NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1514 8.3149 120.1301 56.4642 33.6903 176.6691 2 K 3.2621 8.0920 118.9313 55.0214 30.9914 173.7700 3 F 4.8012 7.0568 116.0744 55.8634 40.4997 174.7497 4 A 4.6941 8.5721 127.4169 51.9754 20.4441 174.8240 5 C 3.7655 8.0794 123.4059 58.4434 30.9296 172.8360 6 P 4.4581 0.0000 0.0000 64.8901 31.3027 177.9885 7 E 4.0884 8.2829 118.7960 58.7186 29.7201 176.4733 8 C 4.9457 7.3216 111.1170 55.3077 31.9263 173.3724 9 P 4.6301 0.0000 0.0000 62.8150 28.3336 175.0650 10 K 4.8119 7.8867 125.1437 55.4905 35.9251 175.3752 11 R 4.6879 7.5319 116.4552 55.3603 33.7665 174.3345 12 F 4.9588 8.5999 118.9120 56.7298 43.4050 173.6182 13 M 5.2326 8.3092 119.0210 54.9170 32.7271 174.9112 14 R 4.0930 7.7266 116.3577 56.3985 33.1810 173.1805 15 S 4.1667 7.5267 113.1544 58.8471 64.2205 175.0354 16 D 4.4292 7.1605 122.0476 56.5043 40.3447 177.3492 17 H 4.0057 8.0927 119.3321 59.4521 29.9896 177.5358 18 L 3.4528 7.6982 121.8075 57.6960 41.9592 178.6965 19 S 3.9210 7.8783 113.0276 61.4141 62.2118 175.9039 20 K 3.7798 7.6694 119.7453 59.9545 32.1045 178.2554 21 H 4.2339 7.8906 118.0963 59.5035 29.9207 177.4592 22 I 3.7834 7.4549 120.8631 63.6289 36.6254 178.2396 23 K 3.9991 7.9176 121.2938 59.2010 31.7834 178.1013 24 T 4.2222 7.6317 108.0243 63.3888 69.1394 175.8637 25 H 4.4836 7.9285 118.7564 57.1183 30.2146 175.2811 26 Q 4.6235 7.2558 117.0522 53.6816 28.6849 174.9760 27 N 4.1265 8.1296 116.3417 54.9000 39.9265 175.2656 28 K 3.3460 9.2622 123.6517 58.5967 33.5620 174.6832 29 K 4.1841 8.5429 115.8488 57.7781 34.0680 174.1547 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 4.15 0.00 1.70 1.75 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.50 7.81 2 K 8.09 3.26 0.00 1.60 1.05 0.00 1.59 0.00 0.00 1.44 0.00 0.00 2.75 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.15 1.33 7.81 3 F 7.06 4.80 0.00 3.09 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.57 4.69 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.08 3.77 0.00 3.02 3.23 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.46 0.00 2.21 2.19 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.13 0.00 7 E 8.28 4.09 0.00 1.71 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 8 C 7.32 4.95 0.00 3.17 2.97 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 9 P 0.00 4.63 0.00 2.22 2.16 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 10 K 7.89 4.81 0.00 1.99 1.66 0.00 1.65 0.00 0.00 1.36 0.00 0.00 2.72 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.46 7.81 11 R 7.53 4.69 0.00 1.54 1.67 0.00 3.10 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 12 F 8.60 4.96 0.00 3.16 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.31 5.23 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.58 0.00 14 R 7.73 4.09 0.00 1.73 1.70 0.00 3.23 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.42 0.00 15 S 7.53 4.17 0.00 3.79 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.16 4.43 0.00 2.73 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.09 4.01 0.00 3.22 3.34 0.00 5.67 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.70 3.45 0.00 1.61 1.49 0.05 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 19 S 7.88 3.92 0.00 3.97 3.86 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.67 3.78 0.00 1.71 1.86 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.42 7.81 21 H 7.89 4.23 0.00 3.20 3.30 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.45 3.78 1.92 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.87 0.91 0.00 0.00 23 K 7.92 4.00 0.00 1.91 1.75 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.56 7.81 24 T 7.63 4.22 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 25 H 7.93 4.48 0.00 3.38 3.48 0.00 5.59 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.26 4.62 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 27 N 8.13 4.13 0.00 2.67 2.74 0.00 0.00 7.51 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 9.26 3.35 0.00 1.98 1.85 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.40 7.81 29 K 8.54 4.18 0.00 1.95 1.86 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.56 1.41 7.81