NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.7646 8.3027 116.3370 57.3498 29.7914 173.7480 2 S 3.6143 8.2023 112.4103 61.0843 63.3614 174.8706 3 Q 4.1067 8.7076 118.9405 58.2460 30.3101 175.3224 4 G 3.8258 7.9188 106.5867 42.8295 0.0000 175.5224 5 T 4.2972 8.3379 117.2003 61.7345 66.0079 175.3825 6 F 4.2850 8.8656 127.0948 61.7490 39.6968 175.7332 7 T 4.0179 8.2671 115.1074 66.8914 68.0471 175.4071 8 S 4.6155 7.6360 112.5623 59.1484 63.1707 175.8481 9 D 4.4793 8.6073 123.0119 57.6308 40.9380 177.6384 10 Y 4.4042 8.1420 119.3949 60.7742 38.8762 177.3522 11 S 3.8151 7.5861 112.3869 59.7534 63.4601 174.8797 12 K 4.2022 8.1674 122.2471 58.2848 33.2470 177.6651 13 Y 4.0918 7.9598 119.2885 60.8087 38.6175 177.7088 14 L 3.8247 7.3749 117.9482 56.3805 42.2987 176.9195 15 D 4.6398 7.8010 117.0061 55.2869 41.2553 176.8981 16 S 4.4891 7.8502 115.0147 59.0427 63.9721 175.8132 17 R 3.8443 7.3600 121.0102 58.6709 30.1405 177.1753 18 R 4.2231 7.6919 115.6522 56.8566 29.9839 176.8585 19 A 4.4636 7.5111 118.8636 54.1847 20.5264 178.5261 20 Q 4.1359 7.9935 117.4145 58.2973 29.1618 177.3433 21 D 4.4211 8.2091 119.3128 57.0371 41.2758 177.7620 22 F 4.1767 7.9305 120.3841 61.1767 39.2066 176.8228 23 V 3.8043 7.6125 115.1070 64.6749 31.4480 176.7285 24 Q 4.1989 7.8819 118.3886 58.6400 29.1841 177.2166 25 W 4.1081 8.2628 130.0483 60.0050 30.5457 177.1622 26 L 3.9707 7.1775 116.4791 55.3627 42.3598 175.7052 27 M 4.3584 8.1582 115.2234 55.8014 35.3047 176.8678 28 N 3.6380 6.8437 113.5848 59.0921 37.7620 173.3957 29 T 3.9164 7.1767 115.7102 61.9475 70.5396 173.1627 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 H 8.30 4.76 0.00 3.36 3.56 0.00 5.65 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.20 3.61 0.00 3.89 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.71 4.11 0.00 2.07 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.28 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 4 G 7.92 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.34 4.30 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 1.23 0.00 0.00 6 F 8.87 4.28 0.00 3.08 2.84 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 7 T 8.27 4.02 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 1.29 0.00 0.00 8 S 7.64 4.62 0.00 3.92 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.61 4.48 0.00 2.92 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.14 4.40 0.00 3.12 3.08 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 0.00 0.00 0.00 0.00 11 S 7.59 3.82 0.00 3.91 3.91 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 0.00 0.00 0.00 0.00 12 K 8.17 4.20 0.00 1.73 1.90 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.33 7.81 13 Y 7.96 4.09 0.00 3.05 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 7.37 3.82 0.00 1.26 1.53 1.15 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 15 D 7.80 4.64 0.00 2.70 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 7.85 4.49 0.00 3.74 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.36 3.84 0.00 1.40 1.69 0.00 3.20 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 18 R 7.69 4.22 0.00 1.84 1.82 0.00 3.34 0.00 0.00 3.33 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 19 A 7.51 4.46 1.30 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 20 Q 7.99 4.14 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 21 D 8.21 4.42 0.00 3.07 2.67 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 22 F 7.93 4.18 0.00 3.25 3.27 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 23 V 7.61 3.80 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.15 0.00 0.00 24 Q 7.88 4.20 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.61 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 25 W 8.26 4.11 0.00 3.18 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.18 3.97 0.00 1.11 1.29 0.90 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 27 M 8.16 4.36 0.00 2.03 1.68 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 28 N 6.84 3.64 0.00 2.99 3.07 0.00 0.00 7.51 9.04 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 29 T 7.18 3.92 4.21 0.00 0.00 0.00 0.00 0.00 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