NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3910 8.3149 120.1483 56.1208 32.9425 172.7576 2 W 4.2837 7.6178 115.3784 57.7881 32.1689 174.8842 3 C 4.6866 8.9368 118.1518 57.3576 41.6066 174.7627 4 F 5.0035 8.2351 122.7269 56.4417 39.9808 172.9949 5 R 5.0003 8.3601 122.1739 55.0263 29.4155 175.0884 6 V 4.5494 8.0183 123.5912 60.0921 35.3212 174.5058 7 C 5.3531 8.4357 118.2395 55.6824 40.3092 173.3601 8 Y 4.6884 8.8864 118.7621 57.1515 39.5605 174.0764 9 R 4.2099 8.6439 125.3021 56.4738 29.0230 176.7210 10 G 4.2421 7.8551 106.8201 45.3000 0.0000 171.5664 11 I 4.4053 8.1442 119.8170 58.9286 40.5489 173.2326 12 C 4.7685 8.7474 125.3601 55.6572 35.5444 173.1637 13 Y 4.3710 8.6223 124.4267 56.6828 37.0355 176.6577 14 R 4.2681 8.3751 124.4396 57.5291 30.9757 178.0430 15 R 4.1516 7.9910 116.5383 56.6142 30.5905 177.5707 16 C 4.5338 8.9083 118.3258 58.9525 40.8590 174.2393 17 R 4.3205 8.0014 122.6469 56.2136 29.9351 175.9168 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 4.39 0.00 1.85 1.25 0.00 1.58 0.00 0.00 1.36 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.41 7.81 2 W 7.62 4.28 0.00 3.16 3.01 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 C 8.94 4.69 0.00 2.87 3.01 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 8.24 5.00 0.00 3.04 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 5 R 8.36 5.00 0.00 1.88 1.93 0.00 3.05 0.00 0.00 3.95 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.51 0.00 6 V 8.02 4.55 1.99 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 0.52 0.00 0.00 0.59 0.00 0.00 7 C 8.44 5.35 0.00 2.78 3.10 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 8.89 4.69 0.00 3.02 2.77 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 8.64 4.21 0.00 2.03 1.95 0.00 3.24 0.00 0.00 3.31 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 10 G 7.86 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 0.00 0.00 0.00 0.00 11 I 8.14 4.41 1.92 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.67 1.26 0.00 0.00 12 C 8.75 4.77 0.00 2.94 2.98 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 8.62 4.37 0.00 3.21 2.96 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 8.38 4.27 0.00 1.82 2.01 0.00 3.20 0.00 0.00 3.20 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 15 R 7.99 4.15 0.00 2.00 2.02 0.00 3.33 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.81 0.00 16 C 8.91 4.53 0.00 3.06 3.24 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 0.00 17 R 8.00 4.32 0.00 1.88 1.89 0.00 3.80 0.00 0.00 3.87 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00