NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 3.9844 8.3149 121.7906 56.0562 33.8205 176.4268 2 Y 4.5307 7.7950 111.9466 55.9671 38.6057 174.7744 3 Y 4.4566 7.9217 119.0929 59.0661 40.0068 175.3759 4 G 3.8588 6.9781 108.1162 45.0894 0.0000 171.3287 5 N 4.1259 8.7594 117.3296 56.2932 39.0131 176.6828 6 G 4.0012 7.4019 104.0242 44.6870 0.0000 173.8564 7 V 3.3309 7.3930 119.7294 64.6147 30.9090 176.3065 8 H 3.8780 6.8805 122.1398 55.3490 27.0054 173.8029 9 C 4.6850 7.9781 124.8832 55.1982 41.4371 171.3394 10 G 3.5517 8.0825 113.3846 46.3955 0.0000 171.1898 11 K 3.7632 8.6666 119.0986 56.7717 30.2000 177.4535 12 H 4.3254 8.0807 116.3507 57.1871 27.7954 176.0112 13 S 4.2247 8.0182 111.3027 58.7572 63.6351 174.0464 14 C 4.2471 8.0371 119.2833 56.4752 36.2731 173.3207 15 T 3.6442 8.0938 113.7783 62.3075 67.6861 172.3056 16 V 3.0198 7.7507 125.0944 62.1996 32.5298 172.5173 17 D 4.3717 8.0037 123.4226 55.1893 39.5667 177.1348 18 W 4.4319 8.0195 116.5136 57.8083 28.3613 178.4876 19 G 3.7716 7.5417 103.8789 48.5097 0.0000 175.7619 20 T 3.8528 7.8965 114.8218 63.8330 67.7316 176.7998 21 A 3.8749 7.9059 122.4992 55.3021 18.4929 179.5197 22 I 3.3878 7.5885 118.0814 64.0376 36.9856 178.8246 23 G 3.6269 8.2451 106.8873 47.9275 0.0000 175.1184 24 N 4.3201 8.2502 120.2939 56.1987 38.8744 176.6023 25 I 3.6800 7.7772 121.3626 64.6059 37.2877 178.5881 26 G 3.5192 8.2267 106.4460 47.6214 0.0000 175.0296 27 N 4.3233 8.3016 119.3468 56.8626 39.0130 176.7730 28 N 4.6378 8.5496 117.0448 55.4732 38.6308 177.3543 29 A 4.2129 8.4945 122.9244 55.3210 18.2719 179.4946 30 A 3.9981 7.7569 117.0986 55.2818 18.5275 179.4342 31 A 4.1857 8.0081 118.3560 54.5267 18.9198 177.9053 32 N 4.8835 8.7132 113.2149 53.1861 40.9744 175.6626 33 W 4.0675 8.3837 116.4589 57.8953 29.2723 177.7252 34 A 4.0309 8.1659 121.8276 55.2413 17.8051 178.4714 35 T 3.9851 7.8605 103.7588 61.9654 69.2213 175.8479 36 G 3.5424 7.9317 110.8036 45.4225 0.0000 173.5307 37 G 2.0000 6.8736 105.0466 45.0735 0.0000 174.6699 38 N 4.0518 7.8153 119.0679 55.6943 39.5226 175.2147 39 A 4.1061 8.1321 119.1338 53.6761 20.0119 177.5408 40 G 3.5020 7.8659 100.3835 43.9004 0.0000 172.2428 41 W 4.5292 8.1695 116.0563 55.3491 29.2335 174.0527 42 N 4.2220 9.1209 117.4739 52.7357 35.6295 174.9170 43 K 4.2225 8.5682 122.1646 56.7612 32.1991 177.3906 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 K 8.31 3.98 0.00 1.54 1.63 0.00 1.21 0.00 0.00 1.32 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.74 0.21 7.81 2 Y 7.79 4.53 0.00 3.12 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.92 4.46 0.00 3.03 3.12 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 4 G 6.98 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 5 N 8.76 4.13 0.00 2.62 2.74 0.00 0.00 6.44 7.89 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 6 G 7.40 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.39 3.33 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 0.01 0.00 0.00 0.62 0.00 0.00 8 H 6.88 3.88 0.00 3.37 3.42 0.00 5.59 0.00 0.00 0.00 0.00 6.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 C 7.98 4.69 0.00 2.79 2.89 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 10 G 8.08 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.67 3.76 0.00 1.90 1.93 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.51 7.81 12 H 8.08 4.33 0.00 3.31 3.44 0.00 5.70 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.02 4.22 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.04 4.25 0.00 3.12 3.23 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 0.00 15 T 8.09 3.64 4.25 0.00 0.00 0.00 0.00 0.00 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 16 V 7.75 3.02 0.87 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 -0.69 0.00 0.00 0.52 0.00 0.00 17 D 8.00 4.37 0.00 2.80 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 18 W 8.02 4.43 0.00 3.34 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.54 3.77 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 0.00 0.00 0.00 20 T 7.90 3.85 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 1.19 0.00 0.00 21 A 7.91 3.87 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 22 I 7.59 3.39 1.72 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 -0.36 0.61 0.00 0.00 23 G 8.25 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 0.00 0.00 0.00 24 N 8.25 4.32 0.00 2.77 3.04 0.00 0.00 7.35 7.71 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 25 I 7.78 3.68 1.62 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.17 0.20 0.00 0.00 26 G 8.23 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.30 4.32 0.00 2.87 3.04 0.00 0.00 7.25 6.32 0.00 0.00 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 N 8.55 4.64 0.00 3.21 3.15 0.00 0.00 7.45 6.92 0.00 0.00 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 A 8.49 4.21 1.28 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 0.00 0.00 0.00 30 A 7.76 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.01 4.19 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.71 4.88 0.00 2.70 2.96 0.00 0.00 7.19 8.46 0.00 0.00 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 W 8.38 4.07 0.00 3.72 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.17 4.03 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 35 T 7.86 3.99 4.09 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 0.00 0.00 1.13 0.00 0.00 36 G 7.93 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 6.87 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 0.00 0.00 0.00 0.00 0.00 0.00 38 N 7.82 4.05 0.00 2.47 2.69 0.00 0.00 6.80 8.68 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 39 A 8.13 4.11 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.87 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 0.00 0.00 0.00 41 W 8.17 4.53 0.00 3.58 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 9.12 4.22 0.00 2.94 3.05 0.00 0.00 7.29 7.20 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 43 K 8.57 4.22 0.00 1.80 1.78 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.52 7.81