NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.0696 8.0244 114.2632 61.4545 39.0211 176.7096 2 C 4.4307 8.4796 120.3434 55.5316 45.1027 170.9492 3 C 4.4464 8.0744 129.8559 53.2918 42.9059 171.9968 4 N 5.0677 7.0676 118.7514 51.7314 42.2923 173.2715 5 P 4.3210 0.0000 0.0000 65.4943 31.6546 178.3122 6 A 4.1535 8.3824 120.2455 54.6472 18.5913 178.0086 7 C 4.4737 8.6955 114.1052 57.9186 41.3826 175.3532 8 G 3.6450 7.9570 108.5884 45.8367 0.0000 175.9335 9 P 4.4017 0.0000 0.0000 64.5657 31.0390 176.8733 10 K 4.2537 7.9611 117.3412 56.7752 32.3469 176.3037 11 Y 4.2485 7.7589 121.7119 58.4323 39.1836 175.5730 12 S 4.5296 7.8768 117.6932 57.6162 66.7912 174.4992 13 C 4.5609 8.6331 122.7252 57.0788 41.4666 173.8783 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 I 8.02 4.07 1.95 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.05 0.87 0.00 0.00 2 C 8.48 4.43 0.00 2.88 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 3 C 8.07 4.45 0.00 2.88 2.87 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.07 5.07 0.00 2.72 2.61 0.00 0.00 7.07 7.73 0.00 0.00 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 P 0.00 4.32 0.00 2.24 2.05 0.00 3.74 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.15 0.00 6 A 8.38 4.15 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 7 C 8.70 4.47 0.00 3.21 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.40 0.00 2.21 2.21 0.00 3.92 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 10 K 7.96 4.25 0.00 1.93 1.89 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.39 7.81 11 Y 7.76 4.25 0.00 3.15 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 12 S 7.88 4.53 0.00 3.88 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 8.63 4.56 0.00 2.81 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00