NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2991 8.3149 119.9975 56.9454 33.8601 173.8780 2 T 4.3663 8.3109 114.8035 60.8438 71.4621 171.7902 3 T 4.6205 8.6294 116.2125 59.6433 72.5826 172.5845 4 Q 4.4733 8.3552 123.4492 54.3426 30.1914 175.5874 5 S 4.5119 8.4856 120.1750 57.9081 64.4439 173.7151 6 T 4.3668 8.0698 111.3264 60.5618 70.0218 175.7155 7 L 3.8215 8.3387 124.9201 57.9950 42.3367 177.9075 8 D 4.7622 7.9032 115.5943 53.6845 39.3276 177.0841 9 S 4.2226 7.7597 116.2681 60.1120 63.1778 174.9129 10 F 4.6618 7.7147 117.8462 58.1638 40.5031 175.7605 11 F 5.2072 7.9687 117.7559 57.8919 39.3778 175.7909 12 K 4.2510 8.0367 125.5566 56.7083 32.7626 176.3489 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 K 8.31 4.30 0.00 1.88 1.94 0.00 1.48 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.47 7.81 2 T 8.31 4.37 4.24 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 T 8.63 4.62 4.24 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 4 Q 8.36 4.47 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.09 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 5 S 8.49 4.51 0.00 4.15 3.95 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 0.00 0.00 0.00 6 T 8.07 4.37 4.23 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 7 L 8.34 3.82 0.00 1.64 1.59 0.53 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 8 D 7.90 4.76 0.00 2.83 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 9 S 7.76 4.22 0.00 3.50 3.41 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 F 7.71 4.66 0.00 2.74 3.18 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 F 7.97 5.21 0.00 3.00 3.02 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 K 8.04 4.25 0.00 1.80 1.64 0.00 1.89 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.47 7.81