NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.8921 8.2616 119.5516 56.3761 32.1316 174.2491 2 W 5.2982 8.2545 133.2853 55.5568 34.3922 173.4100 3 C 4.4553 8.4124 123.7629 56.4885 36.2004 171.8977 4 F 4.4331 7.3061 113.4282 55.8776 41.0893 172.8811 5 R 4.7966 8.4946 120.8800 55.5931 30.9375 175.4884 6 V 4.6521 8.9414 125.5997 61.4365 35.7717 172.9423 7 C 4.9395 8.2694 119.9339 55.3258 43.8321 173.3904 8 Y 4.0113 8.7679 122.8269 57.4174 42.5788 176.5825 9 R 4.3704 9.1688 110.8342 57.3979 27.5193 175.7591 10 G 4.0451 8.3336 108.3642 45.8494 0.0000 170.5692 11 I 4.7074 7.4419 117.2553 59.2198 41.5024 173.2956 12 C 4.9785 8.5928 125.2981 55.5955 42.2339 171.9664 13 Y 4.5904 7.7449 117.2897 56.8599 41.4447 173.2906 14 R 4.8457 8.6405 117.7633 54.8170 32.3539 175.3975 15 R 4.2908 8.0025 122.9916 54.6683 32.6583 175.1392 16 C 4.8199 8.3415 119.2489 55.2639 36.6154 174.3548 17 R 4.2765 8.4111 121.7305 56.2927 30.0887 176.0274 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 8.26 4.89 0.00 1.84 1.96 0.00 1.78 0.00 0.00 2.61 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.45 7.81 2 W 8.25 5.30 0.00 3.46 3.19 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 8.41 4.46 0.00 2.67 2.67 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 7.31 4.43 0.00 2.79 2.13 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 5 R 8.49 4.80 0.00 1.83 1.86 0.00 3.16 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 6 V 8.94 4.65 2.41 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 1.09 0.00 0.00 1.37 0.00 0.00 7 C 8.27 4.94 0.00 2.76 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 8.77 4.01 0.00 3.24 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 9.17 4.37 0.00 2.00 1.96 0.00 3.57 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.78 0.00 10 G 8.33 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 0.00 0.00 0.00 11 I 7.44 4.71 2.09 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 2.07 1.22 0.00 0.00 12 C 8.59 4.98 0.00 2.74 2.73 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 7.74 4.59 0.00 2.91 3.06 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 8.64 4.85 0.00 1.60 1.76 0.00 3.14 0.00 0.00 3.19 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00 15 R 8.00 4.29 0.00 1.21 1.57 0.00 2.86 0.00 0.00 3.02 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.71 0.00 16 C 8.34 4.82 0.00 2.70 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 17 R 8.41 4.28 0.00 2.30 1.94 0.00 3.39 0.00 0.00 3.38 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00