NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 D 4.6220 8.3649 120.3141 52.8219 41.5105 175.9825 10 V 3.7804 7.8042 111.7843 61.1675 32.7281 174.0501 11 L 4.4977 7.5631 120.2706 53.0694 42.2321 174.8813 12 T 5.1345 8.0207 112.3064 59.8414 72.1719 173.8790 13 V 4.0562 8.8283 113.7383 62.8537 34.0066 177.2770 *25 K 4.3176 7.9612 119.2378 55.6911 33.8667 174.0330 26 P 4.6603 0.0000 0.0000 62.4032 32.1272 176.6928 27 L 3.9228 8.8718 124.4156 58.5731 41.8947 179.6893 28 R 3.9219 8.1031 115.2355 59.7475 28.9692 178.3727 29 D 4.3774 8.1292 119.3187 57.2331 40.7663 178.8561 30 S 4.1475 8.1345 115.8984 61.2823 62.7830 176.8872 31 V 3.5262 7.6450 120.6340 65.7766 31.3562 177.9659 32 K 3.8647 8.0144 118.2442 59.6465 31.9640 179.0916 33 Q 3.8941 8.0716 119.4652 59.0013 28.9621 178.0240 34 A 3.9599 8.0651 121.8564 55.1844 18.4270 179.6762 35 L 3.6474 7.8851 117.4308 57.5179 41.5950 179.7265 36 K 3.8080 7.9393 118.4877 59.6770 31.8199 179.0600 37 N 4.3608 7.9082 115.1423 56.3637 38.6430 176.6214 38 Y 4.3781 7.9609 120.8335 60.9462 39.0368 177.9950 39 F 4.2591 8.6635 118.7845 60.6364 38.7480 177.4498 40 A 4.1436 7.8152 118.8036 54.5525 18.2280 178.9060 41 Q 4.1663 7.9412 115.3254 58.0716 29.3757 176.1145 42 L 4.1677 7.2623 119.4760 53.3779 43.7668 175.7661 *47 V 3.9640 7.9910 117.8345 63.7486 32.0888 175.5057 48 N 5.1536 8.7070 120.8967 52.8129 38.5944 173.8171 49 D 4.9761 7.9748 117.2089 52.6765 40.4923 177.3130 50 L 3.9972 8.4289 123.7955 59.3573 41.9650 177.4755 51 Y 3.9862 8.0548 118.8707 60.7607 38.8440 177.4279 52 E 3.9121 8.3312 119.7350 59.1063 29.6529 178.1978 53 L 3.8754 8.2049 120.6785 58.2464 42.2444 179.2815 54 V 3.4460 7.7456 118.0288 65.7380 31.3929 177.5191 55 L 3.7209 7.9407 120.3309 58.2009 41.6649 178.8766 56 A 3.8787 8.1168 122.0287 54.5748 18.1625 178.9959 57 E 3.8657 7.6521 116.0838 57.9230 29.9997 177.9892 58 V 4.0113 7.1569 117.0075 64.9741 32.6044 177.4161 59 E 3.8542 8.6046 119.2354 59.1978 29.1729 178.7759 60 Q 3.5262 7.1024 119.8699 58.7636 29.0063 177.0128 61 P 4.1475 0.0000 0.0000 65.5754 31.2590 177.9813 62 L 3.8583 7.6346 119.5897 57.9651 41.9731 178.9508 63 L 3.9738 8.2438 119.2375 57.8191 41.4845 179.0817 64 D 4.3592 8.2812 119.0087 57.8989 40.7569 178.9504 65 M 4.0572 8.3924 119.3095 58.3648 31.9144 179.1528 66 V 3.6215 7.9949 118.4331 66.3504 31.6800 178.0540 67 M 4.1045 8.3143 118.6399 58.2540 31.8339 178.6143 68 Q 3.9476 8.3738 119.9809 59.4097 29.0891 177.5683 69 Y 4.1217 8.2325 119.8178 60.3640 39.0398 177.2088 70 T 4.2667 8.1853 108.5700 60.4655 69.1235 174.6632 71 R 3.9082 8.3495 119.4487 57.8821 28.8587 176.1072 72 A 3.6138 8.7406 115.6918 52.9216 16.7515 178.8844 73 N 4.6273 7.7029 117.8629 53.8674 39.1634 175.4029 74 Q 4.0024 8.5697 128.2972 59.2758 28.8906 178.8719 75 T 3.8395 7.9321 116.0498 66.9166 68.6221 176.6770 76 R 3.9298 8.4871 119.6002 59.0872 30.0586 179.0889 77 A 3.9992 8.3469 120.5419 55.0907 18.4670 179.4158 78 A 3.9662 8.5346 119.6027 55.4363 18.2418 179.8353 79 L 3.9545 7.8816 116.2088 58.0926 41.7575 179.1224 80 M 4.1750 7.8768 117.0238 59.0866 32.3167 178.0502 81 M 4.2610 7.9897 117.3650 56.2469 32.1016 177.2236 82 G 3.9078 8.2485 106.6991 45.7942 0.0000 173.0087 83 I 4.6474 7.3826 110.8467 57.6325 40.7795 175.1274 84 N 4.6396 8.3686 119.6799 52.5167 39.3372 176.1013 85 R 3.9939 8.5102 120.3768 59.4216 30.1690 178.5218 86 G 3.6554 8.0896 105.1015 48.3124 0.0000 175.6509 87 T 3.9488 8.8069 118.6479 65.9363 68.3600 176.6794 88 L 3.9458 7.8989 122.2902 58.4187 42.2084 179.3739 89 R 3.9388 8.2792 118.1605 58.9759 29.8318 179.0696 90 K 3.9602 7.9680 119.6287 59.3119 32.2681 179.1335 