NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3031 8.3149 120.1317 56.2732 35.5354 177.9379 2 K 3.4034 8.2863 117.4089 55.0019 30.7420 175.0086 3 S 3.7519 10.0977 121.8940 60.0613 63.1594 173.6170 4 H 4.2413 8.0205 118.8799 60.8741 28.8505 178.2549 5 T 4.1406 7.9470 114.6698 66.4993 68.3158 174.9132 6 A 4.0738 7.8689 123.5645 54.0487 18.7072 179.2725 7 S 4.0703 7.9935 111.8319 61.9505 63.1497 176.4592 8 Y 4.3029 8.9433 121.1141 60.4579 37.3233 178.5015 9 L 3.8503 6.6935 121.9449 58.6349 40.1669 179.4092 10 R 3.8417 8.0895 117.1460 59.3798 29.1718 177.7651 11 L 4.1633 8.7350 121.0685 58.1590 41.5914 178.7773 12 W 4.2541 8.6341 127.2868 60.2198 30.8936 178.2558 13 A 2.7498 8.7800 121.8072 54.4953 17.5328 179.2672 14 L 3.7647 8.2149 117.2865 58.1957 41.9569 179.5168 15 S 4.0495 7.9513 114.5999 61.9213 62.8288 176.6483 16 L 3.4299 8.3729 123.0235 58.1695 41.5250 178.6824 17 A 3.8792 7.7654 120.9363 55.4593 18.0886 178.9131 18 H 4.1697 8.7311 114.4930 59.3639 28.2806 177.2972 19 A 4.1627 8.4168 124.2653 53.4705 18.2665 179.2561 20 Q 4.1580 8.3652 116.5318 58.0691 28.8726 177.6768 21 L 4.4725 8.5158 120.5356 56.8886 41.1369 178.1923 22 S 4.5973 7.4742 115.3690 57.8986 64.2812 175.5131 23 S 4.5282 8.7572 112.9285 59.2120 65.8487 175.6247 24 K 3.9891 8.0610 120.5729 57.0377 32.3837 176.9682 25 K 4.1348 8.1983 118.2428 57.5091 32.2250 175.8298 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 K 8.31 4.30 0.00 1.75 1.92 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.47 7.81 2 K 8.29 3.40 0.00 2.03 1.12 0.00 1.80 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.45 7.81 3 S 10.10 3.75 0.00 4.12 4.10 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.02 4.24 0.00 3.36 3.64 0.00 5.67 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.95 4.14 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 6 A 7.87 4.07 1.26 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 0.00 0.00 0.00 7 S 7.99 4.07 0.00 4.01 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 8 Y 8.94 4.30 0.00 2.99 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 L 6.69 3.85 0.00 1.91 1.81 1.11 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.09 3.84 0.00 2.05 2.27 0.00 2.98 0.00 0.00 3.49 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 11 L 8.73 4.16 0.00 1.85 2.22 0.98 1.20 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 12 W 8.63 4.25 0.00 3.56 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.78 2.75 0.79 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 0.00 0.00 0.00 0.00 0.00 14 L 8.21 3.76 0.00 1.78 1.70 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 15 S 7.95 4.05 0.00 3.92 3.87 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.37 3.43 0.00 1.06 1.38 0.85 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 17 A 7.77 3.88 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.73 4.17 0.00 3.25 3.54 0.00 5.28 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.42 4.16 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.37 4.16 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.82 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 21 L 8.52 4.47 0.00 1.66 1.77 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 22 S 7.47 4.60 0.00 3.78 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.76 4.53 0.00 3.78 3.76 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 24 K 8.06 3.99 0.00 1.74 1.77 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.51 7.81 25 K 8.20 4.13 0.00 1.82 1.71 0.00 1.62 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.45 7.81