NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8248 8.3549 109.6866 45.3733 0.0000 173.0024 4 Y 4.4775 8.4401 119.6645 54.8841 40.4007 171.5302 5 E 4.4463 8.9502 125.6935 54.3750 32.4116 174.4134 6 N 4.7431 8.5677 124.9915 51.5672 38.5643 173.5506 7 P 4.4431 0.0000 0.0000 65.7240 31.8018 178.3477 8 T 4.7009 8.5529 116.1695 66.1036 68.3628 176.0884 9 Y 4.2328 8.4620 124.4626 61.4796 38.6458 179.1496 10 K 3.9918 8.1613 121.9080 59.1024 31.8323 179.8243 11 F 4.6172 7.8754 114.4226 59.2039 39.1019 175.5848 12 F 4.4253 8.0592 122.3652 57.5250 39.4447 174.7075 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 3 G 8.35 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.44 4.48 0.00 2.99 2.86 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.95 4.45 0.00 1.92 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 6 N 8.57 4.74 0.00 2.90 2.80 0.00 0.00 6.96 7.71 0.00 0.00 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 P 0.00 4.44 0.00 2.42 2.29 0.00 3.91 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 8 T 8.55 4.70 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 9 Y 8.46 4.23 0.00 3.15 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.16 3.99 0.00 1.89 1.72 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.10 7.81 11 F 7.88 4.62 0.00 3.21 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.06 4.43 0.00 2.85 2.81 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