 14 R 4.5415 7.7143 116.4921 54.9480 29.2226 176.7022 15 K 4.5854 7.6181 117.5250 58.5351 34.0788 179.2973 16 H 4.2739 8.2845 116.3024 58.8492 28.9106 176.2714 17 L 4.1807 8.0555 118.1946 56.5355 42.3656 177.2478 18 F 5.0481 8.2663 117.5998 56.3842 41.1493 175.5964 19 V 4.5293 8.6917 112.8323 59.7602 34.8356 174.6958 20 Q 5.6167 8.7687 126.0394 53.6983 31.2702 173.9567 21 D 4.9611 8.5262 125.3180 52.5008 42.9989 174.9239 22 P 4.5853 0.0000 0.0000 63.7794 32.1532 176.5549 23 Q 4.3861 8.0849 118.3754 57.4863 29.8003 176.6578 24 T 4.2461 7.7773 104.9394 61.0278 70.0344 175.7317 25 C 4.1010 8.0493 117.6459 57.6914 35.2408 172.9807 26 K 4.5032 7.4623 120.1971 55.7787 33.8829 174.7831 27 C 6.1321 8.4311 116.9625 54.6016 44.2544 174.2682 28 S 4.9135 8.5165 116.2596 56.8048 66.8934 174.4119 29 C 4.3060 8.9514 121.2525 57.4694 40.3600 174.1974 30 K 4.0765 8.4279 122.0055 59.6248 31.6453 177.7254 31 N 4.4045 8.0684 117.5529 53.7192 39.6409 174.3164 32 T 4.6843 7.9653 113.2868 59.5426 72.9353 174.9276 33 D 4.3440 8.4905 121.4238 56.7283 39.0179 178.8430 34 S 4.0894 7.3782 115.5198 61.3489 63.2499 176.2527 35 R 4.0229 7.5547 119.8420 59.6905 29.8545 177.9007 36 C 4.2676 7.8701 116.3277 59.9880 37.2382 176.1055 37 K 3.9270 8.7818 122.2801 58.4373 31.4483 178.4174 38 A 4.1571 7.6485 120.0548 54.1382 18.3957 177.5442 39 R 4.5114 7.5825 116.2619 56.3967 31.7660 175.4294 40 Q 3.4543 8.0214 111.7884 57.0553 26.1860 172.2918 41 L 5.0692 7.1327 116.9220 53.2363 47.7517 177.0344 42 E 4.6821 9.2023 118.9540 54.2242 32.9304 175.4902 43 L 4.2812 8.7379 127.4412 55.5770 42.9063 175.4463 44 N 4.8780 9.3093 125.6297 52.2584 40.3366 175.3414 45 E 4.3202 8.9704 124.6992 57.5156 30.1969 178.1296 46 R 4.1448 8.0718 116.5706 58.8918 29.7979 177.4866 47 T 4.4225 7.6452 108.9804 60.3495 69.0426 173.3569 48 C 3.9156 8.3301 116.2086 58.6527 33.5024 171.6693 49 R 4.7935 7.0728 117.5219 54.7603 35.3734 176.5059 50 C 4.9628 8.6342 117.5201 56.5755 38.1078 173.0781 51 D 5.0393 8.7087 121.4076 52.5146 45.7257 174.5617 52 K 4.7578 8.4802 120.0991 54.9446 33.1038 174.6272 53 P 4.3685 0.0000 0.0000 65.3016 31.1225 176.1490 54 R 4.4180 7.2995 118.1860 57.0692 37.3012 175.3023 *55 R 4.1244 7.8010 122.7587 55.4229 30.0988 177.4423 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 A 8.26 4.30 1.31 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 0.00 0.00 2 R 7.84 4.10 0.00 1.86 1.95 0.00 3.28 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 3 Q 7.73 4.58 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.22 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 4 E 8.40 3.66 0.00 2.09 1.99 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 2.17 2.22 0.00 5 N 7.69 4.96 0.00 2.79 2.75 0.00 0.00 6.34 7.74 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 6 P 0.00 4.32 0.00 2.05 2.03 0.00 3.62 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 7 C 8.53 4.98 0.00 2.91 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 8 G 8.43 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 0.00 0.00 0.00 9 P 0.00 4.16 0.00 1.99 1.96 0.00 3.64 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 10 C 7.89 4.30 0.00 2.54 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 6.84 4.25 0.00 2.93 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 4.44 0.00 1.89 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 13 R 7.97 4.28 0.00 1.82 1.95 0.00 3.29 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 14 R 7.71 4.54 0.00 1.94 1.96 0.00 3.28 0.00 0.00 3.32 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 15 K 7.62 4.59 0.00 1.86 2.00 0.00 1.43 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.32 7.81 16 H 8.28 4.27 0.00 3.18 3.45 0.00 5.90 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.06 4.18 0.00 1.34 1.43 0.87 1.15 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 18 F 8.27 5.05 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.69 4.53 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 0.82 0.00 0.00 1.01 0.00 0.00 20 Q 8.77 5.62 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.79 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 21 D 8.53 4.96 0.00 2.85 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 4.59 0.00 2.22 2.15 0.00 3.80 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 1.98 1.98 0.00 23 Q 8.08 4.39 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 24 T 7.78 4.25 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 25 C 8.05 4.10 0.00 3.17 3.21 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 0.00 0.00 0.00 26 K 7.46 4.50 0.00 1.76 1.75 0.00 1.51 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.46 7.81 27 C 8.43 6.13 0.00 2.76 3.06 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 28 S 8.52 4.91 0.00 3.75 3.71 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 29 C 8.95 4.31 0.00 2.76 2.83 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 30 K 8.43 4.08 0.00 1.64 1.82 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.46 7.81 31 N 8.07 4.40 0.00 2.60 2.65 0.00 0.00 6.75 7.68 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 32 T 7.97 4.68 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 33 D 8.49 4.34 0.00 2.96 2.97 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 0.00 0.00 0.00 34 S 7.38 4.09 0.00 3.80 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 35 R 7.55 4.02 0.00 1.90 2.06 0.00 3.11 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 36 C 7.87 4.27 0.00 3.08 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.78 3.93 0.00 1.89 1.93 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.46 7.81 38 A 7.65 4.16 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 39 R 7.58 4.51 0.00 1.77 1.88 0.00 3.31 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 1.54 1.55 0.00 40 Q 8.02 3.45 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.47 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 41 L 7.13 5.07 0.00 1.58 1.59 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 42 E 9.20 4.68 0.00 1.80 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 43 L 8.74 4.28 0.00 1.61 1.57 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 44 N 9.31 4.88 0.00 2.90 2.65 0.00 0.00 6.84 7.54 0.00 0.00 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 8.97 4.32 0.00 2.01 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 0.00 2.33 2.37 0.00 46 R 8.07 4.14 0.00 1.91 2.08 0.00 3.02 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.59 0.00 47 T 7.65 4.42 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 1.22 0.00 0.00 48 C 8.33 3.92 0.00 2.79 2.85 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 49 R 7.07 4.79 0.00 1.64 1.74 0.00 3.25 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 50 C 8.63 4.96 0.00 2.84 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 51 D 8.71 5.04 0.00 2.48 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.48 4.76 0.00 1.74 1.83 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.79 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.36 7.81 53 P 0.00 4.37 0.00 2.20 2.44 0.00 3.80 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 54 R 7.30 4.42 0.00 1.88 1.93 0.00 3.23 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 *55 R 7.80 4.12 0.00 1.60 1.78 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.