NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 C 4.6990 8.4549 120.6395 56.9659 44.1522 173.9190 3 C 4.8976 8.8550 124.4152 55.7920 35.4765 171.8198 4 H 4.9675 8.7556 120.3397 53.4203 33.3772 171.9881 5 P 4.2365 0.0000 0.0000 65.8837 31.4722 178.3754 6 Q 3.9901 8.4218 118.2366 59.0806 29.0711 175.4635 7 C 4.5081 7.9524 109.4895 55.6494 41.8380 173.9306 8 G 3.8868 7.9704 108.1236 45.3983 0.0000 173.5927 9 A 3.9216 7.8714 121.8748 52.0976 18.1522 178.0739 10 A 3.9514 8.4920 126.4435 55.2394 18.8223 177.0723 11 Y 4.9795 7.3688 110.7957 55.7319 42.0758 175.1488 12 S 4.2598 8.7496 116.8809 58.6665 63.6151 175.1390 13 C 4.5083 8.7239 119.0023 57.4897 40.9419 173.5835 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 2 C 8.45 4.70 0.00 2.96 3.10 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 3 C 8.85 4.90 0.00 3.05 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.76 4.97 0.00 3.11 3.08 0.00 5.70 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.24 0.00 2.16 2.07 0.00 3.02 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 6 Q 8.42 3.99 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.22 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 7 C 7.95 4.51 0.00 3.13 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 8 G 7.97 3.89 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 0.00 0.00 0.00 9 A 7.87 3.92 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.49 3.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.37 4.98 0.00 2.94 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 8.75 4.26 0.00 4.00 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 13 C 8.72 4.51 0.00 3.00 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