NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.5562 8.4549 118.1001 56.5255 42.2910 174.1028 2 S 4.0103 7.4772 114.1528 58.0272 63.1878 172.2894 3 W 5.0169 8.0748 121.5702 54.4641 32.0888 175.0696 4 R 4.4011 8.3835 118.8795 57.6154 29.9158 176.7458 5 G 4.1348 9.9957 111.0755 45.7671 0.0000 174.8058 6 L 4.3360 7.3717 116.4371 53.9361 42.4513 176.4292 7 E 4.0870 8.1394 116.9229 57.2477 30.1984 175.6577 8 N 4.1405 8.6213 117.0436 55.2433 37.7112 173.4106 9 H 4.7934 7.9486 112.8276 53.4223 31.0791 175.2624 10 R 3.8721 8.9946 125.6180 59.7316 29.9245 177.0137 11 M 4.1282 8.2267 113.0704 58.5053 31.1249 176.7365 12 C 4.4320 8.0061 120.2163 56.9204 41.3330 173.2155 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 4.56 0.00 2.83 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.48 4.01 0.00 3.71 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 5.02 0.00 3.44 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.38 4.40 0.00 1.83 1.91 0.00 3.27 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 5 G 10.00 4.13 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 0.00 0.00 0.00 6 L 7.37 4.34 0.00 1.56 1.52 0.79 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.14 4.09 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 8 N 8.62 4.14 0.00 2.84 2.91 0.00 0.00 6.91 7.89 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 9 H 7.95 4.79 0.00 3.35 3.18 0.00 5.70 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.99 3.87 0.00 1.75 1.98 0.00 3.25 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 11 M 8.23 4.13 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.60 0.00 12 C 8.01 4.43 0.00 3.15 3.01 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