NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2755 8.3044 120.3265 53.9406 34.5264 174.2949 2 D 4.1707 8.0646 116.9951 52.9386 38.8126 171.4745 3 P 4.4223 0.0000 0.0000 65.0993 33.3133 177.5528 4 N 4.4467 8.3440 116.7287 55.3467 37.1770 174.3948 5 C 4.8836 7.5880 110.9940 56.1491 33.2975 173.1650 6 S 4.7752 8.1277 113.2181 58.1400 63.0421 175.1934 7 C 4.2805 7.8937 117.5483 61.0399 29.5415 174.4132 8 S 4.7280 8.2533 109.2973 57.1010 60.4791 170.5056 9 T 4.8205 8.6570 108.6214 64.7698 76.2080 174.9582 10 G 4.1295 7.8427 100.8288 47.0982 0.0000 173.9195 11 G 3.8464 8.9581 111.0747 46.2247 0.0000 173.0907 12 S 4.7629 7.7364 114.7591 55.6912 65.2189 173.2893 13 C 4.6267 8.7521 119.2215 57.5960 32.0066 174.9689 14 T 3.2076 8.1433 119.6824 61.2375 65.2154 171.8084 15 C 4.0305 8.5846 121.2186 61.2054 27.1749 172.8415 16 T 4.4012 7.5686 112.7356 61.6448 68.0229 177.3931 17 S 4.2637 9.2870 114.3852 60.6343 63.2461 174.3019 18 S 4.5722 7.7473 112.9444 56.4096 65.0614 172.0766 19 C 4.7069 8.6847 126.8277 57.6951 33.4902 173.4160 20 A 4.9610 8.3433 128.4150 52.4762 19.9958 176.2893 21 C 4.8970 7.5127 124.6406 60.5924 28.8408 174.8171 22 K 4.4018 8.7481 126.0661 58.2461 33.2458 174.9079 23 N 4.6830 7.6963 113.7073 54.5942 40.9125 174.4469 24 C 4.1058 7.6956 109.6654 60.2106 28.6425 174.0115 25 K 4.5815 8.1833 123.1430 55.5754 31.7605 175.3719 26 C 4.7581 7.3983 122.7259 60.1156 28.4444 175.4984 27 T 4.1432 8.1878 118.2657 63.6128 69.3249 174.2449 28 S 4.3980 8.0050 118.2011 58.1921 63.1967 175.2692 29 C 4.2828 7.8055 116.9483 61.9851 28.4922 173.3967 30 K 4.0504 7.5916 124.3463 57.0438 31.5805 175.1638 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 4.28 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 2 D 8.06 4.17 0.00 2.86 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.42 0.00 2.22 2.17 0.00 3.83 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 4 N 8.34 4.45 0.00 2.83 2.99 0.00 0.00 5.81 7.83 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 5 C 7.59 4.88 0.00 3.03 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 6 S 8.13 4.78 0.00 3.82 3.81 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 0.00 0.00 0.00 7 C 7.89 4.28 0.00 2.96 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 8 S 8.25 4.73 0.00 3.89 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.66 4.82 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 10 G 7.84 4.13 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 0.00 0.00 0.00 11 G 8.96 3.85 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 0.00 0.00 0.00 12 S 7.74 4.76 0.00 3.79 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 C 8.75 4.63 0.00 3.08 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 14 T 8.14 3.21 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 15 C 8.58 4.03 0.00 3.12 2.96 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 16 T 7.57 4.40 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 17 S 9.29 4.26 0.00 3.88 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 18 S 7.75 4.57 0.00 3.76 3.67 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 0.00 0.00 0.00 0.00 19 C 8.68 4.71 0.00 2.95 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 20 A 8.34 4.96 1.24 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 21 C 7.51 4.90 0.00 2.92 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 0.00 0.00 0.00 0.00 22 K 8.75 4.40 0.00 1.70 1.79 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.39 7.81 23 N 7.70 4.68 0.00 2.64 2.71 0.00 0.00 7.12 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 24 C 7.70 4.11 0.00 3.15 3.07 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 0.00 25 K 8.18 4.58 0.00 1.69 1.72 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.43 7.81 26 C 7.40 4.76 0.00 2.96 1.87 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 27 T 8.19 4.14 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 28 S 8.00 4.40 0.00 3.85 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 7.81 4.28 0.00 3.00 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 30 K 7.59 4.05 0.00 1.66 1.60 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.41 7.81