91 K 3.9671 8.1054 118.8349 59.4146 31.9445 179.1893 92 L 4.0817 8.1322 119.3809 57.8518 41.5463 179.6498 93 K 3.8762 8.1217 119.4120 59.2361 31.9291 178.4413 94 K 3.6562 7.9505 119.2960 59.6319 31.8343 177.2398 95 Y 4.6488 7.6544 114.5714 56.8797 37.7620 175.9522 96 G 3.7285 8.2008 107.8895 47.3178 0.0000 174.5737 97 M 4.4734 8.7071 116.9957 54.6469 32.2789 176.4735 98 N 4.4581 8.2830 122.2812 53.9804 38.6975 174.6931 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 9 D 8.36 4.62 0.00 2.79 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 10 V 7.80 3.78 2.06 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 0.70 0.00 0.00 0.91 0.00 0.00 11 L 7.56 4.50 0.00 1.66 1.58 0.89 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.02 5.13 4.30 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 1.20 0.00 0.00 13 V 8.83 4.06 2.06 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 0.67 0.00 0.00 0.95 0.00 0.00 *25 K 7.96 4.32 0.00 1.80 1.83 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.46 7.81 26 P 0.00 4.66 0.00 2.20 1.95 0.00 3.87 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 27 L 8.87 3.92 0.00 1.79 1.66 0.88 1.08 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 28 R 8.10 3.92 0.00 2.06 2.19 0.00 3.01 0.00 0.00 3.33 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 29 D 8.13 4.38 0.00 2.91 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.13 4.15 0.00 3.99 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 31 V 7.65 3.53 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 1.02 0.00 0.00 0.88 0.00 0.00 32 K 8.01 3.86 0.00 1.99 1.82 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.65 7.81 33 Q 8.07 3.89 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 34 A 8.07 3.96 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 35 L 7.89 3.65 0.00 1.57 0.93 0.86 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 36 K 7.94 3.81 0.00 1.92 1.86 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.68 7.81 37 N 7.91 4.36 0.00 2.87 2.90 0.00 0.00 7.06 6.73 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 38 Y 7.96 4.38 0.00 3.02 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 39 F 8.66 4.26 0.00 3.13 2.91 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 40 A 7.82 4.14 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 41 Q 7.94 4.17 0.00 1.99 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.77 0.00 0.00 0.00 0.00 0.00 2.68 2.64 0.00 42 L 7.26 4.17 0.00 1.62 1.52 0.70 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 *47 V 7.99 3.96 2.14 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 1.02 0.00 0.00 1.01 0.00 0.00 48 N 8.71 5.15 0.00 2.83 2.82 0.00 0.00 5.89 8.06 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 49 D 7.97 4.98 0.00 2.83 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.43 4.00 0.00 1.96 1.87 1.14 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 8.05 3.99 0.00 3.17 3.02 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 52 E 8.33 3.91 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 2.42 2.47 0.00 53 L 8.20 3.88 0.00 1.86 1.82 0.85 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.75 3.45 1.91 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 0.82 0.00 0.00 0.91 0.00 0.00 55 L 7.94 3.72 0.00 1.42 1.66 0.75 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.12 3.88 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.65 3.87 0.00 1.80 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 2.22 2.26 0.00 58 V 7.16 4.01 1.97 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 0.93 0.00 0.00 0.87 0.00 0.00 