NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.0771 8.4293 121.4779 56.1570 30.8816 175.3682 2 T 4.3455 7.5713 112.5929 59.5286 71.6355 174.7064 3 F 4.4050 9.0393 123.9482 61.6551 39.7540 177.9618 4 E 3.7801 8.3686 118.3131 59.6257 29.1422 178.1365 5 H 3.9172 7.8521 116.6545 59.0345 30.0614 176.9209 6 W 4.6103 7.9592 120.7461 59.6689 28.9177 178.3821 7 W 3.9537 8.4857 129.0278 60.2748 29.9125 178.0002 8 S 4.3207 8.2604 112.9430 60.4695 62.5828 175.3334 9 Q 4.2594 7.3943 120.3596 55.2653 29.0388 175.8803 10 L 3.9545 6.8393 120.6178 53.9338 42.2357 176.8725 11 L 4.0932 8.1553 123.4474 54.8373 41.5528 177.0304 12 S 4.3003 8.3911 120.1043 58.3162 63.0732 174.0023 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 E 8.43 4.08 0.00 1.48 1.27 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 1.47 1.49 0.00 2 T 7.57 4.35 4.30 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 1.20 0.00 0.00 3 F 9.04 4.41 0.00 3.32 3.22 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 0.00 4 E 8.37 3.78 0.00 2.13 1.95 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 2.38 2.41 0.00 5 H 7.85 3.92 0.00 3.01 3.01 0.00 6.01 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 W 7.96 4.61 0.00 3.54 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 7 W 8.49 3.95 0.00 2.68 2.76 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 S 8.26 4.32 0.00 4.03 4.08 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 Q 7.39 4.26 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.97 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 10 L 6.84 3.95 0.00 1.26 1.22 -0.25 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.16 4.09 0.00 1.52 1.53 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.39 4.30 0.00 3.96 3.69 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