NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4657 8.1933 115.5535 58.4792 64.4886 172.8349 2 C 4.8711 8.4227 119.9912 53.2060 41.5740 172.7967 3 T 4.0610 9.5570 116.3946 62.0443 69.8139 173.5512 4 K 4.5727 8.2306 119.0493 56.1210 32.9692 176.9634 5 S 4.5630 7.8319 112.5945 57.1791 64.8264 173.0044 6 I 4.3261 7.8952 121.6777 58.6570 38.0198 174.1305 7 P 4.5212 0.0000 0.0000 61.4357 32.0718 174.4974 8 P 4.9869 0.0000 0.0000 62.5079 32.4139 175.3343 9 Q 4.8088 8.7435 120.4714 54.4572 31.6331 173.7886 10 C 5.3034 8.8783 120.2384 55.4148 42.9370 173.6599 11 Y 4.2299 8.2943 118.4368 58.2589 37.6162 175.5536 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 S 8.19 4.47 0.00 3.89 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 2 C 8.42 4.87 0.00 3.08 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 T 9.56 4.06 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 4 K 8.23 4.57 0.00 1.73 1.83 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.37 7.81 5 S 7.83 4.56 0.00 4.08 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.90 4.33 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.56 0.91 0.00 0.00 7 P 0.00 4.52 0.00 2.18 2.06 0.00 3.77 0.00 0.00 3.71 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 8 P 0.00 4.99 0.00 2.11 2.10 0.00 3.33 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.85 0.00 9 Q 8.74 4.81 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.88 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 10 C 8.88 5.30 0.00 2.88 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 4.23 0.00 2.88 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00