NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1108 8.2431 120.8546 57.2913 31.2823 175.2630 2 G 4.0640 7.5107 110.7280 44.0903 0.0000 173.8584 3 S 4.0878 8.2061 115.5995 59.4486 64.7267 174.3328 4 L 4.0538 7.7295 123.5052 57.2354 42.0867 178.3173 5 R 3.7125 7.7736 118.6101 59.3308 29.9788 178.0250 6 D 4.2646 7.5387 118.4056 57.0593 40.7770 178.7820 7 L 3.9975 7.6613 119.7286 57.9929 41.8193 179.5071 8 Q 4.1018 8.1181 117.9686 59.2468 28.5534 178.6453 9 Y 4.2304 8.1632 117.1637 60.8496 37.9831 177.7899 10 A 4.0449 8.5605 122.2383 55.3235 18.4536 179.7540 11 L 4.0034 8.1677 117.6385 57.9173 41.8145 179.7545 12 Q 4.0245 8.0855 117.3478 59.1187 28.4677 178.1376 13 E 3.9212 8.4514 121.4455 58.9620 29.5848 178.9156 14 K 4.1094 8.1865 118.5539 59.4878 32.2424 179.2409 15 I 3.6707 7.7348 120.0584 64.5117 37.0955 178.1204 16 E 3.9569 8.0910 119.7483 59.2917 29.4053 178.6775 17 E 3.9915 8.5602 119.0752 59.3864 29.4927 179.3385 18 L 3.9969 8.2423 119.3437 57.6622 41.6467 179.5390 19 R 3.8997 7.9219 118.4405 59.4602 30.0399 178.6829 20 Q 3.9924 8.0741 117.8717 59.0063 28.7301 178.8271 21 R 3.9588 8.1915 119.1978 59.3562 30.0964 178.8461 22 D 4.3569 8.3478 118.5442 57.2562 40.7666 178.7041 23 A 4.0202 8.0221 121.3155 55.0623 18.3421 179.6770 24 L 3.9380 7.9510 117.5047 57.9916 41.6617 179.8720 25 I 3.7105 7.9039 119.7076 64.4377 37.1841 178.0492 26 D 4.3640 8.1239 119.7496 57.4526 40.6779 178.6989 27 E 3.9312 8.1705 119.5672 59.3678 29.6697 178.9025 28 L 4.0376 8.0961 119.0814 57.8265 41.6531 179.4009 29 E 3.9909 8.4520 118.7705 59.0631 29.3506 179.0907 30 L 3.9777 7.8629 120.2529 58.2391 42.1961 178.9504 31 E 4.0456 8.2806 118.5187 59.1593 29.3209 179.3523 32 L 4.0158 8.1606 119.4009 57.7933 41.7994 178.9993 33 D 4.3905 8.1593 118.8571 57.7379 40.8848 179.0794 34 Q 4.2460 8.0983 118.3245 58.6036 28.6825 178.7882 35 K 3.9985 8.1878 119.7776 59.6333 32.1311 179.1088 36 D 4.3965 8.1634 119.1066 57.3513 40.4343 178.7581 37 E 4.0276 7.8091 118.1253 59.1408 29.4983 179.0162 38 L 4.1449 7.5983 117.8710 57.9040 41.9515 179.2000 39 I 3.9041 7.8767 119.7597 64.2572 36.8814 178.6741 40 Q 4.2671 7.9920 116.8826 56.8845 28.5038 177.6772 *42 L 4.2793 7.8504 119.9935 54.5319 43.8916 179.1498 43 Q 3.9927 8.3693 117.5603 59.1910 28.4780 178.6007 44 N 4.3320 8.4976 117.7278 56.5097 38.5823 177.3637 45 E 4.0574 8.1384 119.3008 59.3297 29.6523 178.9990 46 L 4.0574 8.2248 119.2825 58.2332 41.5374 179.4767 47 D 4.5135 8.3011 117.4956 57.0288 40.9304 178.9613 48 K 4.1099 7.8223 119.2290 59.7007 32.2293 178.9189 49 Y 3.9312 8.0432 116.8795 61.1652 37.6258 178.6637 50 R 4.0163 8.3790 118.8857 59.3420 30.0664 178.2011 51 S 4.4629 7.6929 113.0157 59.6199 63.3760 174.2350 52 V 3.2741 7.0043 121.6159 63.9997 31.2918 175.4696 53 I 3.5163 8.4181 126.1157 61.4439 38.5514 172.7673 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 R 8.24 4.11 0.00 1.77 1.99 0.00 3.16 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 2 G 7.51 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 3 S 8.21 4.09 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 4 L 7.73 4.05 0.00 1.71 1.66 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 5 R 7.77 3.71 0.00 1.74 1.86 0.00 3.00 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.14 0.00 6 D 7.54 4.26 0.00 2.98 2.67 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 7 L 7.66 4.00 0.00 1.78 1.72 0.91 0.91 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 8 Q 8.12 4.10 0.00 2.23 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.83 0.00 0.00 0.00 0.00 0.00 2.42 2.64 0.00 9 Y 8.16 4.23 0.00 3.18 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 10 A 8.56 4.04 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.17 4.00 0.00 1.91 1.75 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 