NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 C 4.7928 8.4393 118.1689 56.5953 41.6839 173.2232 3 T 3.9038 8.5889 112.3404 61.3632 69.4270 173.2900 4 A 4.3758 8.1527 126.5200 52.0584 18.4779 177.7468 5 S 4.8071 7.5539 116.8028 56.1138 66.7900 173.5901 6 I 4.6071 8.0756 121.4567 58.7356 38.7961 174.1804 7 P 4.5326 0.0000 0.0000 61.3832 32.2265 174.2855 8 P 4.7284 0.0000 0.0000 62.6205 31.8799 175.5347 9 Q 4.6762 8.7220 123.9924 54.5136 32.9044 174.1877 10 C 5.3580 8.7734 120.7822 55.3965 43.4639 173.6983 11 Y 4.0268 8.5949 118.0945 58.2305 37.7408 175.7483 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 8.44 4.79 0.00 3.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 8.59 3.90 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 4 A 8.15 4.38 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.55 4.81 0.00 3.98 3.96 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 4.61 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.95 0.91 0.00 0.00 7 P 0.00 4.53 0.00 2.18 2.04 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 8 P 0.00 4.73 0.00 1.96 2.05 0.00 3.67 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.94 0.00 9 Q 8.72 4.68 0.00 2.07 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 10 C 8.77 5.36 0.00 2.87 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 8.59 4.03 0.00 2.92 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