NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.6328 8.4501 115.4484 55.1463 43.1952 173.7111 2 A 3.8874 8.6428 125.5468 54.9944 18.4673 176.9943 3 N 4.6535 7.7177 112.0013 52.2495 40.4181 172.1925 4 P 4.2876 0.0000 0.0000 65.7045 31.6432 177.1526 5 A 4.3641 7.5976 123.3698 50.9491 16.9345 177.2432 6 C 4.3943 8.0850 118.0352 56.9203 41.2750 175.0211 7 G 3.7511 7.1627 105.6353 45.5878 0.0000 172.2018 8 R 4.3008 8.5739 120.0355 55.3006 28.8389 174.1332 9 H 4.6771 7.9103 123.9323 56.4072 32.6728 171.7130 10 Y 4.3786 7.8883 120.6041 56.5384 40.0939 175.7211 11 S 4.1234 7.9333 120.2551 58.3154 62.4734 173.4277 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 8.45 4.63 0.00 3.09 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 2 A 8.64 3.89 1.32 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 3 N 7.72 4.65 0.00 2.71 2.76 0.00 0.00 6.91 8.02 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 4 P 0.00 4.29 0.00 2.18 2.18 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 5 A 7.60 4.36 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 6 C 8.08 4.39 0.00 2.98 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 7 G 7.16 3.75 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 8 R 8.57 4.30 0.00 1.79 1.89 0.00 3.18 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 9 H 7.91 4.68 0.00 3.12 3.16 0.00 5.77 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 7.89 4.38 0.00 2.97 2.89 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 11 S 7.93 4.12 0.00 3.70 3.45 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