NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3702 8.3049 120.3280 54.3875 33.3812 174.4555 2 K 3.6779 8.5237 119.2038 56.8515 31.8529 175.9176 3 R 4.4139 8.5085 123.4158 54.8648 32.5196 176.4542 4 T 3.8784 8.6120 114.1001 65.1813 67.1303 174.0908 5 W 4.4609 8.1555 134.9386 56.8961 29.9095 175.5429 6 Q 4.1648 7.6703 126.3680 52.3239 28.2716 173.6768 7 P 3.2325 0.0000 0.0000 63.0029 31.8342 176.6917 8 N 4.4306 7.8603 114.2956 51.7510 42.3321 175.4193 9 R 3.9219 8.4738 127.5887 59.4920 30.3789 178.7983 10 R 3.9025 8.0060 117.9897 59.5283 29.9416 177.9210 11 K 3.8911 8.0165 118.8231 59.2694 32.2226 178.1467 12 R 3.9961 8.4231 118.7976 59.7738 29.9953 178.4107 13 A 4.0343 8.1872 119.9922 55.2281 18.3509 179.8322 14 K 4.0715 8.2825 115.5504 59.0822 32.0519 179.0479 15 T 4.2002 8.0829 115.8732 65.6439 69.1411 176.0189 16 H 4.8906 8.2984 115.8831 55.0259 30.1775 175.1590 17 G 4.0500 7.3867 110.8980 43.8439 0.0000 173.2207 18 F 3.9683 8.5220 119.8658 61.3279 38.8658 176.9568 19 R 3.9647 8.4168 119.0645 59.4621 30.4725 178.5157 20 A 4.1292 7.9312 119.8346 55.4783 18.1305 179.7391 21 R 3.8594 7.9741 116.1982 59.4996 29.9369 178.8887 22 M 3.9415 7.7918 116.8329 56.9681 31.8620 178.0490 23 R 4.2731 7.4690 117.7734 57.3263 31.5006 176.8501 24 T 4.0608 6.9144 114.6369 60.9173 67.7950 173.2284 25 P 4.6045 0.0000 0.0000 64.0234 31.2369 177.0927 26 G 4.0399 7.7950 105.8181 46.5368 0.0000 175.9177 27 G 3.7195 7.9381 107.6413 47.4347 0.0000 175.8149 28 R 3.8928 8.2757 120.6813 59.1332 30.0091 179.2147 29 K 4.0516 7.8495 117.7951 58.9978 32.2318 179.2753 30 V 3.5670 8.0324 119.3508 66.0056 31.3623 178.1497 31 L 3.9539 7.6682 118.3459 57.7752 41.6835 179.4103 32 K 3.9780 7.9149 119.2826 59.4031 31.9834 178.8899 33 R 4.1432 8.2293 118.5872 58.9480 30.1171 179.0020 34 R 4.0444 7.9687 117.5492 58.9655 29.9220 179.2320 35 R 3.9249 8.1000 118.2124 59.2053 29.9453 178.4169 36 Q 3.9514 7.4541 116.9993 59.4440 29.1638 178.6097 37 K 4.1524 8.0428 118.1824 56.4949 33.6021 175.7671 38 G 3.8184 8.3259 107.9962 46.3738 0.0000 173.1385 39 R 4.6398 8.3485 118.7768 54.9095 32.1149 177.7520 40 W 4.5237 8.8231 120.7036 58.7490 29.5508 176.8586 41 R 4.8553 7.9045 115.4560 54.3779 33.1384 174.6712 42 L 4.5928 8.7180 119.7273 55.7987 43.4844 177.3632 43 T 4.6507 7.5188 113.2455 60.7408 71.4811 171.6505 44 P 4.0332 0.0000 0.0000 62.5711 31.7471 175.9413 45 A 4.2415 8.4520 126.0547 52.3683 19.0409 176.2198 46 V 4.4853 7.6519 119.1081 62.2165 34.7000 172.9888 47 R 4.5038 7.8051 116.7609 55.5749 31.1940 173.6727 48 K 4.4322 8.2206 119.3058 56.1760 35.7224 177.1387 *49 R 4.1254 8.4882 116.1947 56.8359 30.0213 171.0405 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 M 8.30 4.37 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.64 0.00 2 K 8.52 3.68 0.00 1.82 1.80 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.51 7.81 3 R 8.51 4.41 0.00 1.85 1.91 0.00 3.44 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.58 0.00 4 T 8.61 3.88 4.30 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 1.28 0.00 0.00 5 W 8.16 4.46 0.00 3.38 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 6 Q 7.67 4.16 0.00 1.80 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.67 0.00 0.00 0.00 0.00 0.00 2.16 2.15 0.00 7 P 0.00 3.23 0.00 2.15 2.20 0.00 3.47 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.00 0.00 8 N 7.86 4.43 0.00 2.60 2.53 0.00 0.00 7.08 7.65 0.00 0.00 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 R 8.47 3.92 0.00 1.91 1.99 0.00 3.21 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.72 0.00 10 R 8.01 3.90 0.00 1.87 