NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.4311 8.2993 120.1395 55.7832 34.1312 177.7125 2 W 4.0241 8.7570 121.3636 54.2415 28.6458 171.9915 3 Y 4.4364 8.1037 112.4308 55.4385 39.7695 178.2312 4 F 4.5438 8.3428 124.8543 57.5573 35.8983 174.4783 5 R 4.1660 6.0255 119.5932 52.8139 37.7400 175.8018 6 V 3.1257 5.6726 115.8750 62.1843 32.6929 175.8300 7 Y 2.5427 7.1805 113.2204 57.8144 40.1557 175.4855 8 Y 3.6414 9.0687 116.7573 56.4548 39.3799 170.0612 9 R 4.0804 7.7171 115.7855 54.7602 30.7621 176.6376 10 G 4.1534 7.4533 106.3441 44.3493 0.0000 174.9526 11 I 4.8619 8.1318 130.0037 64.4979 40.0315 175.4740 12 Y 2.9913 7.6439 117.4704 60.4188 39.1140 174.1268 13 Y 4.2275 8.9524 115.3977 57.4649 37.3432 169.4181 14 R 5.0590 8.5387 119.9179 57.2201 27.7881 176.8240 15 R 4.3534 8.6577 119.2349 58.6826 30.6140 178.4481 16 Y 4.2814 8.5516 116.0515 59.5926 38.0090 176.3161 17 R 3.8470 5.8506 122.4528 55.9470 31.0639 174.6424 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 8.30 4.43 0.00 1.84 1.96 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.47 7.81 2 W 8.76 4.02 0.00 3.28 2.78 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 3 Y 8.10 4.44 0.00 3.09 2.92 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 F 8.34 4.54 0.00 3.02 2.64 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 R 6.03 4.17 0.00 0.72 1.63 0.00 2.78 0.00 0.00 2.73 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.22 0.00 6 V 5.67 3.13 1.75 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 1.12 0.00 0.00 1.18 0.00 0.00 7 Y 7.18 2.54 0.00 2.24 2.74 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 Y 9.07 3.64 0.00 3.01 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 9 R 7.72 4.08 0.00 1.74 1.84 0.00 2.97 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 10 G 7.45 4.15 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 0.00 0.00 0.00 11 I 8.13 4.86 1.97 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.46 1.27 0.00 0.00 12 Y 7.64 2.99 0.00 2.91 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 13 Y 8.95 4.23 0.00 3.13 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 14 R 8.54 5.06 0.00 1.90 2.04 0.00 3.34 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.81 0.00 15 R 8.66 4.35 0.00 2.44 2.46 0.00 3.51 0.00 0.00 3.55 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.92 0.00 16 Y 8.55 4.28 0.00 3.10 3.13 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 17 R 5.85 3.85 0.00 0.90 1.47 0.00 3.31 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00