NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3713 8.2549 117.2830 56.2147 31.8299 175.3645 2 Q 4.3080 7.8699 115.5156 54.3621 35.3682 174.9754 3 I 4.0222 9.0322 112.9572 64.6328 38.0347 177.5586 4 K 4.1788 8.1404 119.8691 59.0155 31.8979 179.1293 5 I 3.6855 7.7774 119.5985 64.4064 36.6480 178.1952 6 F 4.2383 8.3865 118.3200 59.6679 38.7870 177.0578 7 F 4.4159 7.9777 120.1350 60.9625 39.6383 177.5014 8 Q 4.0702 10.7000 117.4723 59.3450 28.3323 178.7671 9 N 4.5499 7.9176 116.1541 55.4275 39.0212 175.0847 10 R 4.8511 9.9142 115.3790 55.8133 32.7530 175.8246 11 R 4.3944 8.4511 116.9044 57.9802 31.7925 177.8730 12 M 4.2533 7.7956 115.8774 57.9353 30.2693 178.1173 13 K 4.1562 8.0574 118.0801 58.1190 32.1807 178.3056 14 F 4.1987 7.7745 119.6713 59.6090 39.4355 175.6180 15 K 4.6177 7.3272 112.6029 56.0586 34.2184 176.3234 16 K 4.0566 8.2324 124.7889 57.7442 32.2118 176.4495 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 R 8.25 4.37 0.00 1.94 2.14 0.00 3.01 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 2 Q 7.87 4.31 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.18 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 3 I 9.03 4.02 2.01 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.18 1.01 0.00 0.00 4 K 8.14 4.18 0.00 1.91 1.94 0.00 1.66 0.00 0.00 1.87 0.00 0.00 3.12 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.63 7.81 5 I 7.78 3.69 1.62 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.34 0.68 0.00 0.00 6 F 8.39 4.24 0.00 3.31 2.95 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 7 F 7.98 4.42 0.00 3.16 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 10.70 4.07 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.61 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 9 N 7.92 4.55 0.00 2.87 3.06 0.00 0.00 7.02 7.91 0.00 0.00 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 9.91 4.85 0.00 1.95 1.79 0.00 3.46 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 11 R 8.45 4.39 0.00 1.83 1.87 0.00 2.88 0.00 0.00 2.86 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 12 M 7.80 4.25 0.00 2.27 2.34 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.63 0.00 13 K 8.06 4.16 0.00 2.07 1.96 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.73 1.49 7.81 14 F 7.77 4.20 0.00 3.22 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.33 4.62 0.00 1.86 1.88 0.00 1.85 0.00 0.00 1.88 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.57 1.40 7.81 16 K 8.23 4.06 0.00 1.88 2.07 0.00 1.52 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.58 7.81