NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.2935 8.2431 119.7175 56.6310 31.5747 174.4481 4 G 4.0858 8.8118 107.0149 45.2806 0.0000 172.0320 5 Y 5.2591 8.2470 116.0678 56.5481 42.2088 172.7540 6 Y 4.5392 9.3667 122.6880 59.2192 40.7098 175.5659 7 H 4.6338 8.6001 111.0364 56.1249 30.8458 174.3652 8 G 4.1204 9.0327 108.8495 45.6378 0.0000 171.1491 9 I 4.6156 7.6835 120.0192 58.9629 40.3402 174.2627 10 W 4.4052 8.6677 133.9495 55.9967 31.0816 175.9310 11 V 3.8240 7.9011 118.8940 59.8965 33.3993 176.3288 12 G 3.4306 6.7422 106.1433 44.0006 0.0000 173.5955 13 E 4.0865 8.3695 118.9738 56.4142 29.5438 177.0170 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 3 R 8.24 4.29 0.00 1.86 1.99 0.00 3.15 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 4 G 8.81 4.09 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 5 Y 8.25 5.26 0.00 2.88 3.00 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 6 Y 9.37 4.54 0.00 2.73 2.84 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 H 8.60 4.63 0.00 3.34 3.25 0.00 5.99 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 G 9.03 4.12 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 9 I 7.68 4.62 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.28 0.93 0.00 0.00 10 W 8.67 4.41 0.00 2.71 2.80 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 V 7.90 3.82 1.90 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 0.73 0.00 0.00 0.81 0.00 0.00 12 G 6.74 3.43 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 13 E 8.37 4.09 0.00 1.98 1.88 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 2.39 2.37 0.00