NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3409 8.3349 115.4104 57.9894 64.9843 174.6534 2 C 4.3462 8.0037 119.4282 54.1906 40.3819 171.7025 3 N 4.8535 8.4809 124.1831 52.8469 41.7775 171.9428 4 N 4.4652 8.1799 126.3493 53.8329 41.7371 173.8018 5 S 4.5359 8.3832 115.7103 57.7694 65.0531 172.6692 6 C 5.0365 8.0843 120.0319 54.3712 42.3746 173.5869 7 Q 4.3442 8.6039 119.7944 55.7539 30.4926 175.5893 8 S 4.6258 7.3806 107.3004 59.0796 66.1476 173.2356 9 H 4.8114 8.5182 116.2966 56.8349 37.4162 174.8094 10 S 4.7028 8.0702 110.5535 58.6779 63.1677 173.1903 11 D 4.7546 7.6493 119.3574 55.5181 40.9747 175.3579 12 C 5.3093 7.7681 117.4935 55.0416 42.9663 173.4302 13 A 4.1339 8.2043 122.4614 54.6728 18.9879 178.4720 14 S 4.4651 7.7147 106.0187 58.6885 63.8880 173.7239 15 H 4.8415 8.7934 112.8606 56.0530 29.8806 175.3250 16 C 4.8875 8.0165 116.6879 56.5258 41.5042 172.9822 17 I 4.4498 8.6530 115.5795 58.7881 40.9424 173.8371 18 C 4.9039 8.3344 120.3126 57.2470 35.9336 173.2763 19 T 4.5648 8.1501 117.2513 60.2108 70.2847 173.8218 20 F 4.4228 8.6021 117.5991 58.7947 37.7272 175.8068 21 R 4.3736 7.1569 117.3673 55.8208 29.0678 176.4756 22 G 4.3305 7.7506 110.2296 47.0371 0.0000 172.7676 23 C 5.1229 7.6582 114.9972 54.3628 42.8519 173.7039 24 G 4.2970 8.8389 109.8604 44.4898 0.0000 171.9341 25 A 4.8875 8.7970 126.3660 51.1241 18.4780 178.3206 26 V 3.6803 8.6129 122.3987 63.7643 32.1788 176.0110 27 N 4.5068 8.0071 121.5943 52.7467 37.4902 174.6056 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 S 8.33 4.34 0.00 3.99 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 2 C 8.00 4.35 0.00 3.05 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 N 8.48 4.85 0.00 2.59 2.65 0.00 0.00 6.97 7.78 0.00 0.00 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 N 8.18 4.47 0.00 2.76 2.55 0.00 0.00 7.00 7.62 0.00 0.00 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 S 8.38 4.54 0.00 3.83 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.08 5.04 0.00 3.03 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 7 Q 8.60 4.34 0.00 1.98 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.93 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 8 S 7.38 4.63 0.00 3.94 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.52 4.81 0.00 3.14 3.25 0.00 5.66 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.07 4.70 0.00 4.02 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 11 D 7.65 4.75 0.00 2.78 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 12 C 7.77 5.31 0.00 2.91 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 8.20 4.13 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.71 4.47 0.00 3.77 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.79 4.84 0.00 3.20 3.27 0.00 5.66 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 C 8.02 4.89 0.00 2.81 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.65 4.45 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.99 0.92 0.00 0.00 18 C 8.33 4.90 0.00 2.82 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.15 4.56 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 20 F 8.60 4.42 0.00 3.16 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 7.16 4.37 0.00 1.80 1.70 0.00 2.21 0.00 0.00 2.90 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.41 0.00 22 G 7.75 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.66 5.12 0.00 2.74 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.84 4.30 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 0.00 25 A 8.80 4.89 1.28 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 0.00 0.00 0.00 26 V 8.61 3.68 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.94 0.00 0.00 27 N 8.01 4.51 0.00 2.81 2.82 0.00 0.00 5.86 7.56 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