NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.7500 8.4549 115.5915 55.3625 41.7115 172.6140 2 K 4.3740 8.4795 119.3196 54.8958 34.4252 174.4434 3 G 4.1039 8.4680 108.4877 43.8798 0.0000 172.6926 4 K 4.0561 8.7704 121.7647 57.0826 32.7166 176.2201 5 G 3.9126 8.5448 108.6846 46.4370 0.0000 174.4593 6 A 4.3623 7.9592 120.0472 51.1323 18.1173 176.4655 7 K 3.7724 7.4561 123.6606 57.0149 33.8135 173.2781 8 C 5.1543 7.6825 115.5311 56.2329 46.8302 171.1430 9 S 4.0764 8.4599 116.4816 57.7029 62.6251 175.7572 10 R 4.2060 8.5898 121.1982 55.6955 30.0404 173.3203 11 L 3.1509 8.3276 127.5331 55.2190 39.2005 172.7747 12 M 4.1831 6.8944 118.6062 54.9187 35.3694 175.5036 13 Y 3.7531 7.4882 112.2516 59.7155 34.5045 169.2101 14 D 4.8812 7.6706 118.7172 54.6877 43.7222 177.9362 15 C 4.5019 8.2750 116.7443 57.4401 40.5073 175.3046 16 C 3.8341 9.7205 125.8392 59.8455 43.5728 174.2239 17 T 4.5678 6.9932 112.5180 58.3270 68.2049 173.2888 18 G 3.9438 6.9077 110.4510 44.5810 0.0000 167.7456 19 S 4.8645 7.7414 116.0142 57.1303 66.0581 173.4548 20 C 4.5942 8.7599 119.7559 57.4426 36.5381 172.9999 21 R 4.4693 9.5562 127.0417 55.3772 30.8855 175.7676 22 S 3.5314 9.4628 121.9590 59.7758 60.1929 172.9108 23 G 3.9429 8.4508 109.2579 45.2062 0.0000 173.6484 24 K 4.7770 7.3696 118.6441 54.3038 35.2894 175.7394 25 C 4.5763 8.6148 115.6160 57.8163 41.2315 173.8739 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 C 8.45 4.75 0.00 3.10 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.48 4.37 0.00 1.78 1.76 0.00 1.52 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.51 7.81 3 G 8.47 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.77 4.06 0.00 1.72 1.77 0.00 1.95 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.43 7.81 5 G 8.54 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.96 4.36 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.46 3.77 0.00 1.82 1.76 0.00 1.87 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.35 7.81 8 C 7.68 5.15 0.00 3.06 2.90 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 9 S 8.46 4.08 0.00 3.74 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.59 4.21 0.00 1.72 1.78 0.00 3.33 0.00 0.00 3.13 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 11 L 8.33 3.15 0.00 1.70 1.64 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 12 M 6.89 4.18 0.00 2.29 1.91 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 13 Y 7.49 3.75 0.00 3.23 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 14 D 7.67 4.88 0.00 2.75 2.67 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 15 C 8.28 4.50 0.00 3.20 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 16 C 9.72 3.83 0.00 2.92 3.13 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 17 T 6.99 4.57 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 18 G 6.91 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 19 S 7.74 4.86 0.00 3.86 3.87 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 20 C 8.76 4.59 0.00 2.90 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 21 R 9.56 4.47 0.00 1.65 1.92 0.00 3.21 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 22 S 9.46 3.53 0.00 4.06 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 23 G 8.45 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.37 4.78 0.00 1.81 1.82 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.54 7.81 25 C 8.61 4.58 0.00 3.12 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