NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.8989 8.4393 118.1137 57.6096 40.8094 171.4885 2 Y 4.4519 8.1622 117.6483 56.2972 41.5607 171.0499 3 C 5.2038 8.5168 116.6721 55.2420 43.8195 174.9778 4 R 5.1530 9.0887 122.8121 54.7291 33.6080 173.6314 5 I 4.9761 8.6952 125.1103 59.1175 39.6045 173.8624 6 P 4.4890 0.0000 0.0000 63.5396 32.1578 175.2852 7 A 4.6104 7.3763 119.9196 50.9720 21.9043 176.4587 8 C 4.5609 8.5237 117.4323 56.8555 41.4369 173.2560 9 I 4.4157 8.3041 114.7675 58.2980 39.6982 174.8602 10 A 4.1929 8.3002 123.3838 54.1541 18.3506 178.0338 11 G 3.9692 9.0777 110.4509 44.8843 0.0000 173.1114 12 E 4.8097 7.6340 118.0858 54.9622 32.0893 175.5555 13 R 4.4540 8.5739 119.4790 54.3712 33.5580 174.8954 14 R 4.5175 8.1865 123.8980 55.4455 31.0936 175.2314 15 Y 4.8832 8.6074 121.6606 58.3619 39.8829 175.4583 *17 T 4.4568 7.8248 115.3726 63.7610 70.0022 174.0164 18 C 4.7692 9.3214 123.1220 56.0452 42.5121 173.0134 19 I 5.0992 8.4021 123.5998 60.1965 38.3387 174.5367 20 Y 4.8748 9.2448 128.1961 57.4549 41.8418 174.8807 21 Q 3.2414 9.4434 125.1445 56.9993 26.4270 174.4287 22 G 3.9611 8.5904 102.2891 46.0385 0.0000 174.0988 23 R 4.6606 8.0181 117.6906 53.9313 33.6838 173.9856 24 L 5.3968 8.1217 119.2424 53.3603 43.2046 176.1632 25 W 5.2852 9.2834 122.1624 54.4992 34.0627 174.4519 26 A 4.4543 8.9703 124.3239 52.0712 19.3782 176.5152 27 F 4.8603 8.8705 124.5816 57.3591 40.8257 175.0066 28 C 5.1755 8.3659 124.1231 55.1192 44.2575 173.8269 29 C 4.5619 8.7909 119.3883 57.1517 42.0276 173.9560 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 C 8.44 4.90 0.00 2.67 2.27 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 0.00 2 Y 8.16 4.45 0.00 2.85 2.89 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 3 C 8.52 5.20 0.00 1.96 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.09 5.15 0.00 1.59 1.65 0.00 3.22 0.00 0.00 3.46 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 5 I 8.70 4.98 1.68 0.00 0.00 -0.57 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 0.65 0.76 0.00 0.00 6 P 0.00 4.49 0.00 2.16 2.14 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 7 A 7.38 4.61 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 8 C 8.52 4.56 0.00 2.91 3.06 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 9 I 8.30 4.42 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.91 0.95 0.00 0.00 10 A 8.30 4.19 1.27 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 0.00 0.00 0.00 11 G 9.08 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 0.00 0.00 0.00 12 E 7.63 4.81 0.00 1.98 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 13 R 8.57 4.45 0.00 1.46 1.36 0.00 3.22 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 14 R 8.19 4.52 0.00 1.68 1.68 0.00 3.15 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.77 0.00 15 Y 8.61 4.88 0.00 3.25 2.98 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 0.00 *17 T 7.82 4.46 4.29 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 1.37 0.00 0.00 18 C 9.32 4.77 0.00 3.08 3.05 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 19 I 8.40 5.10 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.65 0.99 0.00 0.00 20 Y 9.24 4.87 0.00 2.86 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.44 3.24 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.15 0.00 0.00 0.00 0.00 0.00 1.71 1.16 0.00 22 G 8.59 3.96 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 0.00 0.00 0.00 23 R 8.02 4.66 0.00 1.90 1.31 0.00 3.03 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.69 0.00 24 L 8.12 5.40 0.00 1.48 1.62 0.93 0.89 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 25 W 9.28 5.29 0.00 3.21 3.23 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 26 A 8.97 4.45 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 27 F 8.87 4.86 0.00 3.11 3.12 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 28 C 8.37 5.18 0.00 2.05 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 8.79 4.56 0.00 2.91 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 * Residues marked with a * may have inaccurate shift predictions.