NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1366 8.2549 120.8014 56.2690 32.1581 176.6597 2 Q 3.8296 8.0336 116.2515 57.2420 28.8423 175.3564 3 I 3.3551 7.3236 116.4695 62.2577 38.0772 173.8822 4 K 4.6158 8.6659 118.0250 57.9522 34.7041 179.1318 5 I 3.6328 8.0156 119.0931 63.7732 36.8196 178.3253 6 W 3.7288 8.4467 119.5009 59.7497 28.8968 178.0118 7 F 3.5812 7.8202 117.2604 61.0072 38.7893 176.3369 8 R 4.1015 7.6581 115.9175 57.9319 30.1386 176.9339 9 K 3.7496 8.2035 118.6820 55.6521 32.5562 178.4052 10 W 5.2190 7.3560 122.2516 56.8792 27.4793 178.9480 11 K 4.3583 9.4314 122.9838 56.6504 31.8733 175.7614 12 K 4.4545 8.4125 124.3574 57.9773 31.8229 176.5183 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 R 8.25 4.14 0.00 1.67 1.94 0.00 3.20 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.65 0.00 2 Q 8.03 3.83 0.00 2.26 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.56 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 3 I 7.32 3.36 1.68 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.90 0.88 0.00 0.00 4 K 8.67 4.62 0.00 1.99 1.86 0.00 1.73 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.55 7.81 5 I 8.02 3.63 0.98 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.12 0.48 0.00 0.00 6 W 8.45 3.73 0.00 3.52 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 7 F 7.82 3.58 0.00 3.27 3.44 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 R 7.66 4.10 0.00 2.14 1.94 0.00 3.37 0.00 0.00 3.37 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 9 K 8.20 3.75 0.00 0.79 0.74 0.00 0.89 0.00 0.00 1.21 0.00 0.00 2.80 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.99 0.83 7.81 10 W 7.36 5.22 0.00 3.33 2.34 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 K 9.43 4.36 0.00 1.82 1.83 0.00 1.68 0.00 0.00 1.82 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.43 7.81 12 K 8.41 4.45 0.00 2.03 1.96 0.00 1.94 0.00 0.00 1.98 0.00 0.00 3.22 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.71 1.71 7.81