NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.6627 8.4393 115.4506 55.4155 41.2119 173.8680 2 T 4.2014 8.0293 112.7197 59.8895 71.1554 172.2213 3 E 3.8829 8.9036 122.4498 59.7069 29.6917 180.3506 4 R 3.8898 7.8649 116.4078 59.6771 30.5372 177.7453 5 M 4.1829 8.0055 118.1444 58.4522 32.0451 178.2202 6 A 4.0058 8.2993 121.1454 55.6459 18.3324 179.7964 7 L 4.0438 8.1329 115.2405 57.1583 41.7128 178.3306 8 H 4.6114 7.9904 114.2198 54.4220 29.9212 173.9485 9 N 4.2670 8.1625 116.8252 55.0281 35.6161 174.2713 10 L 4.8307 7.6768 111.2786 54.7569 43.4698 178.0300 11 C 4.4550 8.3246 121.5899 57.2779 41.3332 173.7570 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 8.44 4.66 0.00 3.10 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 2 T 8.03 4.20 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 1.21 0.00 0.00 3 E 8.90 3.88 0.00 2.05 2.01 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 2.39 2.39 0.00 4 R 7.86 3.89 0.00 1.86 1.96 0.00 3.32 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 5 M 8.01 4.18 0.00 2.13 2.25 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.57 0.00 6 A 8.30 4.01 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.13 4.04 0.00 1.67 1.66 0.90 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 8 H 7.99 4.61 0.00 3.10 3.34 0.00 5.96 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.16 4.27 0.00 2.91 2.93 0.00 0.00 6.70 7.17 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 10 L 7.68 4.83 0.00 1.75 1.62 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 11 C 8.32 4.46 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