NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.4212 8.4544 120.6310 56.4711 43.3854 173.0162 2 N 4.5332 8.2657 127.4312 51.5600 38.5111 174.6569 3 C 4.3573 9.3530 125.2174 58.8911 41.4759 175.0025 4 K 3.8555 8.2160 118.5004 58.6904 32.1692 177.8112 5 A 4.6096 7.6360 120.3529 50.8522 20.3880 173.2152 6 P 4.2682 0.0000 0.0000 61.5234 32.6223 175.9586 7 E 4.5388 8.4079 118.0789 56.4432 31.4718 176.1225 8 T 4.8149 7.3384 108.4986 59.3800 72.5424 174.6592 9 F 4.3623 8.8993 124.4032 61.9661 39.4266 177.6601 10 L 3.7147 8.0178 117.6329 57.3889 41.3550 179.8829 11 C 4.2017 7.9290 119.0100 59.6990 44.4653 174.8600 12 Y 4.0255 7.9547 118.5358 61.1269 37.2606 178.7951 13 W 3.9183 7.9303 128.1572 60.1180 31.0147 177.8067 14 R 3.9828 8.3637 119.2315 59.6523 29.3402 177.9248 15 C 4.2713 8.1716 115.4121 59.7833 40.1911 175.3988 16 L 3.7497 7.6784 121.2876 57.6561 41.5599 177.3566 17 Q 4.1809 7.5197 121.5855 55.8575 28.9879 175.2933 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 C 8.45 4.42 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 2 N 8.27 4.53 0.00 2.87 2.63 0.00 0.00 7.16 6.77 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 3 C 9.35 4.36 0.00 2.96 3.08 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.22 3.86 0.00 1.90 1.86 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.36 7.81 5 A 7.64 4.61 1.18 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 0.00 0.00 6 P 0.00 4.27 0.00 0.49 1.27 0.00 3.37 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.81 0.00 7 E 8.41 4.54 0.00 1.86 1.92 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 2.21 2.35 0.00 8 T 7.34 4.81 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 9 F 8.90 4.36 0.00 3.29 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.02 3.71 0.00 1.77 1.72 1.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 11 C 7.93 4.20 0.00 2.89 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 7.95 4.03 0.00 3.25 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.93 3.92 0.00 2.69 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 8.36 3.98 0.00 2.01 2.04 0.00 3.15 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 15 C 8.17 4.27 0.00 3.08 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 16 L 7.68 3.75 0.00 1.35 1.38 0.69 -0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 7.52 4.18 0.00 2.12 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.32 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00