NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.9514 8.4393 118.1040 57.1765 42.6459 172.6269 2 T 4.5590 8.4452 111.1309 59.1547 71.7820 171.5651 3 W 4.6737 9.7446 127.5503 56.6722 30.2184 177.0802 4 E 4.5572 9.4215 125.3472 54.4751 30.2815 175.9346 5 P 4.3122 0.0000 0.0000 65.7018 31.5197 177.5765 6 D 4.3252 8.0694 117.6367 54.8371 39.9606 176.4769 7 G 4.1301 9.1691 108.4236 45.3667 0.0000 173.5309 8 K 4.6204 7.8299 118.6756 54.7763 36.4075 175.5941 9 L 3.5766 8.1183 129.9724 54.5282 42.1601 175.7769 10 T 4.3221 8.5162 125.0187 62.1741 70.1031 174.9780 11 C 4.3570 8.5562 123.2541 56.9829 41.5286 173.7734 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 8.44 4.95 0.00 2.71 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 2 T 8.45 4.56 4.26 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 1.21 0.00 0.00 3 W 9.74 4.67 0.00 3.20 3.15 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 E 9.42 4.56 0.00 2.12 1.98 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 2.48 2.40 0.00 5 P 0.00 4.31 0.00 2.20 2.21 0.00 3.82 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 6 D 8.07 4.33 0.00 2.82 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 7 G 9.17 4.13 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 8 K 7.83 4.62 0.00 1.94 1.71 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.41 7.81 9 L 8.12 3.58 0.00 0.27 0.86 -0.04 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 10 T 8.52 4.32 4.17 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 1.17 0.00 0.00 11 C 8.56 4.36 0.00 2.87 2.91 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