NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4443 8.3044 120.3243 54.2960 34.8852 175.8091 2 E 4.5078 7.6893 122.2276 53.7875 31.3750 173.7784 3 E 4.3037 8.4844 122.2348 55.0076 30.0702 175.6174 4 L 4.5453 7.2417 120.5210 53.9677 44.2482 176.8766 5 Q 4.4418 8.4366 116.2433 55.7291 30.4512 174.4086 6 D 5.0966 7.8979 116.4015 51.3292 42.1627 174.4759 7 D 4.9216 8.4299 116.5194 53.6235 39.9282 177.6731 8 Y 4.2170 8.7476 119.1545 61.6149 38.3669 176.0496 9 E 3.0517 7.7130 116.7292 56.2515 26.6110 175.1361 10 D 4.7353 6.1441 114.8137 54.1591 39.0032 175.1159 11 M 4.6478 7.1884 114.7535 53.6595 32.0881 175.7528 12 M 4.5324 8.4697 127.4907 54.2006 30.6437 175.2409 13 E 4.7570 7.9165 119.8368 54.0378 33.1865 174.5068 14 E 4.7193 8.5431 124.4684 54.6603 32.9913 174.6338 15 N 4.6187 8.7212 121.3772 53.4808 39.1732 174.3633 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 M 8.30 4.44 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 2 E 7.69 4.51 0.00 1.98 1.82 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 2.21 2.41 0.00 3 E 8.48 4.30 0.00 2.07 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 4 L 7.24 4.55 0.00 1.58 1.57 0.44 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 8.44 4.44 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.66 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 6 D 7.90 5.10 0.00 2.80 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 7 D 8.43 4.92 0.00 2.80 2.82 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 8 Y 8.75 4.22 0.00 3.20 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.71 3.05 0.00 1.84 1.73 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 1.99 2.14 0.00 10 D 6.14 4.74 0.00 2.73 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 11 M 7.19 4.65 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.77 0.00 12 M 8.47 4.53 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.49 0.00 13 E 7.92 4.76 0.00 1.90 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.26 0.00 14 E 8.54 4.72 0.00 1.91 1.74 0.00 0.00 0.00 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 2.28 0.00 15 N 8.72 4.62 0.00 2.71 2.66 0.00 0.00 6.86 7.90 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