NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 H 4.7131 8.5445 117.3755 53.2607 30.5389 173.6990 *2 H 4.7186 7.0515 118.2813 54.6369 30.4492 177.4728 3 H 4.9848 8.5476 121.4602 54.7255 33.6397 173.4687 *4 H 4.1535 8.4918 120.9682 54.7083 28.3324 172.2063 5 A 4.5450 7.9130 118.6782 53.2812 20.7787 173.1481 6 M 4.7023 8.3169 112.3939 55.3728 34.3378 174.4170 7 D 4.9828 8.3875 116.2336 53.4805 44.5011 175.4626 8 T 4.9491 8.1232 116.6449 62.7477 69.4296 174.1059 9 Y 4.9889 9.9256 124.3488 56.0944 42.2416 174.4905 10 K 4.9009 9.3980 121.1734 54.7213 36.3432 174.4978 11 L 4.8966 8.9247 128.6481 52.9955 44.8118 174.9714 12 V 4.6833 8.6248 126.0370 61.0582 34.4914 174.0054 13 I 4.9578 9.1732 128.7460 59.3430 40.1072 174.6410 14 V 4.6842 8.6046 126.5998 59.4665 33.2974 175.9006 15 L 4.6635 8.2827 125.7007 56.7436 41.3300 176.9149 16 N 3.5992 8.5199 110.2502 55.5421 36.8819 173.9958 17 G 4.0192 9.1560 117.5899 45.8133 0.0000 172.2208 18 T 4.7191 7.5948 114.8147 62.0199 72.5042 172.8628 19 T 5.0816 8.3945 121.0336 61.7565 72.4248 172.8695 20 F 4.9027 9.0919 127.3525 56.8103 42.1036 174.3496 21 T 4.8742 7.2341 119.9239 61.8672 72.7135 172.6045 22 Y 4.7573 8.5815 124.5305 56.3487 42.1095 174.0596 23 T 5.2055 8.4913 122.1992 62.3782 72.0767 172.9714 24 T 4.4422 8.9304 117.3088 61.2958 71.4442 172.3235 25 E 4.6527 8.9154 125.2583 56.7472 30.1437 175.9846 26 A 4.4786 8.8109 122.2948 51.0928 22.6934 177.7166 27 V 3.5659 8.6175 120.9339 65.5465 32.0263 175.4400 28 D 4.8522 7.5981 115.2884 50.8129 42.3501 175.3426 29 A 3.5913 8.6406 119.4472 55.2044 18.0872 179.5795 30 A 3.8289 7.8468 118.8196 55.4014 18.3725 179.9310 31 T 3.6881 8.3551 114.5553 66.6567 68.4583 176.9825 32 A 3.4107 7.3082 122.3797 54.6274 18.2001 179.1854 33 E 3.1794 8.0244 118.2085 59.1266 29.5025 179.3294 34 K 3.8288 7.5158 118.4877 59.3827 32.1222 179.0156 35 V 3.5581 7.2756 118.0584 66.5209 31.3231 178.0715 36 F 4.8978 8.1433 117.2352 60.6315 38.5810 178.0576 37 K 4.1754 8.1142 117.3314 59.5034 31.9479 178.5639 38 Q 4.1333 8.1410 118.8809 59.5997 28.8888 177.7275 39 Y 4.2160 8.4655 119.9274 59.4859 39.8093 175.5068 40 A 4.6354 8.6564 122.5972 48.1431 17.8853 175.6127 41 N 5.2275 7.5138 133.6802 54.9259 38.8371 176.0941 42 D 4.5984 7.2072 116.3518 55.6418 41.1103 176.5211 43 N 4.5876 7.7558 114.3451 51.8351 39.6142 174.4176 44 G 3.8430 8.2437 106.6759 46.2141 0.0000 174.5121 45 V 3.6097 8.0500 119.4592 62.4658 31.9249 174.1923 46 D 4.9289 8.8304 126.9998 51.8679 42.7961 175.2002 47 G 4.0919 8.1493 113.4727 46.2936 0.0000 170.9921 48 E 4.7654 8.3655 121.3034 55.1791 30.9440 175.0686 49 W 5.4788 9.0651 125.9162 55.6957 31.8154 175.5962 50 T 4.9108 9.0786 118.6048 62.2406 72.6987 172.1468 51 Y 5.0540 8.8700 125.8245 55.6425 42.2627 173.9595 52 A 4.0923 7.5012 128.2073 51.6263 21.2783 177.0459 53 D 3.6768 7.9545 117.7584 55.6518 41.8266 178.6898 54 A 3.9488 8.7827 128.3363 53.7861 19.0150 178.6819 55 T 4.3224 7.5615 102.4187 60.3621 69.6352 174.0566 56 K 4.0534 7.5048 119.7694 56.9736 30.4932 174.0621 57 T 5.2353 7.2442 110.9337 60.3463 71.1017 172.3527 58 F 5.3726 9.1795 126.8041 56.3998 41.3336 174.7801 59 T 5.0495 9.4132 120.9458 61.5219 71.6597 173.4577 60 V 4.8345 8.6753 125.9223 59.8929 34.2157 174.7103 61 T 4.8896 9.8103 114.4584 58.9890 72.2106 173.9781 62 E 4.7363 7.6540 122.6386 56.6544 31.8296 176.6784 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 H 8.54 4.71 0.00 2.95 3.05 0.00 7.30 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 H 7.05 4.72 0.00 3.06 2.89 0.00 7.11 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 3 H 8.55 4.98 0.00 3.01 3.18 0.00 5.93 0.00 0.00 0.00 0.00 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *4 H 8.49 4.15 0.00 2.96 2.93 0.00 7.21 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 A 7.91 4.54 1.16 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 0.00 0.00 6 M 8.32 4.70 0.00 2.01 2.27 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 2.51 2.67 0.00 7 D 8.39 4.98 0.00 2.71 2.33 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 8 T 8.12 4.95 4.18 0.00 0.00 0.00 0.00 0.00 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 9 Y 9.93 4.99 0.00 2.82 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.40 4.90 0.00 1.84 1.63 0.00 1.53 0.00 0.00 1.52 0.00 0.00 2.73 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.25 1.30 7.81 11 L 8.92 4.90 0.00 0.27 0.72 0.49 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.62 4.68 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.85 0.00 0.00 13 I 9.17 4.96 2.