59 E 8.60 3.85 0.00 1.79 1.89 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 2.32 2.43 0.00 60 Q 7.10 3.53 0.00 1.87 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.80 0.00 0.00 0.00 0.00 0.00 1.87 2.29 0.00 61 P 0.00 4.15 0.00 2.23 2.22 0.00 3.47 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.08 0.00 62 L 7.63 3.86 0.00 1.80 1.84 0.88 0.77 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 63 L 8.24 3.97 0.00 1.81 1.72 1.04 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.28 4.36 0.00 2.86 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 65 M 8.39 4.06 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.82 0.00 66 V 7.99 3.62 2.10 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 1.07 0.00 0.00 0.98 0.00 0.00 67 M 8.31 4.10 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.80 0.00 68 Q 8.37 3.95 0.00 2.20 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 69 Y 8.23 4.12 0.00 3.05 3.17 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 0.00 0.00 0.00 70 T 8.19 4.27 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 1.41 0.00 0.00 71 R 8.35 3.91 0.00 1.93 2.00 0.00 3.37 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 72 A 8.74 3.61 1.36 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 0.00 0.00 73 N 7.70 4.63 0.00 2.81 2.79 0.00 0.00 7.23 8.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 8.57 4.00 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.67 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 75 T 7.93 3.84 4.40 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 1.22 0.00 0.00 76 R 8.49 3.93 0.00 2.02 2.03 0.00 3.15 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 77 A 8.35 4.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.53 3.97 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.88 3.95 0.00 1.80 1.76 0.94 0.82 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 80 M 7.88 4.18 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 81 M 7.99 4.26 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.54 0.00 82 G 8.25 3.91 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 0.00 83 I 7.38 4.65 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.79 0.93 0.00 0.00 84 N 8.37 4.64 0.00 3.02 3.01 0.00 0.00 5.66 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 85 R 8.51 3.99 0.00 1.91 1.97 0.00 3.20 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 86 G 8.09 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 T 8.81 3.95 4.38 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 1.23 0.00 0.00 88 L 7.90 3.95 0.00 1.80 1.88 0.95 1.06 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 89 R 8.28 3.94 0.00 2.04 1.97 0.00 3.18 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 90 K 7.97 3.96 0.00 1.94 1.99 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.45 7.81 91 K 8.11 3.97 0.00 2.09 2.01 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.68 7.81 92 L 8.13 4.08 0.00 1.89 1.76 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.12 3.88 0.00 1.93 1.90 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.60 7.81 94 K 7.95 3.66 0.00 1.60 1.58 0.00 1.61 0.00 0.00 1.21 0.00 0.00 2.67 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.43 1.14 7.81 95 Y 7.65 4.65 0.00 3.12 2.94 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 96 G 8.20 3.73 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 0.00 0.00 0.00 97 M 8.71 4.47 0.00 2.01 2.27 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.53 0.00 98 N 8.28 4.46 0.00 2.72 2.77 0.00 0.00 6.91 7.56 0.00 0.00 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.