NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.5378 8.4549 120.6381 57.3744 44.9884 172.4535 2 I 2.9037 8.1428 120.8138 61.3175 33.8742 172.5753 3 K 4.2749 8.4583 123.0932 55.5264 34.7484 176.3206 4 N 5.6596 8.0793 124.8068 50.7396 36.6457 174.1299 5 G 4.1513 7.4243 114.5258 45.9691 0.0000 172.2255 6 N 4.2007 7.4934 118.9539 54.1627 39.2258 174.5759 7 G 4.0397 8.3681 112.9955 46.5893 0.0000 173.2580 8 C 4.4872 8.5142 126.8226 58.7272 44.0379 172.2934 9 Q 4.4919 7.8823 116.9945 53.9723 27.7598 174.8491 10 P 4.2963 0.0000 0.0000 65.0140 32.1653 179.7584 11 N 4.6990 8.1585 113.3644 51.6849 37.0190 173.9647 12 G 4.0160 8.4201 103.3733 48.3363 0.0000 175.0077 13 S 4.4709 7.7989 112.1377 58.9166 65.0148 173.7476 14 Q 4.4310 7.0467 116.4296 54.3923 31.6158 173.1589 15 G 4.8186 8.2606 117.5151 45.5798 0.0000 171.3793 16 N 4.7551 8.1919 119.0970 52.7787 42.0638 174.3181 17 C 5.0490 8.3689 121.0648 55.1619 44.4464 175.6014 18 C 4.1069 9.1510 121.2837 60.3030 40.0340 175.7254 19 S 4.0693 8.2018 113.1150 59.3930 62.8374 174.4150 20 G 3.9212 8.1437 108.0295 46.7888 0.0000 172.9329 21 Y 5.1666 7.6166 115.0606 56.2900 38.1927 175.1285 22 C 4.9514 8.1244 117.2909 56.9073 41.3553 174.3581 23 H 4.9629 8.6850 123.0185 54.1626 32.0033 172.9435 24 K 5.0667 8.2519 124.8990 54.8517 35.3489 174.8657 25 Q 4.1563 7.1807 123.6869 53.4386 32.2287 174.2341 26 P 4.3109 0.0000 0.0000 62.2259 30.0008 177.2122 27 G 4.0230 6.7520 101.6185 45.6242 0.0000 172.0044 28 W 4.7462 7.0082 112.5776 55.4235 30.9703 175.0027 29 V 3.6996 8.9232 120.1402 65.6493 31.3350 175.6038 30 A 5.0041 7.8770 119.9803 49.9703 21.1221 175.7909 31 G 3.9367 9.2259 110.8978 45.0891 0.0000 173.0151 32 Y 5.3906 7.3559 123.0329 56.0560 40.2281 175.3035 33 C 4.8228 8.8094 118.6614 57.1388 41.5344 172.8513 34 R 4.9486 8.5103 122.6588 55.0592 31.2146 176.7367 35 R 4.3655 8.6734 120.8777 58.1822 31.1571 176.8585 36 K 4.2313 7.9243 120.2619 57.5587 31.9297 174.7917 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 4.54 0.00 2.95 3.06 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 0.00 0.00 0.00 2 I 8.14 2.90 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.67 0.96 0.00 0.00 3 K 8.46 4.27 0.00 1.82 1.66 0.00 1.57 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.47 7.81 4 N 8.08 5.66 0.00 2.62 2.49 0.00 0.00 7.44 7.77 0.00 0.00 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 G 7.42 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.49 4.20 0.00 2.74 2.73 0.00 0.00 6.97 8.47 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 7 G 8.37 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 8 C 8.51 4.49 0.00 3.03 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.88 4.49 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.60 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 10 P 0.00 4.30 0.00 2.05 2.11 0.00 3.73 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 11 N 8.16 4.70 0.00 2.77 2.84 0.00 0.00 6.02 7.01 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 12 G 8.42 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 13 S 7.80 4.47 0.00 3.85 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 14 Q 7.05 4.43 0.00 1.97 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.18 2.35 0.00 15 G 8.26 4.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.19 4.76 0.00 2.65 2.65 0.00 0.00 6.85 7.66 0.00 0.00 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 C 8.37 5.05 0.00 2.99 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.15 4.11 0.00 2.98 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 19 S 8.20 4.07 0.00 4.09 4.06 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 0.00 0.00 0.00 20 G 8.14 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.62 5.17 0.00 2.96 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 22 C 8.12 4.95 0.00 2.88 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 23 H 8.69 4.96 0.00 2.90 2.69 0.00 5.72 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.25 5.07 0.00 1.86 1.56 0.00 2.00 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.27 1.70 7.81 25 Q 7.18 4.16 0.00 1.39 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.98 0.00 0.00 0.00 0.00 0.00 1.82 2.01 0.00 26 P 0.00 4.31 0.00 2.08 1.98 0.00 3.49 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.83 0.00 27 G 6.75 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 28 W 7.01 4.75 0.00 3.33 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 8.92 3.70 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.99 0.00 0.00 30 A 7.88 5.00 1.22 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 0.00 0.00 31 G 9.23 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 0.00 0.00 0.00 32 Y 7.36 5.39 0.00 2.99 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 33 C 8.81 4.82 0.00 3.18 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 34 R 8.51 4.95 0.00 1.56 1.85 0.00 3.11 0.00 0.00 2.74 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.64 0.00 35 R 8.67 4.37 0.00 1.85 2.02 0.00 3.25 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 36 K 7.92 4.23 0.00 1.84 1.76 0.00 1.66 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.35 7.81