NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5996 8.3644 120.5289 53.6088 41.8098 176.8008 2 E 4.1998 8.9597 123.0673 55.5576 33.2655 173.0826 3 A 3.5852 9.4801 130.9772 52.9694 19.0140 174.3477 4 I 4.6893 7.9124 112.4033 60.1297 41.3464 175.0907 5 R 5.2313 8.6878 124.6383 54.4409 33.8129 173.7302 6 C 4.8712 8.9664 114.3863 54.1674 44.0593 174.6966 7 T 3.7734 8.8969 119.0486 66.7047 68.5110 174.4026 8 G 3.9291 7.6555 105.2522 42.9424 0.0000 173.7634 9 T 3.7008 8.1257 116.1913 67.1076 68.1077 176.7609 10 K 2.6141 7.5033 117.8089 58.5503 32.3440 178.5531 11 D 4.3661 7.7098 118.4483 57.2059 41.2705 178.4179 12 C 4.1866 7.9263 118.9447 59.7652 42.5447 175.0396 13 Y 4.0083 7.2625 117.9671 61.5831 37.2361 178.0127 14 I 3.9378 8.0981 121.5022 63.7879 37.1498 176.4972 15 P 4.3399 0.0000 0.0000 65.8767 31.3500 178.9418 16 C 4.2039 8.2752 118.7083 59.8448 37.7957 175.6081 17 R 3.9033 8.4619 121.6035 58.4529 29.4188 177.9285 18 Y 3.7725 8.1813 119.4219 61.0649 38.9622 176.1973 19 I 4.1340 8.2745 120.0748 63.3159 37.4563 177.1285 20 T 3.8806 7.7304 120.4124 65.1373 68.9149 175.3405 21 G 4.5934 8.7250 114.1430 45.7157 0.0000 173.4420 22 C 4.4710 7.8147 115.7603 56.6613 40.9858 173.6366 23 F 4.0816 8.7638 123.6435 60.5966 39.6475 174.3966 24 N 4.5215 7.6115 124.0732 54.3091 39.3899 173.4411 25 S 5.2874 8.3322 119.0671 57.1387 66.9807 172.9088 26 R 4.7637 9.0121 119.0433 55.4196 33.7310 172.6268 27 C 5.2934 8.7106 122.0465 55.4791 38.9568 173.1964 28 I 4.5145 8.7978 122.9764 60.7314 41.0174 174.6716 29 N 4.0375 9.6705 125.0403 54.8952 36.0386 174.1212 30 K 3.7224 7.7837 114.2418 57.1420 32.0748 173.3189 31 S 5.1173 8.0600 114.2507 57.6381 64.5582 173.2633 32 C 4.8917 8.7494 122.5534 57.1165 41.1992 173.6659 33 K 4.4944 9.0661 121.3942 55.1985 35.6871 174.5711 34 C 5.1054 8.6786 122.7224 55.7601 41.3651 173.9923 35 Y 3.8909 9.1424 121.0764 58.8663 38.2150 175.2383 36 G 3.9705 8.1433 104.6901 44.1576 0.0000 173.7660 37 C 4.7798 8.5579 118.1948 56.4473 41.1356 173.7058 38 T 4.0382 8.5186 110.6897 62.3760 68.0414 173.9291 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 D 8.36 4.60 0.00 2.65 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.96 4.20 0.00 1.93 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.36 0.00 3 A 9.48 3.59 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.91 4.69 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.09 0.90 0.00 0.00 5 R 8.69 5.23 0.00 1.62 1.89 0.00 3.14 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 6 C 8.97 4.87 0.00 2.99 2.93 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 7 T 8.90 3.77 4.20 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 1.18 0.00 0.00 8 G 7.66 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 9 T 8.13 3.70 4.12 0.00 0.00 0.00 0.00 0.00 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 10 K 7.50 2.61 0.00 1.57 1.76 0.00 1.79 0.00 0.00 1.62 0.00 0.00 3.09 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.43 1.35 7.81 11 D 7.71 4.37 0.00 2.71 2.65 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 12 C 7.93 4.19 0.00 2.95 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.26 4.01 0.00 3.13 2.80 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 0.00 0.00 0.00 0.00 14 I 8.10 3.94 1.98 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.87 0.98 0.00 0.00 15 P 0.00 4.34 0.00 2.27 2.30 0.00 3.90 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.00 0.00 16 C 8.28 4.20 0.00 3.13 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 17 R 8.46 3.90 0.00 2.05 2.11 0.00 3.26 0.00 0.00 3.37 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 18 Y 8.18 3.77 0.00 3.24 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 19 I 8.27 4.13 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.84 0.94 0.00 0.00 20 T 7.73 3.88 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 21 G 8.72 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.81 4.47 0.00 3.02 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 23 F 8.76 4.08 0.00 2.92 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 24 N 7.61 4.52 0.00 3.14 3.08 0.00 0.00 6.69 6.94 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 25 S 8.33 5.29 0.00 3.85 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 26 R 9.01 4.76 0.00 1.96 1.75 0.00 3.28 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.95 0.00 27 C 8.71 5.29 0.00 2.86 2.96 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 0.00 0.00 0.00 28 I 8.80 4.51 1.85 0.00 0.00 0.86 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 1.03 0.92 0.00 0.00 29 N 9.67 4.04 0.00 2.83 2.80 0.00 0.00 7.06 7.60 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 30 K 7.78 3.72 0.00 1.90 1.80 0.00 1.68 0.00 0.00 1.80 0.00 0.00 3.10 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.41 7.81 31 S 8.06 5.12 0.00 3.85 3.73 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 32 C 8.75 4.89 0.00 2.84 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 33 K 9.07 4.49 0.00 1.40 1.39 0.00 1.55 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.26 1.44 7.81 34 C 8.68 5.11 0.00 2.83 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 35 Y 9.14 3.89 0.00 3.04 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 36 G 8.14 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 C 8.56 4.78 0.00 3.00 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 38 T 8.52 4.04 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 1.23 0.00 0.00