NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.4139 8.3449 115.6376 57.5598 30.5905 173.0198 2 I 3.8609 7.7461 120.9045 60.7736 37.4535 173.7561 3 Y 5.1223 8.4612 119.7256 57.5322 41.5021 172.5155 4 Y 3.9184 7.2789 119.4731 57.4891 39.9714 175.1925 5 K 4.7457 7.2298 117.0801 54.5569 33.3423 172.4013 6 D 4.1657 8.8563 124.7947 55.4289 45.9602 175.3671 7 G 4.1506 8.6972 106.6827 48.9541 0.0000 172.8789 8 E 3.7479 8.2336 109.1667 56.1221 28.9134 173.4894 9 A 4.5292 7.5454 117.6549 51.3718 22.5787 175.3710 10 L 4.9966 7.6787 118.4294 55.5972 43.3251 173.5949 11 K 4.4165 8.4971 118.8764 56.6061 36.5661 174.1706 12 Y 4.8260 8.4680 123.1535 59.1224 38.2775 173.7184 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 8.34 4.41 0.00 2.94 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 2 I 7.75 3.86 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.96 1.09 0.00 0.00 3 Y 8.46 5.12 0.00 2.62 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.28 3.92 0.00 3.20 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.23 4.75 0.00 1.72 1.57 0.00 1.43 0.00 0.00 1.50 0.00 0.00 2.72 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.62 1.02 7.81 6 D 8.86 4.17 0.00 2.67 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.70 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.23 3.75 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 9 A 7.55 4.53 1.24 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 0.00 0.00 10 L 7.68 5.00 0.00 1.92 1.70 0.96 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.50 4.42 0.00 1.75 1.69 0.00 1.62 0.00 0.00 1.51 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.36 7.81 12 Y 8.47 4.83 0.00 3.19 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00