NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 5.1920 8.3548 115.4022 55.5564 40.9758 172.2077 2 K 4.5585 8.2012 117.8785 54.0153 34.7333 175.0191 3 G 4.0393 8.6744 110.3327 45.3149 0.0000 172.6254 4 K 4.1643 8.5438 122.5427 58.2143 32.2767 176.9226 5 G 3.9520 8.8370 114.4935 45.0031 0.0000 172.9791 6 A 4.6712 7.9058 122.1598 49.6401 21.6073 176.4109 7 K 4.2559 8.5565 117.6721 58.2948 32.5757 174.8860 8 C 5.1573 8.4876 118.0570 53.6638 44.9491 173.0248 9 S 4.3677 8.0462 112.0912 57.0620 64.2953 173.8108 10 R 3.4795 8.3387 123.5492 55.9342 29.2583 176.6146 11 L 4.8879 7.1573 114.7506 54.8998 43.8425 176.8501 12 M 4.6120 7.2523 114.7755 55.1198 36.3352 174.6748 13 Y 3.4757 7.7264 115.2560 59.2297 35.6908 170.7143 14 D 4.5681 7.5760 118.0500 55.8726 42.4949 176.3104 15 C 4.9188 7.7851 116.2935 57.3583 40.9561 173.9675 16 C 4.1842 9.0694 122.5016 60.5940 39.8407 175.0372 17 T 3.9376 8.0877 110.2805 61.8250 67.4658 174.2395 18 G 4.1171 8.0186 108.6155 46.2748 0.0000 176.4649 19 S 4.8319 7.2612 109.7586 57.6039 64.3710 174.1465 20 C 4.4177 8.7856 128.0479 57.4314 38.7862 174.2481 21 R 4.3844 8.6868 126.9561 55.3812 29.0303 176.4532 22 S 3.7697 8.5581 110.9199 58.3722 61.5732 172.3965 23 G 3.9651 6.8648 118.0708 45.3510 0.0000 172.8475 24 K 5.0159 7.3966 120.9192 54.2651 35.3404 175.7514 25 C 4.4888 9.2411 119.9907 57.4462 41.0706 173.6087 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 8.35 5.19 0.00 3.12 3.19 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 K 8.20 4.56 0.00 1.84 1.73 0.00 1.55 0.00 0.00 1.82 0.00 0.00 3.17 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.58 1.57 7.81 3 G 8.67 4.04 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 4 K 8.54 4.16 0.00 1.73 1.77 0.00 1.77 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.41 7.81 5 G 8.84 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 0.00 0.00 0.00 6 A 7.91 4.67 1.30 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 7 K 8.56 4.26 0.00 1.75 1.88 0.00 1.51 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.47 7.81 8 C 8.49 5.16 0.00 2.93 3.13 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 9 S 8.05 4.37 0.00 3.71 3.61 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 R 8.34 3.48 0.00 1.89 1.85 0.00 2.99 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.56 0.00 11 L 7.16 4.89 0.00 1.54 1.66 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 12 M 7.25 4.61 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 13 Y 7.73 3.48 0.00 3.24 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 14 D 7.58 4.57 0.00 2.74 2.63 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 C 7.79 4.92 0.00 3.14 3.02 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 C 9.07 4.18 0.00 2.97 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 17 T 8.09 3.94 4.26 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 1.24 0.00 0.00 18 G 8.02 4.12 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 0.00 0.00 0.00 19 S 7.26 4.83 0.00 4.01 3.89 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 20 C 8.79 4.42 0.00 2.80 2.72 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 21 R 8.69 4.38 0.00 2.00 1.83 0.00 3.34 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.84 0.00 22 S 8.56 3.77 0.00 4.01 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 23 G 6.86 3.97 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 0.00 0.00 0.00 24 K 7.40 5.02 0.00 1.79 1.67 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.14 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.35 7.81 25 C 9.24 4.49 0.00 3.21 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