NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.6147 8.4544 118.1612 56.7157 42.3470 173.8253 2 S 4.3449 8.0328 112.7913 57.1410 62.0463 170.8153 3 A 4.6801 8.1540 121.7746 50.2797 23.0753 175.8322 4 R 4.2480 8.3633 118.4795 56.7841 30.2717 176.3580 5 G 3.6832 8.4572 112.1565 45.5201 0.0000 174.2432 6 L 4.4773 7.2209 118.6271 54.1151 42.7059 176.4669 7 E 4.0246 8.2648 118.2104 57.5911 29.8418 176.1774 8 N 4.2012 8.6805 119.6189 55.0942 37.4055 173.1919 9 H 4.9203 7.9199 112.3147 53.2853 30.9864 176.4943 10 R 3.9784 8.5534 119.9666 59.2755 29.5936 178.0066 11 M 4.1372 8.0100 115.4440 58.2572 31.6184 176.7695 12 C 4.3828 7.6102 121.7160 56.5506 41.3631 173.8092 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 4.61 0.00 2.97 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.03 4.34 0.00 3.90 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.15 4.68 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.36 4.25 0.00 1.79 1.89 0.00 3.24 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 5 G 8.46 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 6 L 7.22 4.48 0.00 1.66 1.52 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.26 4.02 0.00 1.98 1.90 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 2.33 2.25 0.00 8 N 8.68 4.20 0.00 2.83 2.88 0.00 0.00 6.97 7.89 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 9 H 7.92 4.92 0.00 3.37 3.18 0.00 5.68 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.55 3.98 0.00 1.91 2.06 0.00 3.03 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 11 M 8.01 4.14 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.59 0.00 12 C 7.61 4.38 0.00 2.93 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00