NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 C 4.6906 8.4549 120.6374 57.0504 43.6835 173.9151 3 C 4.8331 8.6756 125.9896 55.7530 39.4584 172.2109 4 H 4.9215 8.6984 119.8330 53.5770 33.0794 171.7047 5 P 4.2589 0.0000 0.0000 65.9735 31.7401 178.4014 6 Q 3.8631 8.6065 118.9344 59.3477 29.0974 178.3020 7 C 4.6915 7.7270 110.4045 55.2960 40.8640 173.3873 8 G 3.7721 8.7189 106.5446 47.0343 0.0000 174.8192 9 A 3.9945 7.2126 121.0729 52.3796 18.4062 176.8400 10 A 4.4463 7.9145 119.1781 52.5080 21.3575 178.5847 11 Y 5.3131 7.1667 115.2028 55.8939 41.2806 175.0419 12 S 4.5535 8.4853 115.4773 59.4193 64.5887 174.7466 13 C 4.4303 8.3852 116.9074 57.8710 41.9821 174.0210 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 4.69 0.00 2.95 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 3 C 8.68 4.83 0.00 3.07 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 8.70 4.92 0.00 3.11 3.06 0.00 5.71 0.00 0.00 0.00 0.00 6.75 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 4.26 0.00 2.20 2.13 0.00 3.17 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 6 Q 8.61 3.86 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.24 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 7 C 7.73 4.69 0.00 3.14 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 8.72 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.21 3.99 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.91 4.45 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 7.17 5.31 0.00 2.90 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 8.49 4.55 0.00 3.99 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 8.39 4.43 0.00 2.95 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00