NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4015 8.3044 120.3257 55.1161 34.1170 175.5756 2 V 3.8883 7.7733 116.7969 61.3764 31.4020 173.6925 3 I 4.2465 7.7277 119.4739 58.4463 39.9543 174.4504 4 A 4.5058 8.1404 130.4524 51.0444 21.6614 177.2975 5 T 3.9357 8.2330 116.1964 66.8791 68.0305 176.7554 6 D 4.3555 8.1633 120.6645 56.7649 38.9399 178.1172 7 D 4.1764 7.6025 117.0827 55.8588 41.1957 176.6978 8 L 4.6329 8.1143 118.4993 54.8566 44.0438 175.6421 9 E 5.2160 7.7436 117.3094 55.3566 35.2475 174.3062 10 V 4.5473 8.3496 117.5975 61.7615 35.4922 172.3948 11 A 4.4447 8.7965 130.2525 52.1490 19.2251 176.2930 12 C 4.1933 8.7694 123.0547 58.9936 32.0104 172.8773 13 P 4.2973 0.0000 0.0000 64.9531 31.2429 177.6072 14 K 4.0854 7.6718 120.0094 58.8556 32.7179 177.8683 15 C 4.6940 7.7446 111.5351 58.1254 29.3144 174.3761 16 E 3.5854 8.0088 115.9507 59.0645 29.0833 175.0812 *26 C 4.2737 7.6828 117.1102 58.4254 32.3047 172.4515 27 P 4.2782 0.0000 0.0000 65.3980 31.4318 178.5879 28 A 4.0943 8.2000 120.5122 54.5780 18.3188 177.6243 29 C 4.6003 7.9448 106.7006 57.1644 30.6669 173.4622 30 S 3.6473 8.5182 115.1015 60.0066 60.2491 173.9453 31 G 4.0348 8.0875 106.5165 45.6690 0.0000 175.2570 32 K 3.9629 7.6633 118.5127 57.1317 33.1649 176.9144 33 G 3.6934 8.0772 106.1421 45.4721 0.0000 172.5110 34 V 4.2899 7.7329 115.3519 63.2963 33.7338 169.6210 35 I 3.8394 7.5447 121.4296 61.1204 37.6566 175.6960 36 L 4.5927 8.4754 127.6918 54.5842 42.6005 177.1354 37 T 4.2869 8.2503 112.6592 61.0396 70.4067 175.6200 38 A 4.0516 8.8230 123.2407 55.5950 18.2907 179.3074 39 Q 3.9992 8.3431 117.6019 59.5015 28.9064 178.9792 40 G 3.5005 8.3276 106.7084 48.1570 0.0000 175.2281 41 Y 4.2121 7.8749 119.9097 60.7183 37.9741 178.5674 42 T 4.2154 8.2745 117.0190 67.0210 68.5374 176.2755 43 L 4.0841 7.8259 119.8027 57.7171 41.6556 179.1983 44 L 3.9798 8.0138 120.1674 58.4711 42.0410 178.6361 45 D 4.4357 9.0778 119.7863 57.4275 40.7752 178.7037 46 F 4.2803 8.1976 120.4477 61.4636 39.3533 177.3195 47 I 3.4053 8.1063 119.6066 64.3385 36.7179 178.2086 48 Q 3.8984 8.1389 119.5493 59.0731 28.9406 178.0278 49 K 4.0478 7.9419 119.5552 58.6163 32.2873 177.4363 50 H 4.6746 7.1270 113.2315 55.3942 30.5912 173.6223 51 L 4.0501 7.8941 127.0944 55.3525 41.8721 176.3650 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 M 8.30 4.40 0.00 2.02 2.20 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 2 V 7.77 3.89 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 0.74 0.00 0.00 0.92 0.00 0.00 3 I 7.73 4.25 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.05 0.90 0.00 0.00 4 A 8.14 4.51 1.34 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 0.00 0.00 5 T 8.23 3.94 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 1.20 0.00 0.00 6 D 8.16 4.36 0.00 2.93 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 7 D 7.60 4.18 0.00 2.90 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 8 L 8.11 4.63 0.00 1.66 1.62 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 9 E 7.74 5.22 0.00 1.78 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 10 V 8.35 4.55 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.93 0.00 0.00 11 A 8.80 4.44 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 12 C 8.77 4.19 0.00 3.15 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.30 0.00 2.22 2.17 0.00 3.82 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 14 K 7.67 4.09 0.00 1.88 1.86 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.37 7.81 15 C 7.74 4.69 0.00 3.09 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.01 3.59 0.00 2.10 2.09 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 2.22 2.27 0.00 *26 C 7.68 4.27 0.00 2.98 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 27 P 0.00 4.28 0.00 2.22 2.08 0.00 3.66 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 28 A 8.20 4.09 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 29 C 7.94 4.60 0.00 3.08 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 8.52 3.65 0.00 4.13 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 31 G 8.09 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.66 3.96 0.00 1.98 2.01 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.65 1.55 7.81 33 G 8.08 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 0.00 0.00 0.00 34 V 7.73 4.29 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 1.18 0.00 0.00 1.04 0.00 0.00 35 I 7.54 3.84 1.99 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 1.26 0.39 0.94 0.00 0.00 36 L 8.48 4.59 0.00 0.87 1.12 0.42 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.25 4.29 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 1.26 0.00 0.00 38 A 8.82 4.05 1.38 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 0.00 0.00 0.00 39 Q 8.34 4.00 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 40 G 8.33 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.87 4.21 0.00 3.17 3.14 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 42 T 8.27 4.22 4.43 0.00 0.00 0.00 0.00 0.00 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 43 L 7.83 4.08 0.00 1.87 1.78 0.94 0.92 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 44 L 8.01 3.98 0.00 2.13 1.88 0.90 0.98 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 45 D 9.08 4.44 0.00 2.87 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 46 F 8.20 4.28 0.00 3.21 3.38 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 0.00 47 I 8.11 3.41 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.82 0.88 0.00 0.00 48 Q 8.14 3.90 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.01 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 49 K 7.94 4.05 0.00 1.97 1.73 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.44 7.81 50 H 7.13 4.67 0.00 2.90 3.05 0.00 5.73 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.89 4.05 0.00 1.57 1.62 0.90 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.