1.93 0.00 3.17 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 11 K 8.02 3.89 0.00 1.86 1.93 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.56 7.81 12 R 8.42 4.00 0.00 2.24 2.16 0.00 3.50 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.93 0.00 13 A 8.19 4.03 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.28 4.07 0.00 1.95 1.89 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.64 7.81 15 T 8.08 4.20 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 0.87 0.00 0.00 16 H 8.30 4.89 0.00 3.16 3.35 0.00 5.70 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.39 4.05 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 0.00 0.00 0.00 18 F 8.52 3.97 0.00 3.18 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 19 R 8.42 3.96 0.00 1.91 2.09 0.00 3.34 0.00 0.00 3.30 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.97 0.00 20 A 7.93 4.13 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 21 R 7.97 3.86 0.00 1.69 2.00 0.00 3.27 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.74 0.00 22 M 7.79 3.94 0.00 1.92 2.16 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 1.84 0.00 23 R 7.47 4.27 0.00 1.93 1.96 0.00 3.16 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 24 T 6.91 4.06 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 1.29 0.00 0.00 25 P 0.00 4.60 0.00 2.25 2.13 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 26 G 7.80 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.94 3.72 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 0.00 0.00 0.00 28 R 8.28 3.89 0.00 1.90 1.95 0.00 3.10 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 29 K 7.85 4.05 0.00 1.96 1.84 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.48 7.81 30 V 8.03 3.57 2.23 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 1.02 0.00 0.00 0.96 0.00 0.00 31 L 7.67 3.95 0.00 1.81 1.66 0.55 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.91 3.98 0.00 1.84 1.95 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 33 R 8.23 4.14 0.00 2.04 1.95 0.00 3.17 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 34 R 7.97 4.04 0.00 2.05 2.01 0.00 3.13 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 35 R 8.10 3.92 0.00 1.89 1.99 0.00 3.17 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 36 Q 7.45 3.95 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.96 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 37 K 8.04 4.15 0.00 1.89 1.84 0.00 1.97 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.46 7.81 38 G 8.33 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 0.00 0.00 0.00 39 R 8.35 4.64 0.00 1.97 2.08 0.00 3.33 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 40 W 8.82 4.52 0.00 3.19 3.26 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 41 R 7.90 4.86 0.00 1.78 1.85 0.00 3.35 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 1.58 1.79 0.00 42 L 8.72 4.59 0.00 1.73 1.76 1.03 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.52 4.65 4.38 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 1.31 0.00 0.00 44 P 0.00 4.03 0.00 2.08 2.03 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.11 0.00 45 A 8.45 4.24 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.65 4.49 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 0.85 0.00 0.00 1.00 0.00 0.00 47 R 7.81 4.50 0.00 1.91 1.84 0.00 3.05 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.56 0.00 48 K 8.22 4.43 0.00 1.82 1.82 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.42 7.81 *49 R 8.49 4.13 0.00 1.60 1.79 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.