NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 L 4.3812 8.0427 122.5054 55.4261 44.3560 178.6036 -1 Y 3.3362 7.8623 118.7326 58.6032 38.6857 176.4768 0 S 3.9520 8.4589 116.7452 61.2671 63.3490 175.8911 1 A 3.8505 7.7563 123.7696 54.7677 18.2249 179.1049 2 L 3.7688 7.5901 118.3453 58.2976 42.0030 179.0790 3 A 3.6705 7.7097 121.0041 54.8413 18.1433 179.1616 4 N 4.2152 7.9730 115.6342 56.5890 39.0939 176.9498 5 K 3.8762 8.1496 121.1452 59.8870 30.8983 177.8730 6 C 4.2057 8.2521 116.8670 60.3112 39.8851 175.8513 7 C 4.1330 7.6445 118.7970 62.2655 31.3022 174.5580 8 H 4.5626 8.1926 116.1162 56.6460 28.9978 176.2090 9 V 4.1187 8.3027 118.6738 63.1439 33.5249 175.0743 10 G 4.1047 7.2848 102.7431 44.6739 0.0000 170.1336 11 C 4.8317 8.0573 112.1612 54.4241 38.4393 173.7875 12 T 4.4653 8.1065 110.8849 60.7671 69.9925 175.9881 13 K 4.0189 8.5840 122.3225 59.6044 31.6125 179.4946 14 R 3.9202 8.0356 118.5899 59.6122 29.7593 178.5263 15 S 4.2283 7.7444 113.4903 61.6918 63.1457 176.4521 16 L 4.4201 8.0074 120.9486 57.7739 41.6985 179.0617 17 A 4.0877 8.3106 120.7178 55.1447 17.9767 179.5842 18 R 3.8348 7.6314 116.0187 59.0157 30.0615 177.1070 19 F 4.4388 7.9560 115.3892 57.5419 39.1475 175.4937 20 C 4.3150 7.8530 124.3345 60.0134 27.9812 173.4354 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 -2 L 8.04 4.38 0.00 1.83 2.05 1.28 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 -1 Y 7.86 3.34 0.00 2.62 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 0 S 8.46 3.95 0.00 4.04 4.10 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.76 3.85 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.59 3.77 0.00 1.76 1.44 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 3 A 7.71 3.67 0.91 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 0.00 0.00 4 N 7.97 4.22 0.00 2.85 2.94 0.00 0.00 6.82 7.07 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 5 K 8.15 3.88 0.00 1.83 1.91 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.48 7.81 6 C 8.25 4.21 0.00 3.06 3.09 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 0.00 0.00 0.00 0.00 7 C 7.64 4.13 0.00 2.83 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 8 H 8.19 4.56 0.00 3.25 3.36 0.00 5.84 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.30 4.12 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 0.78 0.00 0.00 0.94 0.00 0.00 10 G 7.28 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.06 4.83 0.00 3.06 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 12 T 8.11 4.47 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 13 K 8.58 4.02 0.00 1.84 1.93 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.55 1.51 7.81 14 R 8.04 3.92 0.00 1.89 1.95 0.00 3.19 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 15 S 7.74 4.23 0.00 4.11 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 16 L 8.01 4.42 0.00 1.92 1.84 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.31 4.09 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.63 3.83 0.00 1.95 1.39 0.00 3.27 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.55 0.00 19 F 7.96 4.44 0.00 3.29 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 20 C 7.85 4.32 0.00 3.01 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