8.09 4.02 0.00 2.27 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.27 0.00 13 E 8.45 3.92 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.35 0.00 14 K 8.19 4.11 0.00 2.01 1.85 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.59 1.64 7.81 15 I 7.73 3.67 2.01 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 0.99 0.90 0.00 0.00 16 E 8.09 3.96 0.00 2.10 2.07 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 2.29 2.38 0.00 17 E 8.56 3.99 0.00 2.18 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 2.45 0.00 18 L 8.24 4.00 0.00 1.82 1.71 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 19 R 7.92 3.90 0.00 1.91 2.09 0.00 3.09 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 20 Q 8.07 3.99 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 21 R 8.19 3.96 0.00 2.03 1.98 0.00 3.18 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 22 D 8.35 4.36 0.00 2.85 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.02 4.02 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 24 L 7.95 3.94 0.00 1.90 1.73 0.92 0.61 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 25 I 7.90 3.71 2.00 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 1.52 0.65 0.91 0.00 0.00 26 D 8.12 4.36 0.00 2.87 2.73 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 27 E 8.17 3.93 0.00 2.10 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 0.00 2.30 2.48 0.00 28 L 8.10 4.04 0.00 1.86 1.70 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.45 3.99 0.00 2.01 1.99 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 2.33 2.48 0.00 30 L 7.86 3.98 0.00 1.79 1.92 0.92 0.74 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 31 E 8.28 4.05 0.00 2.21 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 2.46 0.00 32 L 8.16 4.02 0.00 1.85 1.71 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.16 4.39 0.00 2.93 2.73 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 34 Q 8.10 4.25 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 35 K 8.19 4.00 0.00 1.94 1.86 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.68 1.62 7.81 36 D 8.16 4.40 0.00 2.88 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 37 E 7.81 4.03 0.00 2.14 2.01 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 2.35 2.50 0.00 38 L 7.60 4.14 0.00 1.83 1.73 0.92 0.74 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 39 I 7.88 3.90 2.02 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 0.73 0.91 0.00 0.00 40 Q 7.99 4.27 0.00 2.30 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.39 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 *42 L 7.85 4.28 0.00 1.93 1.74 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.37 3.99 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.77 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 44 N 8.50 4.33 0.00 2.72 2.89 0.00 0.00 7.10 7.27 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 45 E 8.14 4.06 0.00 2.22 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 0.00 2.47 2.45 0.00 46 L 8.22 4.06 0.00 1.87 1.75 0.91 1.33 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 47 D 8.30 4.51 0.00 2.80 2.76 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 0.00 0.00 0.00 0.00 48 K 7.82 4.11 0.00 1.96 1.73 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.76 7.81 49 Y 8.04 3.93 0.00 3.22 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 50 R 8.38 4.02 0.00 1.91 2.16 0.00 3.27 0.00 0.00 3.29 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 51 S 7.69 4.46 0.00 4.06 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 52 V 7.00 3.27 2.21 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 0.73 0.00 0.00 0.92 0.00 0.00 53 I 8.42 3.52 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.80 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.