NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.7176 8.3201 119.3839 57.0134 40.4012 174.5380 2 A 4.0447 8.5139 127.3585 50.3495 18.9623 176.1866 3 T 4.2411 8.4876 111.9054 61.8245 70.9555 172.4536 4 M 4.6634 8.1755 120.3696 54.9597 32.5180 175.0984 5 R 4.3343 8.2366 118.8332 55.7448 31.7259 173.8335 6 Y 4.6708 8.1560 120.7374 54.7435 40.4638 173.6081 7 P 3.5928 0.0000 0.0000 65.1111 30.9632 175.9902 8 S 4.7523 7.3242 111.2023 56.4223 65.9989 174.3666 9 D 4.5803 8.5704 120.0349 57.4152 40.5939 178.3111 10 S 4.6179 7.3625 110.0855 58.7396 64.4722 175.3008 11 D 4.5078 7.8973 121.1856 55.9333 41.2176 176.4340 12 E 4.1614 7.5817 123.7223 56.5777 29.7105 174.8453 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 F 8.32 4.72 0.00 3.09 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 2 A 8.51 4.04 1.31 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 0.00 0.00 3 T 8.49 4.24 4.31 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 1.25 0.00 0.00 4 M 8.18 4.66 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 5 R 8.24 4.33 0.00 1.95 1.86 0.00 3.32 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 6 Y 8.16 4.67 0.00 2.96 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 3.59 0.00 1.95 1.58 0.00 3.77 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.70 0.00 8 S 7.32 4.75 0.00 3.91 3.89 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 0.00 0.00 0.00 0.00 9 D 8.57 4.58 0.00 2.67 2.78 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 S 7.36 4.62 0.00 3.80 3.78 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 D 7.90 4.51 0.00 2.62 2.62 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 E 7.58 4.16 0.00 1.81 1.67 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 2.17 2.28 0.00