NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 3.8238 8.0249 121.4355 61.0874 37.3562 175.1578 *3 F 3.9043 8.2907 124.2954 57.5094 38.6453 172.4343 4 F 3.5994 8.2276 128.2802 57.5889 36.2005 175.7474 5 E 4.5318 8.5744 127.2489 55.6861 28.0748 175.3162 6 M 3.2326 8.4196 124.3820 55.1507 32.1985 175.7489 7 Q 4.4451 7.5363 115.9324 54.9191 33.9398 173.8019 8 A 3.1796 7.7783 120.5485 51.6056 19.2743 179.6010 9 C 4.4592 8.1847 120.4925 58.6697 43.3672 176.0844 10 W 4.2541 7.0870 115.9059 58.9762 28.4125 178.3459 11 S 4.1591 7.5768 112.4901 60.6076 61.9392 173.7248 12 H 4.4560 7.8041 117.3946 54.9168 29.8071 174.3499 13 S 3.7577 7.9604 112.6322 59.1916 60.3675 170.7665 14 G 4.2394 8.4810 107.6262 44.9932 0.0000 169.5650 15 V 4.6750 8.3880 117.9122 61.5548 35.9014 175.0208 16 C 5.3953 8.8673 121.7291 55.7023 42.5288 173.5935 17 R 4.7114 8.4356 123.1385 53.8822 33.3316 175.8466 18 D 4.7652 8.4218 120.3282 54.1355 41.3099 178.1842 19 K 3.8808 8.7367 123.2025 59.1982 32.2083 177.3167 20 S 4.5941 7.8940 111.9332 57.9193 62.2972 172.6283 21 E 4.3486 8.0547 119.9944 54.9915 29.9559 176.5984 22 R 4.2260 8.5152 123.9773 57.2501 31.1801 176.1114 23 N 5.0278 7.7912 115.4123 51.6367 38.6359 173.4638 24 C 4.8974 7.7587 118.1667 54.5262 43.2791 173.4613 25 K 4.4375 8.3435 125.5537 53.7355 32.8389 172.8177 26 P 4.2800 0.0000 0.0000 63.3946 31.9451 175.2694 27 M 4.4453 8.3993 125.0687 53.6514 33.3976 175.8772 28 A 3.9047 8.4097 129.6627 51.7368 19.9817 175.9688 29 W 3.8205 7.4543 114.7209 57.1771 26.8942 174.3738 30 T 4.4953 6.6333 109.0603 61.6611 70.4670 171.7011 31 Y 5.1817 7.5195 125.0707 55.5670 41.9208 173.9347 32 C 5.1901 8.7447 117.7153 55.6549 42.3277 174.0282 33 E 4.1833 8.9947 119.0388 59.2666 29.3471 177.5302 34 N 4.7741 7.9151 115.1616 52.8460 40.1023 174.0954 35 R 4.5045 8.3929 121.3334 56.3756 30.1319 176.5255 36 N 5.0021 8.0142 112.6895 52.9552 40.3965 173.2105 37 Q 4.8366 7.9830 116.2466 54.2164 32.4109 174.3943 38 K 4.5971 8.7301 123.5855 54.9465 35.3833 175.0306 39 C 4.8201 8.6603 123.7099 56.0227 40.3705 173.2603 40 C 5.1916 8.8123 124.3864 55.4361 42.2356 175.0334 41 E 3.9174 8.7421 121.8418 59.0720 29.6290 176.2572 42 Y 4.3937 7.7176 123.0327 57.7483 39.2721 174.3652 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 I 8.02 3.82 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.03 0.92 0.00 0.00 *3 F 8.29 3.90 0.00 2.97 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 4 F 8.23 3.60 0.00 3.11 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 5 E 8.57 4.53 0.00 2.04 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 2.33 2.35 0.00 6 M 8.42 3.23 0.00 2.39 2.27 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.63 0.00 7 Q 7.54 4.45 0.00 1.70 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.01 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 8 A 7.78 3.18 -0.31 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 9 C 8.18 4.46 0.00 3.21 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 10 W 7.09 4.25 0.00 3.69 3.30 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 11 S 7.58 4.16 0.00 3.50 3.74 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 0.00 0.00 0.00 0.00 12 H 7.80 4.46 0.00 3.21 3.17 0.00 5.96 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 S 7.96 3.76 0.00 4.08 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.48 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 0.00 0.00 0.00 0.00 15 V 8.39 4.67 2.05 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 1.02 0.00 0.00 0.86 0.00 0.00 16 C 8.87 5.40 0.00 2.91 3.20 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 0.00 17 R 8.44 4.71 0.00 1.77 1.97 0.00 3.24 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 18 D 8.42 4.77 0.00 2.78 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 8.74 3.88 0.00 1.74 1.89 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.57 7.81 20 S 7.89 4.59 0.00 3.82 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 21 E 8.05 4.35 0.00 1.98 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 2.23 2.31 0.00 22 R 8.52 4.23 0.00 1.84 1.96 0.00 3.36 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 23 N 7.79 5.03 0.00 2.63 2.69 0.00 0.00 6.71 7.67 0.00 0.00 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 C 7.76 4.90 0.00 2.90 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 25 K 8.34 4.44 0.00 1.76 1.74 0.00 1.77 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.46 7.81 26 P 0.00 4.28 0.00 1.88 2.00 0.00 3.63 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 27 M 8.40 4.45 0.00 1.99 1.94 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 2.48 2.58 0.00 28 A 8.41 3.90 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.45 3.82 0.00 3.36 3.04 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 30 T 6.63 4.50 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 31 Y 7.52 5.18 0.00 3.01 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.74 5.19 0.00 3.07 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 33 E 8.99 4.18 0.00 2.14 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 0.00 2.70 2.38 0.00 34 N 7.92 4.77 0.00 2.70 2.73 0.00 0.00 7.07 7.66 0.00 0.00 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 8.39 4.50 0.00 1.84 1.92 0.00 3.37 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 36 N 8.01 5.00 0.00 2.62 2.72 0.00 0.00 6.85 7.08 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 37 Q 7.98 4.84 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.56 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 38 K 8.73 4.60 0.00 1.74 1.67 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.36 7.81 39 C 8.66 4.82 0.00 3.00 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 40 C 8.81 5.19 0.00 2.92 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 41 E 8.74 3.92 0.00 2.04 2.04 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 2.36 2.27 0.00 42 Y 7.72 4.39 0.00 2.81 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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.