NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 V 4.0487 8.0544 120.3962 63.1621 31.5954 173.8180 7 D 4.5376 8.0777 122.8172 52.0968 40.1930 174.8500 8 C 5.1120 8.0186 122.2915 56.0571 42.0383 175.9335 9 S 4.0398 8.2044 117.4291 61.3834 62.4702 174.5813 10 E 4.3946 8.2262 118.6817 56.3720 29.4641 175.1364 11 Y 4.4873 7.6842 116.3764 55.1859 40.8935 173.6717 12 P 5.3228 0.0000 0.0000 62.2564 32.1052 175.4615 13 K 4.6267 9.1414 117.7842 53.6341 34.9641 176.2716 14 P 4.3875 0.0000 0.0000 65.2308 31.5256 175.9645 15 A 4.7229 7.2570 120.2765 51.1093 22.2667 174.4430 16 C 5.3162 8.4000 116.3398 55.2391 44.7825 175.6260 17 T 4.3882 7.9723 120.3343 61.3755 67.2655 175.5978 *19 D 4.3799 8.4233 120.0848 53.0921 40.1451 174.2349 20 Y 4.7974 8.4396 119.7512 56.1628 40.0555 175.1262 21 R 4.6030 8.5328 127.5351 52.8811 31.6013 172.4373 22 P 4.7332 0.0000 0.0000 62.8771 32.9771 175.7130 23 L 4.9078 8.8191 121.4666 53.0604 45.9874 174.6246 24 C 5.0016 8.7733 124.0615 55.1639 42.8777 173.3310 25 G 4.6429 9.0873 114.6006 45.4501 0.0000 174.3980 26 S 4.8284 9.3171 115.7449 59.8442 62.9524 174.9075 27 D 4.6358 8.1537 119.1964 52.8830 39.5008 175.8452 28 N 4.2587 8.3945 116.1356 54.4698 36.6974 173.5899 29 K 4.3823 8.1325 118.6754 54.7895 34.0149 175.1674 30 T 4.7543 8.1059 122.3271 62.5017 69.0472 173.9673 31 Y 4.3239 9.1286 125.8116 56.5313 39.2423 177.1895 32 G 3.6737 8.8861 113.3127 48.8008 0.0000 172.4646 33 N 5.5224 7.5832 116.7382 51.6579 40.8473 174.9540 34 K 3.8994 8.4368 120.3198 59.7871 32.1120 178.7652 35 C 4.5774 8.2244 119.4909 59.3937 38.0973 175.2742 36 N 4.3440 8.6971 117.9907 56.1076 38.0465 177.2789 37 F 3.3834 8.3175 122.0378 61.3133 39.5124 176.5544 38 C 3.7060 8.4099 116.3534 59.9204 34.0849 175.8669 39 N 4.1999 7.9446 117.7139 56.2996 38.1437 177.3445 40 A 3.9336 7.6231 121.8345 54.7420 18.3848 179.8400 41 V 3.1484 7.1594 117.0114 66.0354 31.6669 178.4804 42 V 3.5402 7.5270 117.9149 66.0540 31.1865 177.7634 43 E 4.1133 7.8625 116.5393 58.3455 29.4727 178.3369 44 S 4.3420 7.7563 112.8382 57.4031 64.3832 173.1544 45 N 4.1852 8.6439 118.9644 54.6516 35.8926 175.2251 46 G 3.9424 7.8273 102.9802 46.0192 0.0000 174.2287 47 T 3.9763 7.5248 109.8875 63.6822 69.2064 174.9258 48 L 4.2880 7.7453 124.4905 54.2568 42.8623 175.3315 49 T 4.8351 8.4401 114.8546 59.6894 73.1247 172.3859 50 L 4.2715 8.4756 123.9600 54.5344 42.1889 176.4040 51 S 4.3868 9.0370 123.9227 60.8389 63.5334 174.0241 52 H 4.7277 7.2221 112.1711 54.7630 31.2528 172.6730 53 F 4.2231 8.7533 118.1152 58.4252 39.3856 176.1608 54 G 3.9956 8.5449 110.3227 44.3102 0.0000 173.2214 55 K 4.2129 8.0608 117.3351 56.3478 33.3609 177.8493 56 C 4.5125 8.6088 117.2471 57.5645 41.0169 173.7748 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 6 V 8.05 4.05 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 1.02 0.00 0.00 1.03 0.00 0.00 7 D 8.08 4.54 0.00 2.80 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 5.11 0.00 2.98 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 9 S 8.20 4.04 0.00 4.04 4.05 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 10 E 8.23 4.39 0.00 1.79 1.78 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 2.26 2.32 0.00 11 Y 7.68 4.49 0.00 3.25 2.86 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 0.00 0.00 0.00 0.00 12 P 0.00 5.32 0.00 2.23 2.12 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 13 K 9.14 4.63 0.00 1.82 1.65 0.00 1.52 0.00 0.00 1.54 0.00 0.00 2.13 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.02 0.58 7.81 14 P 0.00 4.39 0.00 2.18 2.19 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 15 A 7.26 4.72 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.40 