NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.4321 8.3144 120.1532 56.3651 33.5710 173.8298 2 W 4.8095 8.5353 128.7789 56.1323 32.2738 175.2361 3 K 4.4025 7.4260 119.2504 55.2736 33.4518 174.7272 4 L 4.3267 8.1367 128.1190 57.9747 41.1177 178.1796 5 F 3.7514 8.3300 121.6231 60.6604 39.1377 176.4494 6 K 4.1045 7.8943 118.1732 59.5489 31.9430 178.7702 7 K 4.0526 8.3709 119.2622 59.3764 32.0002 179.1221 8 I 3.8217 7.5079 119.2184 63.4439 36.9087 178.1023 9 K 4.0110 8.3336 121.2988 59.0159 31.9836 178.4718 10 F 5.0258 8.1463 122.5487 60.7135 38.9971 177.0328 11 L 3.6110 7.4121 117.5711 57.6282 41.6999 178.6889 12 H 4.4283 8.1601 116.4678 58.7199 28.7027 177.8741 13 S 4.2869 8.0268 116.1687 60.9350 62.5792 175.6815 14 A 4.3092 7.4764 121.9332 51.3732 18.6341 178.7866 15 K 3.9948 8.0138 118.0961 57.1385 30.9537 179.0174 16 K 4.1950 9.2796 115.0710 56.1325 33.0075 176.6391 17 F 4.2173 8.7771 125.3512 58.1736 39.5446 174.5720 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 4.43 0.00 1.84 1.90 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.50 7.81 2 W 8.54 4.81 0.00 3.32 3.09 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 3 K 7.43 4.40 0.00 1.89 1.59 0.00 1.71 0.00 0.00 1.95 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.55 7.81 4 L 8.14 4.33 0.00 1.97 2.01 0.87 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 5 F 8.33 3.75 0.00 3.18 3.11 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 K 7.89 4.10 0.00 2.03 2.05 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.58 7.81 7 K 8.37 4.05 0.00 2.05 1.87 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.50 7.81 8 I 7.51 3.82 1.81 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.62 0.70 0.00 0.00 9 K 8.33 4.01 0.00 1.80 2.03 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.64 7.81 10 F 8.15 5.03 0.00 3.15 3.39 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 L 7.41 3.61 0.00 1.85 1.64 0.86 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.16 4.43 0.00 3.42 3.36 0.00 5.63 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.03 4.29 0.00 4.07 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.48 4.31 1.01 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 0.00 0.00 15 K 8.01 3.99 0.00 1.70 1.61 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.38 7.81 16 K 9.28 4.19 0.00 1.79 1.75 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.42 7.81 17 F 8.78 4.22 0.00 2.98 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