NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3752 8.3344 115.2890 58.2689 63.1425 172.6770 3 I 4.2882 7.2281 120.4462 57.0974 40.6715 173.5125 4 T 4.1775 8.5526 118.1285 61.0851 70.8380 173.9366 5 S 4.2219 8.6170 115.8242 61.7655 62.8221 175.7522 6 D 4.4832 8.3051 119.5055 57.7727 40.6696 178.8354 7 E 4.1025 8.3041 119.0876 59.2513 29.4243 179.7897 8 V 3.8499 7.8822 118.9400 64.7803 31.6850 177.6900 9 N 4.5365 8.4494 116.5292 56.6289 38.3741 176.4034 10 F 4.1114 8.6246 121.3515 61.7841 39.4009 177.5064 11 L 4.1098 7.7800 117.1498 57.7405 41.3447 179.7480 12 V 3.4931 7.9384 118.0681 66.1481 31.5223 177.1356 13 Y 4.0977 8.3150 119.7120 61.0987 38.4890 178.2445 14 R 3.5417 7.9391 118.6168 59.3923 30.2579 178.0262 15 Y 4.0581 8.1726 118.9557 60.9396 38.6316 178.4253 16 L 3.9084 8.6642 120.5430 58.0036 41.8069 179.2609 17 Q 3.8236 7.5756 117.5450 59.3269 28.4844 179.3275 18 E 3.8803 7.8276 117.7773 59.3236 29.6141 179.0503 19 S 4.2245 7.4480 112.5694 58.8587 63.0636 175.0217 20 G 3.5982 7.6125 109.8641 46.0916 0.0000 175.4569 21 F 4.5234 7.9713 119.1087 56.0382 35.5534 176.2371 22 S 4.0136 7.5238 117.7266 61.9452 62.8872 174.5011 23 H 4.3025 8.1520 118.3555 59.2363 28.3100 177.8167 24 S 4.2446 8.2095 115.8713 61.5814 63.0006 175.9601 25 A 4.0999 8.4811 123.9749 55.4622 17.5981 179.3040 26 F 4.1480 8.8648 119.0958 61.9685 39.4863 177.5602 27 T 3.8917 8.0288 115.1680 66.5770 68.3521 176.5636 28 F 4.1829 9.3556 123.7707 61.2698 39.5388 177.0356 29 G 3.7976 8.7946 105.7758 48.3249 0.0000 175.6598 30 I 3.6535 7.2085 121.4887 63.3764 37.0074 178.1858 31 E 3.8577 8.3365 119.8548 57.8579 29.3759 177.8717 32 S 4.3554 7.0921 112.9556 57.8433 64.5103 173.7057 33 H 3.9777 7.5385 117.3651 57.1734 27.1121 176.9180 34 I 3.6721 7.3341 122.0934 64.0179 38.1704 177.9190 35 S 4.1594 7.8527 113.7330 61.2415 62.9714 175.2718 36 Q 4.0862 7.4667 117.2081 57.4053 28.5939 176.5155 37 S 4.2503 7.5788 113.3452 57.8821 63.4832 174.1848 38 N 4.6851 8.4394 126.5215 53.1490 37.3739 174.4284 39 I 4.2413 7.1362 119.0716 59.2732 41.1223 175.3160 40 N 4.7080 8.2611 122.6052 51.8105 39.7147 175.3370 41 G 4.0643 8.5811 116.1582 48.0737 0.0000 175.0674 42 T 4.0301 8.0278 109.1277 64.2181 69.1167 175.6577 43 L 3.9898 7.4531 121.0535 57.3561 41.7337 177.2572 44 V 3.8095 7.3634 118.6643 61.6725 30.6420 173.8477 45 P 4.5752 0.0000 0.0000 61.1264 32.3222 174.6591 46 P 4.3436 0.0000 0.0000 63.8253 31.7169 176.6588 47 A 3.7735 9.0011 120.0975 53.1973 17.5468 179.6018 48 A 3.9722 7.9678 118.8939 55.1573 18.5294 180.0122 49 L 3.9144 7.9879 118.4655 58.3638 42.3350 179.0093 50 I 3.7185 8.1376 120.3855 64.3733 36.8390 178.4901 51 S 4.2953 8.0486 114.0458 60.7548 63.2259 176.1986 52 I 3.9918 7.5740 124.0236 63.8153 36.2258 177.6113 53 L 4.0851 8.3498 121.0125 57.1868 41.8308 178.7574 54 Q 4.1075 8.1057 119.8985 59.3652 29.1783 177.8853 55 K 4.2420 7.7117 119.4705 58.8064 31.7989 179.7282 56 G 3.6136 7.7750 105.5859 47.8004 0.0000 175.3812 57 L 4.1525 7.4162 123.3901 57.6658 41.6924 178.9971 58 Q 4.3269 8.1487 118.3666 58.7692 28.5684 177.3928 59 Y 4.2390 8.0378 119.0894 59.6132 39.1317 177.8512 60 V 3.6945 7.4005 118.2290 66.4103 31.7529 177.6767 61 E 4.0388 8.1774 117.2537 58.7954 28.9059 179.0038 62 A 4.0389 7.6281 120.9644 54.7345 17.0913 179.0929 63 E 4.0347 7.8756 115.8280 58.5156 29.4006 179.1135 64 I 4.1259 7.5875 119.3359 63.4485 37.5005 177.3555 65 S 4.4495 7.6948 113.6692 59.7037 63.4780 175.8380 66 I 3.9041 7.3069 117.0376 63.4916 37.7492 176.1155 *67 N 4.5069 7.3910 120.9332 52.4397 38.2211 178.9231 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 S 8.33 4.38 0.00 3.84 3.87 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 0.00 0.00 0.00 3 I 7.23 4.29 1.87 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 1.47 1.00 0.92 0.00 0.00 4 T 8.55 4.18 4.25 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 5 S 8.62 4.22 0.00 3.89 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 6 D 8.31 4.48 0.00 2.74 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 7 E 8.30 4.10 0.00 2.22 2.04 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 2.33 2.33 0.00 8 V 7.88 3.85 2.12 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 1.00 0.00 0.00 0.97 0.00 0.00 9 N 8.45 4.54 0.00 3.13 3.15 0.00 0.00 6.73 8.13 0.00 0.00 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 F 8.62 4.11 0.00 3.28 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 11 L 7.78 4.11 0.00 2.14 1.76 1.02 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.94 3.49 1.69 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 0.72 0.00 0.00 0.97 0.00 0.00 13 Y 8.31 4.10 0.00 3.44 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 14 R 7.94 3.54 0.00 2.03 2.09 0.00 3.18 0.00 0.00 2.98 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.78 