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.73 0.91 0.00 0.00 14 V 8.60 4.68 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 0.82 0.00 0.00 0.92 0.00 0.00 15 L 8.28 4.66 0.00 1.74 1.61 1.02 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.52 3.60 0.00 2.74 3.16 0.00 0.00 7.36 7.98 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 17 G 9.16 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 18 T 7.59 4.72 4.41 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 1.24 0.00 0.00 19 T 8.39 5.08 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 20 F 9.09 4.90 0.00 3.16 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 21 T 7.23 4.87 3.98 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 0.00 0.00 1.10 0.00 0.00 22 Y 8.58 4.76 0.00 2.60 2.41 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 23 T 8.49 5.21 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 1.24 0.00 0.00 24 T 8.93 4.44 4.17 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 0.95 0.00 0.00 25 E 8.92 4.65 0.00 1.93 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 0.00 2.35 2.35 0.00 26 A 8.81 4.48 1.01 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 0.00 0.00 27 V 8.62 3.57 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 0.85 0.00 0.00 0.93 0.00 0.00 28 D 7.60 4.85 0.00 2.86 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 29 A 8.64 3.59 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.85 3.83 1.25 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 0.00 0.00 0.00 31 T 8.36 3.69 4.17 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 1.07 0.00 0.00 32 A 7.31 3.41 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.02 3.18 0.00 1.98 1.96 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 1.98 2.09 0.00 34 K 7.52 3.83 0.00 1.68 1.74 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.52 1.48 7.81 35 V 7.28 3.56 1.73 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 1.00 0.00 0.00 0.81 0.00 0.00 36 F 8.14 4.90 0.00 3.09 3.22 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 37 K 8.11 4.18 0.00 1.63 1.73 0.00 0.83 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.14 0.00 0.00 0.00 0.00 1.11 1.16 7.81 38 Q 8.14 4.13 0.00 2.15 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.92 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 39 Y 8.47 4.22 0.00 3.57 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 40 A 8.66 4.64 1.71 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 0.00 0.00 41 N 7.51 5.23 0.00 2.92 3.20 0.00 0.00 7.09 8.49 0.00 0.00 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 D 7.21 4.60 0.00 2.61 2.56 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 0.00 0.00 0.00 0.00 43 N 7.76 4.59 0.00 2.29 2.56 0.00 0.00 6.90 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.24 3.84 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 0.00 0.00 0.00 45 V 8.05 3.61 2.25 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 0.81 0.00 0.00 0.91 0.00 0.00 46 D 8.83 4.93 0.00 2.67 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 0.00 0.00 0.00 0.00 47 G 8.15 4.09 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 0.00 0.00 0.00 48 E 8.37 4.77 0.00 2.16 1.88 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 2.39 2.40 0.00 49 W 9.07 5.48 0.00 3.23 3.33 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 50 T 9.08 4.91 4.31 0.00 0.00 0.00 0.00 0.00 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 51 Y 8.87 5.05 0.00 2.98 2.80 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 52 A 7.50 4.09 0.97 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 0.00 0.00 53 D 7.95 3.68 0.00 2.89 2.68 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 0.00 0.00 0.00 0.00 54 A 8.78 3.95 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 55 T 7.56 4.32 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 1.13 0.00 0.00 56 K 7.50 4.05 0.00 1.71 1.31 0.00 1.18 0.00 0.00 1.12 0.00 0.00 2.76 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.33 1.16 7.81 57 T 7.24 5.24 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 58 F 9.18 5.37 0.00 3.16 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 T 9.41 5.05 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 1.21 0.00 0.00 60 V 8.68 4.83 1.61 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 -0.41 0.00 0.00 0.65 0.00 0.00 61 T 9.81 4.89 4.23 0.00 0.00 0.00 0.00 0.00 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 62 E 7.65 4.74 0.00 1.97 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 0.00 2.11 1.99 0.00 * Residues marked with a * may have inaccurate shift predictions.