NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9145 8.3549 109.7344 45.6288 0.0000 172.6548 2 C 5.0045 8.3619 122.9231 52.4958 41.9269 169.1082 3 C 4.8051 8.6715 121.7578 54.6194 40.0360 176.3538 4 S 4.3455 8.9322 114.5147 57.8580 62.8693 173.7662 5 D 4.6006 9.1778 124.7776 57.2953 41.1436 177.3117 6 A 4.2616 8.0669 120.1219 54.2613 18.4703 176.9042 7 R 4.4450 7.6005 111.8982 57.8446 32.5894 175.3453 8 C 4.4336 7.9343 116.8151 56.0818 40.7138 173.1429 9 A 4.1164 8.2198 126.3597 51.5845 18.8103 178.3456 10 W 4.5378 7.6806 116.2109 57.6521 29.4410 177.2558 11 R 4.2132 7.0854 118.4359 55.8081 30.0390 176.9687 12 C 4.4757 8.5246 119.5149 57.2603 42.3765 173.8391 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 G 8.35 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 0.00 0.00 0.00 2 C 8.36 5.00 0.00 2.97 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 8.67 4.81 0.00 2.96 2.45 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 4 S 8.93 4.35 0.00 3.96 4.08 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.18 4.60 0.00 2.70 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 6 A 8.07 4.26 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.60 4.44 0.00 1.75 1.90 0.00 3.35 0.00 0.00 3.17 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 8 C 7.93 4.43 0.00 2.94 3.24 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 0.00 9 A 8.22 4.12 1.05 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 0.00 0.00 10 W 7.68 4.54 0.00 3.37 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.09 4.21 0.00 1.56 1.82 0.00 2.99 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.21 0.00 12 C 8.52 4.48 0.00 2.90 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00