0.00 15 Y 8.17 4.06 0.00 3.06 3.07 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 0.00 0.00 0.00 0.00 16 L 8.66 3.91 0.00 1.70 1.67 0.61 0.86 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 Q 7.58 3.82 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.80 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 18 E 7.83 3.88 0.00 1.78 1.92 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 2.28 2.35 0.00 19 S 7.45 4.22 0.00 3.68 3.72 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 20 G 7.61 3.60 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 0.00 21 F 7.97 4.52 0.00 3.13 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 22 S 7.52 4.01 0.00 3.78 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 23 H 8.15 4.30 0.00 3.29 3.39 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.21 4.24 0.00 4.09 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 25 A 8.48 4.10 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.86 4.15 0.00 3.26 3.40 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 27 T 8.03 3.89 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 28 F 9.36 4.18 0.00 3.15 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.79 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 30 I 7.21 3.65 1.68 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 1.41 0.76 0.77 0.00 0.00 31 E 8.34 3.86 0.00 1.91 1.80 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 2.21 2.22 0.00 32 S 7.09 4.36 0.00 3.58 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.54 3.98 0.00 3.16 3.32 0.00 5.63 0.00 0.00 0.00 0.00 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.33 3.67 1.48 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 1.35 1.36 0.40 0.00 0.00 35 S 7.85 4.16 0.00 4.00 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 36 Q 7.47 4.09 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.89 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 37 S 7.58 4.25 0.00 3.96 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.44 4.69 0.00 2.68 2.71 0.00 0.00 6.85 7.94 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 39 I 7.14 4.24 1.42 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 1.30 0.81 -0.29 0.00 0.00 40 N 8.26 4.71 0.00 2.62 2.60 0.00 0.00 7.06 8.40 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 41 G 8.58 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 0.00 0.00 0.00 42 T 8.03 4.03 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 43 L 7.45 3.99 0.00 2.03 1.75 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.36 3.81 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.93 0.00 0.00 45 P 0.00 4.58 0.00 2.12 2.01 0.00 3.81 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.21 0.00 46 P 0.00 4.34 0.00 2.19 2.00 0.00 3.77 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 47 A 9.00 3.77 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.97 3.97 1.47 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 49 L 7.99 3.91 0.00 1.96 1.65 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.14 3.72 1.92 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 1.58 0.74 0.93 0.00 0.00 51 S 8.05 4.30 0.00 4.06 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 7.57 3.99 1.87 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 1.41 1.14 0.90 0.00 0.00 53 L 8.35 4.09 0.00 1.95 1.74 0.86 0.55 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 54 Q 8.11 4.11 0.00 2.35 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 55 K 7.71 4.24 0.00 1.85 1.84 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.64 7.81 56 G 7.77 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.42 4.15 0.00 2.12 1.85 0.93 0.79 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 58 Q 8.15 4.33 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.60 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 59 Y 8.04 4.24 0.00 3.02 3.16 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 60 V 7.40 3.69 2.19 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 0.97 0.00 0.00 1.05 0.00 0.00 61 E 8.18 4.04 0.00 2.04 1.98 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 2.40 2.38 0.00 62 A 7.63 4.04 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 63 E 7.88 4.03 0.00 1.88 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 2.10 1.94 0.00 64 I 7.59 4.13 1.96 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 1.69 0.48 0.89 0.00 0.00 65 S 7.69 4.45 0.00 3.96 3.96 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 66 I 7.31 3.90 1.84 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 1.38 0.62 0.95 0.00 0.00 *67 N 7.39 4.51 0.00 2.49 2.65 0.00 0.00 6.85 7.44 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 * Residues marked with a * may have inaccurate shift predictions.