NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 3.2473 8.2993 119.8734 56.3323 33.8659 175.0100 2 W 4.8316 7.2192 116.0126 55.7428 30.6913 172.0360 3 C 4.8778 9.3551 118.3501 57.8042 44.1583 175.4275 4 F 4.6826 8.3284 125.7752 56.7706 41.9867 172.5836 5 R 5.6477 8.2512 126.6165 53.8547 32.1839 174.9179 6 V 4.3489 8.3666 125.5264 61.8374 34.8911 174.8281 7 C 5.3171 8.4131 119.6658 56.1778 42.1844 172.9395 8 Y 4.9993 8.9629 124.9608 56.4463 41.5201 177.8624 9 R 3.0700 5.8400 114.7092 57.5269 31.8646 178.8084 10 G 4.1658 7.3016 107.9714 41.9758 0.0000 172.4551 11 I 4.4225 8.0653 118.5378 59.9510 42.1942 173.0093 12 C 5.4234 8.7731 125.7714 55.5960 44.8800 172.2164 13 Y 4.9012 9.2944 116.3615 56.5062 42.2022 175.6202 14 R 5.0481 8.7984 117.8730 54.9591 32.0222 174.2558 15 R 4.7907 9.3743 124.3276 54.7087 33.6184 173.1299 16 C 5.2045 9.0226 122.3976 55.1736 43.7902 174.2590 17 R 4.1967 8.4267 118.8071 56.4825 30.2355 175.9784 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 3.25 0.00 1.62 1.58 0.00 1.57 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.33 7.81 2 W 7.22 4.83 0.00 3.44 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 9.36 4.88 0.00 3.29 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 8.33 4.68 0.00 3.10 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 5 R 8.25 5.65 0.00 1.83 1.72 0.00 3.21 0.00 0.00 3.86 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.69 0.00 6 V 8.37 4.35 2.24 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 0.97 0.00 0.00 0.83 0.00 0.00 7 C 8.41 5.32 0.00 2.87 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 8 Y 8.96 5.00 0.00 2.95 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 5.84 3.07 0.00 1.74 1.67 0.00 3.40 0.00 0.00 3.22 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.50 0.00 10 G 7.30 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 4.42 1.91 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.36 1.08 0.00 0.00 12 C 8.77 5.42 0.00 2.86 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 13 Y 9.29 4.90 0.00 2.92 2.87 0.00 0.00 0.00 0.00 0.00 0.00 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 8.80 5.05 0.00 1.83 1.96 0.00 3.00 0.00 0.00 3.19 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 15 R 9.37 4.79 0.00 2.03 1.89 0.00 2.97 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 16 C 9.02 5.20 0.00 2.89 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 17 R 8.43 4.20 0.00 1.76 1.77 0.00 3.18 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00