NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 C 4.7214 8.4549 120.6462 56.8144 44.4181 174.0735 3 C 4.5646 8.8810 122.9137 55.8395 39.8829 171.9449 4 H 4.8366 8.7250 121.7901 53.7586 31.6431 173.5160 5 P 4.2546 0.0000 0.0000 65.6833 31.8705 177.6630 6 Q 4.1185 8.6798 119.3030 59.3307 29.0850 176.3660 7 C 4.5035 7.9185 109.2724 55.3951 41.4418 173.2963 8 G 3.6846 7.7975 106.2484 47.2982 0.0000 176.3848 9 A 4.3017 7.7547 122.5439 52.0793 16.0521 178.0410 10 A 4.0429 7.6272 123.6292 52.2062 18.8094 176.9810 11 Y 4.9194 7.5870 116.3161 57.6213 41.5198 175.4389 12 S 4.6354 8.5989 114.7598 56.9385 64.1293 174.8765 13 C 4.4485 8.7828 121.8740 57.0541 41.1326 173.8608 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 4.72 0.00 2.99 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 3 C 8.88 4.56 0.00 3.07 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 4 H 8.73 4.84 0.00 3.17 3.15 0.00 5.69 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 4.25 0.00 2.03 2.09 0.00 3.18 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.03 0.00 6 Q 8.68 4.12 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 7.17 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 7 C 7.92 4.50 0.00 3.15 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 7.80 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.75 4.30 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.63 4.04 0.94 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 11 Y 7.59 4.92 0.00 2.99 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 8.60 4.64 0.00 3.96 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 13 C 8.78 4.45 0.00 3.00 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