NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4703 8.3231 116.8110 61.1239 63.7690 172.6200 2 G 4.0462 9.3435 112.7744 46.2647 0.0000 172.4449 3 W 4.8690 8.8066 119.0726 57.5164 30.5192 176.2177 4 C 4.9008 8.1648 115.1150 56.5143 35.2414 173.1740 5 D 4.3274 7.7794 120.4372 53.5643 41.1197 175.6465 6 P 4.2330 0.0000 0.0000 65.4114 31.5894 178.1522 7 R 4.1068 7.8594 117.2988 58.2364 29.9798 177.0212 8 W 5.3845 7.0044 114.6563 55.7347 28.6950 174.6734 9 Y 4.2992 8.3421 119.7886 58.9288 38.9777 174.5573 10 D 4.7237 7.7086 123.5491 51.6447 43.5739 174.1083 11 P 4.0017 0.0000 0.0000 65.5818 31.6381 178.2850 12 F 4.0145 8.3448 118.6983 61.0605 39.1480 175.6207 13 M 4.5902 7.8567 118.3215 55.3220 32.8674 175.7655 14 C 5.0783 8.1178 112.9141 55.8289 41.2329 173.5459 15 E 3.8854 7.0088 125.8207 55.7891 26.4210 175.0650 16 H 4.4393 9.1394 128.2321 57.4242 30.4271 174.0617 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 S 8.32 4.47 0.00 3.92 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.34 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 3 W 8.81 4.87 0.00 3.56 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.16 4.90 0.00 3.08 3.33 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 0.00 5 D 7.78 4.33 0.00 2.25 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 4.23 0.00 1.93 1.95 0.00 3.46 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.96 0.00 7 R 7.86 4.11 0.00 1.33 2.08 0.00 3.17 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.38 0.00 8 W 7.00 5.38 0.00 3.37 3.33 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 0.00 9 Y 8.34 4.30 0.00 3.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.71 4.72 0.00 2.67 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.00 0.00 2.29 2.25 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 12 F 8.34 4.01 0.00 2.94 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 13 M 7.86 4.59 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 14 C 8.12 5.08 0.00 2.95 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.01 3.89 0.00 2.13 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 16 H 9.14 4.44 0.00 3.09 3.53 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00