NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 3.7251 8.3149 120.0465 56.4704 33.3207 174.6284 2 Y 4.7137 7.5058 116.2232 58.0528 38.8990 174.2285 3 Y 4.8070 8.4382 114.5005 57.8600 39.5608 174.4146 4 G 3.7397 9.5458 106.5068 44.8232 0.0000 170.2521 5 N 4.1981 9.4196 130.6477 54.0446 39.8438 174.4747 6 G 4.0095 8.7101 112.2728 45.1943 0.0000 174.9590 7 V 3.5172 7.8698 118.9057 64.6858 31.5396 174.3492 8 H 3.8381 7.7306 117.8797 55.6829 27.5624 171.0591 9 C 4.2412 8.2926 119.4084 57.1790 43.8777 173.8372 10 T 4.4402 7.9011 119.2315 61.9212 69.0146 174.1937 11 K 3.8303 8.0055 118.0551 58.0234 30.8634 174.0190 12 S 5.3058 8.1093 109.9495 58.9866 64.6784 176.7911 13 G 4.0368 7.7013 109.7517 46.1455 0.0000 174.0425 14 C 4.4645 8.3332 123.0124 57.1631 40.8266 175.0533 15 S 3.9233 8.4078 118.8927 60.8282 63.3178 175.0979 16 V 3.0707 7.4871 116.0819 62.4740 29.5015 171.5792 17 N 4.2329 7.3169 121.9045 53.6219 40.4797 175.7464 18 W 4.8565 8.4643 124.7041 59.6415 29.4997 179.3042 19 G 3.7961 8.1361 105.4029 47.7086 0.0000 175.2587 20 E 4.2481 8.1998 119.1684 57.9899 29.5909 178.4285 21 A 4.1718 8.0524 121.0624 54.1697 18.6951 179.0281 22 F 4.1981 7.9915 117.9903 60.9695 39.5066 177.6633 23 S 4.3653 8.3617 114.1937 60.8607 62.7259 176.0135 24 A 4.4084 8.3262 123.7711 54.2012 18.6061 179.8615 25 G 3.4722 8.2954 105.1823 47.9648 0.0000 175.5933 26 V 3.4191 7.8151 120.8395 66.8112 30.8807 177.6861 27 H 4.1889 8.5220 117.4916 58.8899 29.5454 177.5819 28 R 3.7179 7.5800 119.5874 59.3060 29.9574 178.5947 29 L 4.1896 7.6704 116.8889 57.0698 41.6544 178.1749 30 A 4.4670 7.3290 118.3710 51.9469 19.4083 176.4258 31 N 4.7018 7.4801 116.5299 55.2025 39.0923 175.6150 32 G 3.8382 9.2206 103.5866 47.6653 0.0000 173.3976 33 G 3.6274 7.1831 112.5805 44.6248 0.0000 175.2386 34 N 4.9519 7.6571 117.6748 52.4484 40.4433 175.0797 35 G 4.1573 7.9771 103.3184 45.4976 0.0000 173.5140 36 F 4.3191 7.3775 120.0410 59.0882 41.7215 174.5031 37 W 4.7259 7.2075 122.7280 57.1464 28.8163 175.8789 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 K 8.31 3.73 0.00 1.44 1.25 0.00 1.36 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.90 1.02 7.81 2 Y 7.51 4.71 0.00 3.17 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 3 Y 8.44 4.81 0.00 2.93 2.83 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 4 G 9.55 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 0.00 0.00 0.00 5 N 9.42 4.20 0.00 2.87 2.83 0.00 0.00 7.22 7.98 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 6 G 8.71 4.01 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 0.00 0.00 0.00 7 V 7.87 3.52 2.09 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 0.91 0.00 0.00 0.90 0.00 0.00 8 H 7.73 3.84 0.00 3.53 3.37 0.00 6.03 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 C 8.29 4.24 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.90 4.44 4.29 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 1.39 0.00 0.00 11 K 8.01 3.83 0.00 1.87 1.88 0.00 1.87 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.40 7.81 12 S 8.11 5.31 0.00 4.02 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 13 G 7.70 4.04 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 0.00 0.00 0.00 14 C 8.33 4.46 0.00 2.95 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 15 S 8.41 3.92 0.00 3.79 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 16 V 7.49 3.07 1.96 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 0.52 0.00 0.00 0.23 0.00 0.00 17 N 7.32 4.23 0.00 2.72 2.65 0.00 0.00 7.04 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 W 8.46 4.86 0.00 3.44 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 19 G 8.14 3.80 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 0.00 0.00 0.00 20 E 8.20 4.25 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 21 A 8.05 4.17 1.60 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 0.00 0.00 22 F 7.99 4.20 0.00 3.22 3.23 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 23 S 8.36 4.37 0.00 4.16 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 24 A 8.33 4.41 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.30 3.47 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 0.00 0.00 0.00 26 V 7.82 3.42 2.17 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 0.94 0.00 0.00 0.79 0.00 0.00 27 H 8.52 4.19 0.00 3.30 3.53 0.00 5.85 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 7.58 3.72 0.00 1.95 1.93 0.00 3.34 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 29 L 7.67 4.19 0.00 2.03 1.91 0.90 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.33 4.47 0.99 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 0.00 0.00 31 N 7.48 4.70 0.00 2.75 2.72 0.00 0.00 6.78 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 9.22 3.84 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 0.00 0.00 0.00 33 G 7.18 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 N 7.66 4.95 0.00 2.66 2.80 0.00 0.00 6.64 7.70 0.00 0.00 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 G 7.98 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.38 4.32 0.00 2.26 1.48 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.21 4.73 0.00 3.38 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