NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1570 8.3149 120.1023 56.1183 34.0398 175.2674 2 T 4.3062 7.3480 111.3858 61.2245 72.1930 170.9968 3 Y 5.0484 8.2189 119.0315 56.5942 42.3400 174.7074 4 Q 5.1308 8.7073 121.6764 54.7689 33.0491 173.5067 5 C 4.6316 8.7319 122.9360 58.5476 33.0447 173.1199 6 Q 4.4293 7.8039 117.3943 55.6390 30.0177 176.0252 7 Y 4.5683 7.4906 115.4742 59.3440 39.1507 174.5260 8 C 5.1819 7.8802 112.4211 56.5327 32.7457 172.4394 9 E 4.6908 8.6481 114.2829 55.2411 29.0277 175.5191 10 K 4.7673 7.6839 120.7486 54.2751 36.5167 176.5004 11 R 4.7433 7.8151 117.6405 54.3997 32.2048 174.5309 12 F 4.8863 9.0832 117.6935 55.8136 43.7631 174.2108 13 A 4.7981 8.6000 123.5966 47.9100 18.0678 174.0530 14 D 4.9071 8.2065 118.0836 52.7758 40.7446 175.9213 15 S 4.4771 8.4517 112.0438 58.5141 62.4929 174.8556 16 S 4.5395 7.9520 113.7528 59.7658 64.0901 175.0515 17 N 4.3372 8.0720 120.2655 55.6485 37.9142 176.7218 18 L 2.6483 7.7288 120.8877 57.8840 41.8698 178.4701 19 K 3.7196 7.9271 117.6313 59.6473 32.0691 177.8853 20 T 4.1333 7.8270 109.1366 65.3991 69.3768 177.2448 21 H 3.9137 8.0128 121.7464 58.3788 30.3897 176.2177 22 I 3.6693 7.3216 121.3040 63.4595 36.8799 177.1476 23 K 4.5528 8.2255 119.8422 56.7963 32.6405 176.6346 24 T 4.4356 7.9804 112.3260 64.4846 70.8482 175.4045 25 K 4.3294 7.9274 117.7840 56.9414 34.1724 176.7919 26 H 4.8939 7.6072 115.2429 55.0617 29.0586 176.0896 27 S 4.4101 7.4878 116.6349 58.1154 61.9084 173.3919 28 K 3.8530 8.2238 123.3906 59.4589 29.5926 174.7690 29 E 3.9241 7.9268 109.1949 56.7582 27.9769 175.8329 30 K 4.1374 7.8243 125.2758 56.6479 32.5533 175.6313 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 4.16 0.00 1.67 1.86 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.41 7.81 2 T 7.35 4.31 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 1.22 0.00 0.00 3 Y 8.22 5.05 0.00 3.04 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 4 Q 8.71 5.13 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.92 0.00 0.00 0.00 0.00 0.00 2.26 2.48 0.00 5 C 8.73 4.63 0.00 3.45 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 6 Q 7.80 4.43 0.00 1.38 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.59 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 7 Y 7.49 4.57 0.00 2.67 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.88 5.18 0.00 3.16 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 9 E 8.65 4.69 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 10 K 7.68 4.77 0.00 1.71 1.34 0.00 1.62 0.00 0.00 1.88 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.46 1.42 7.81 11 R 7.82 4.74 0.00 1.59 1.72 0.00 3.03 0.00 0.00 3.05 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.42 0.00 12 F 9.08 4.89 0.00 3.08 3.04 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 13 A 8.60 4.80 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.21 4.91 0.00 2.82 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 15 S 8.45 4.48 0.00 2.90 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.95 4.54 0.00 4.06 4.06 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.07 4.34 0.00 2.94 3.17 0.00 0.00 6.86 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.73 2.65 0.00 1.31 1.42 0.58 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.93 3.72 0.00 1.83 2.00 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.15 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.55 7.81 20 T 7.83 4.13 4.23 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 1.25 0.00 0.00 21 H 8.01 3.91 0.00 3.12 3.10 0.00 5.81 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 7.32 3.67 1.83 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.99 0.79 0.00 0.00 23 K 8.23 4.55 0.00 1.61 1.73 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.34 7.81 24 T 7.98 4.44 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 25 K 7.93 4.33 0.00 1.49 1.74 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.42 7.81 26 H 7.61 4.89 0.00 3.13 2.99 0.00 5.63 0.00 0.00 0.00 0.00 8.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.49 4.41 0.00 3.83 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 3.85 0.00 1.86 1.77 0.00 1.92 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.39 7.81 29 E 7.93 3.92 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 30 K 7.82 4.14 0.00 1.74 1.70 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.48 7.81