NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1H T 4.6109 8.1593 117.4002 63.5863 71.8119 173.7462 1G F 4.3538 8.8560 121.2446 54.9133 41.7057 173.5463 1F G 3.6711 9.3126 108.3127 46.8502 0.0000 174.0872 1E S 3.5528 9.5713 114.6997 57.9688 62.7046 173.5049 1D G 4.1081 8.2421 111.1383 45.5181 0.0000 174.0121 1C E 4.8224 8.7007 121.3419 56.1920 30.4281 175.0443 1B A 4.5146 10.3865 115.6482 53.3575 20.5651 176.5295 1A D 4.6974 8.1645 112.5716 53.7521 41.8124 175.6638 1 C 3.8499 8.0212 112.7845 60.5251 29.6547 174.1135 2 G 3.7892 8.7202 108.1270 46.0130 0.0000 173.3078 3 L 4.5557 7.3420 119.3636 52.6118 42.3705 176.5552 4 R 4.2543 9.1183 124.6339 55.1319 30.7777 176.5387 5 P 4.2632 0.0000 0.0000 65.4353 31.4496 177.3735 6 L 4.1835 7.7868 114.8498 54.8844 42.6202 176.3260 7 F 4.5856 7.5014 114.5551 57.6330 41.8671 176.7150 8 E 4.0302 9.2274 123.0303 60.1050 30.2230 179.9973 9 K 4.0418 8.0307 116.3878 58.5846 32.1218 177.8907 10 K 4.3799 7.7527 115.1074 55.3207 32.7424 175.5303 11 S 3.7917 7.8566 112.3010 59.5216 61.0640 171.0697 12 L 4.8398 8.2599 117.3529 52.6603 43.8734 176.1183 13 E 4.9289 8.5565 120.7265 54.6689 32.0510 175.7055 14 D 4.7443 9.3478 122.2103 51.8878 40.6733 177.7327 14A K 4.1061 8.4998 118.9510 59.2765 32.6110 177.5179 14B T 4.5813 8.6291 108.4148 60.2181 70.0532 175.3753 14C E 3.8411 8.0557 121.9690 59.5186 29.2704 178.7456 14D R 3.7617 8.0269 119.3676 59.5441 29.7202 177.3835 14E E 3.8036 7.5206 117.4202 59.5081 29.8013 178.7758 14F L 3.8123 7.5794 117.9335 57.7981 41.7018 179.3128 14G L 3.5785 7.4440 118.6696 57.7068 41.4836 179.4651 14H E 4.0155 8.6873 118.8536 58.7423 29.4037 179.0311 14I S 4.3412 7.5883 113.9557 60.5646 63.0272 175.0348 14J Y 4.5280 6.9512 119.1667 57.5526 38.3285 174.9758 14K I 2.9174 7.9396 110.9622 61.6919 35.6254 169.8058 14L D 4.4216 8.1803 127.3478 54.1319 42.9465 173.8542 14M G 3.8976 8.4295 115.4344 44.9388 0.0000 172.9842 15 R 4.0585 8.6450 118.4691 56.8655 29.9392 176.2798 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 1H T 8.16 4.61 4.58 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 1.29 0.00 0.00 1G F 8.86 4.35 0.00 3.20 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F G 9.31 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 0.00 0.00 0.00 1E S 9.57 3.55 0.00 3.85 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 1D G 8.24 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1C E 8.70 4.82 0.00 1.89 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.25 0.00 1B A 10.39 4.51 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1A D 8.16 4.70 0.00 2.78 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 1 C 8.02 3.85 0.00 3.08 2.95 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 2 G 8.72 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.34 4.56 0.00 1.66 1.65 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 4 R 9.12 4.25 0.00 2.17 2.04 0.00 3.19 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 5 P 0.00 4.26 0.00 2.04 2.12 0.00 3.72 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 6 L 7.79 4.18 0.00 1.45 0.96 0.83 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 7 F 7.50 4.59 0.00 3.07 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 8 E 9.23 4.03 0.00 2.13 2.06 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 2.45 2.47 0.00 9 K 8.03 4.04 0.00 2.05 1.88 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.56 1.58 7.81 10 K 7.75 4.38 0.00 1.65 1.75 0.00 1.88 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.47 7.81 11 S 7.86 3.79 0.00 4.02 3.94 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 12 L 8.26 4.84 0.00 1.53 1.57 0.82 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.56 4.93 0.00 1.99 1.87 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 0.00 2.26 2.31 0.00 14 D 9.35 4.74 0.00 2.45 1.73 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 14A K 8.50 4.11 0.00 1.88 2.01 0.00 1.52 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.41 7.81 14B T 8.63 4.58 4.19 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 1.18 0.00 0.00 14C E 8.06 3.84 0.00 2.28 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.28 0.00 14D R 8.03 3.76 0.00 1.82 1.95 0.00 3.34 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 14E E 7.52 3.80 0.00 1.90 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 14F L 7.58 3.81 0.00 1.81 1.31 0.85 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 14G L 7.44 3.58 0.00 1.69 1.65 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 14H E 8.69 4.02 0.00 1.87 1.94 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 2.28 2.47 0.00 14I S 7.59 4.34 0.00 4.07 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 0.00 14J Y 6.95 4.53 0.00 2.91 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14K I 7.94 2.92 1.90 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 1.24 0.46 0.99 0.00 0.00 14L D 8.18 4.42 0.00 2.86 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 14M G 8.43 3.90 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 0.00 0.00 0.00 15 R 8.65 4.06 0.00 1.81 1.88 0.00 3.29 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00