NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 Q 4.3420 8.2033 119.6837 56.2377 31.0178 177.8268 6 C 5.0163 7.8410 114.7163 58.0066 40.6817 172.9440 7 C 4.4776 7.8429 115.8737 59.6390 29.1645 173.3769 8 T 4.4332 7.7905 109.7670 62.2215 70.4529 174.6280 9 S 4.7468 8.4907 118.1088 55.7305 65.5813 173.3202 10 I 4.0550 8.3379 124.9216 61.0907 38.3897 175.4867 11 C 5.1176 8.5222 125.0572 55.0693 41.1090 174.6332 12 S 4.5146 8.8836 120.0962 57.9050 64.7996 175.3143 13 L 4.0350 8.4931 122.3343 58.1770 41.1079 179.0790 14 Y 4.0765 8.0919 118.0869 60.9148 39.1626 177.8130 15 Q 4.1949 8.0608 118.9278 59.0993 28.8780 178.8638 16 L 4.3555 8.0920 119.6984 57.4829 41.5126 179.1192 17 E 4.0000 8.2154 118.8012 59.2285 29.1045 178.3227 18 N 4.4255 7.7653 113.9767 54.4282 38.6176 174.9850 19 Y 4.4717 7.6284 117.1273 57.6814 38.7280 175.6281 20 C 4.4742 7.6098 118.0931 58.8885 29.1694 173.5400 21 N 4.5103 8.6184 118.7372 53.7706 38.0888 175.1378 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 5 Q 8.20 4.34 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.89 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 6 C 7.84 5.02 0.00 2.95 3.09 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 0.00 7 C 7.84 4.48 0.00 2.92 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 8 T 7.79 4.43 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 1.20 0.00 0.00 9 S 8.49 4.75 0.00 3.83 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 10 I 8.34 4.06 1.88 0.00 0.00 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 1.43 0.75 0.92 0.00 0.00 11 C 8.52 5.12 0.00 2.99 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 12 S 8.88 4.51 0.00 4.13 4.05 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 0.00 0.00 0.00 0.00 13 L 8.49 4.03 0.00 1.81 1.83 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.09 4.08 0.00 2.96 3.02 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 0.00 0.00 0.00 15 Q 8.06 4.19 0.00 2.46 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.55 2.62 0.00 16 L 8.09 4.36 0.00 1.90 1.78 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.22 4.00 0.00 1.97 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 2.41 2.44 0.00 18 N 7.77 4.43 0.00 2.48 2.39 0.00 0.00 6.87 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 7.63 4.47 0.00 3.09 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 20 C 7.61 4.47 0.00 2.90 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 21 N 8.62 4.51 0.00 2.71 2.73 0.00 0.00 6.81 7.56 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