NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.7712 8.4549 115.5916 55.3311 39.8503 173.4196 2 K 4.1458 8.2562 118.7825 55.3578 34.7716 174.5934 3 G 4.2311 8.5926 106.1182 44.6153 0.0000 172.1600 4 K 4.2962 8.6132 123.5747 57.5473 32.5728 177.3136 5 G 3.9310 8.4505 115.6103 44.8105 0.0000 172.7957 6 A 4.5797 7.6701 122.0344 49.6467 21.1312 174.4216 7 P 4.6280 0.0000 0.0000 62.7030 31.6192 175.1860 8 C 4.7892 8.5552 120.4350 54.2704 45.2072 172.7399 9 R 4.4757 8.2575 114.9138 55.0300 30.1543 177.3979 10 K 4.2739 8.5648 118.7669 57.6221 31.7596 178.3152 11 T 4.0910 7.9798 118.0013 66.1428 69.4884 174.2384 12 M 4.0585 7.2367 117.8492 55.2118 33.2944 173.3832 13 Y 4.7023 6.8915 112.1542 56.4575 36.9708 174.8856 14 D 4.5537 7.7891 124.6740 56.3014 42.0133 177.5291 15 C 4.4903 8.1086 120.2134 57.0647 43.9074 174.2631 16 C 4.3681 8.4100 125.6868 57.5561 43.4031 173.3959 17 K 4.6623 8.1235 117.8038 55.8833 33.5539 175.7989 18 G 3.7842 7.6573 106.4925 44.8075 0.0000 173.3476 19 R 4.8867 8.0809 122.8327 53.9797 33.7552 176.3332 20 C 4.4539 8.2441 119.6488 56.8937 41.3661 173.3788 21 G 4.2959 8.5807 113.0190 44.7484 0.0000 174.9636 22 R 4.1837 8.6101 116.3460 58.3215 29.7005 177.6671 23 R 4.1816 7.9250 116.2129 56.3532 30.3764 176.9617 24 G 4.0230 8.3990 108.6323 44.9078 0.0000 173.7161 25 R 4.7340 7.3899 117.8515 54.0324 31.5884 176.6795 26 C 4.5682 8.4923 119.0445 57.1087 44.5821 173.4078 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 C 8.45 4.77 0.00 3.18 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.26 4.15 0.00 1.72 1.82 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.62 7.81 3 G 8.59 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 0.00 0.00 0.00 0.00 4 K 8.61 4.30 0.00 1.73 1.74 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 5 G 8.45 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 0.00 0.00 0.00 6 A 7.67 4.58 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.63 0.00 1.95 2.07 0.00 3.73 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.94 0.00 8 C 8.56 4.79 0.00 2.98 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.26 4.48 0.00 1.98 2.08 0.00 2.94 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 10 K 8.56 4.27 0.00 1.75 1.85 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.45 7.81 11 T 7.98 4.09 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 1.15 0.00 0.00 12 M 7.24 4.06 0.00 1.83 1.43 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 2.41 2.37 0.00 13 Y 6.89 4.70 0.00 3.07 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 14 D 7.79 4.55 0.00 2.80 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.11 4.49 0.00 2.98 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 16 C 8.41 4.37 0.00 3.19 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 17 K 8.12 4.66 0.00 1.72 1.74 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.50 7.81 18 G 7.66 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.08 4.89 0.00 1.75 2.12 0.00 3.25 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.63 0.00 20 C 8.24 4.45 0.00 3.25 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.58 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 22 R 8.61 4.18 0.00 1.94 2.09 0.00 3.04 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 23 R 7.92 4.18 0.00 1.83 2.00 0.00 3.21 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 24 G 8.40 4.02 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 0.00 0.00 0.00 25 R 7.39 4.73 0.00 1.83 1.83 0.00 3.51 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 26 C 8.49 4.57 0.00 3.00 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