5.32 0.00 2.99 3.04 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 17 T 7.97 4.39 4.28 0.00 0.00 0.00 0.00 0.00 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 *19 D 8.42 4.38 0.00 2.89 2.82 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 20 Y 8.44 4.80 0.00 2.89 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 21 R 8.53 4.60 0.00 1.69 1.74 0.00 3.20 0.00 0.00 3.22 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 22 P 0.00 4.73 0.00 1.98 1.70 0.00 3.47 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.81 0.00 23 L 8.82 4.91 0.00 1.37 1.01 0.56 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.77 5.00 0.00 2.97 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 9.09 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.32 4.83 0.00 3.99 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 27 D 8.15 4.64 0.00 2.84 2.87 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 28 N 8.39 4.26 0.00 2.88 2.98 0.00 0.00 6.70 7.21 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 29 K 8.13 4.38 0.00 1.68 1.74 0.00 1.19 0.00 0.00 1.34 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.35 1.05 7.81 30 T 8.11 4.75 4.22 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 1.23 0.00 0.00 31 Y 9.13 4.32 0.00 3.12 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 32 G 8.89 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 33 N 7.58 5.52 0.00 2.97 2.91 0.00 0.00 6.36 7.09 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 34 K 8.44 3.90 0.00 1.88 1.91 0.00 1.80 0.00 0.00 1.84 0.00 0.00 3.10 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.54 1.51 7.81 35 C 8.22 4.58 0.00 3.22 3.36 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 0.00 0.00 0.00 36 N 8.70 4.34 0.00 3.07 3.07 0.00 0.00 6.72 7.72 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 37 F 8.32 3.38 0.00 2.92 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 38 C 8.41 3.71 0.00 1.44 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 0.00 0.00 0.00 39 N 7.94 4.20 0.00 2.82 2.88 0.00 0.00 6.95 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 40 A 7.62 3.93 1.15 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 41 V 7.16 3.15 1.76 0.00 0.00 0.00 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 -0.05 0.00 0.00 42 V 7.53 3.54 2.05 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 0.97 0.00 0.00 0.95 0.00 0.00 43 E 7.86 4.11 0.00 2.09 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 2.33 2.44 0.00 44 S 7.76 4.34 0.00 4.01 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 45 N 8.64 4.19 0.00 2.87 2.87 0.00 0.00 6.94 6.96 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 46 G 7.83 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 47 T 7.52 3.98 4.22 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 1.19 0.00 0.00 48 L 7.75 4.29 0.00 1.50 1.36 1.06 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.44 4.84 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 1.21 0.00 0.00 50 L 8.48 4.27 0.00 1.18 1.39 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 51 S 9.04 4.39 0.00 3.90 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 H 7.22 4.73 0.00 3.19 3.33 0.00 5.65 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.75 4.22 0.00 3.07 2.97 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 54 G 8.54 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.06 4.21 0.00 1.92 1.89 0.00 1.63 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.50 7.81 56 C 8.61 4.51 0.00 3.00 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 * Residues marked with a * may have inaccurate shift predictions.