NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 G 3.9018 8.2085 109.7364 45.6703 0.0000 175.6910 -1 A 3.8446 8.0236 121.3955 53.9017 18.9925 178.2937 0 S 4.0720 8.8316 114.6596 62.0577 63.3502 174.9433 1 M 4.0499 8.1196 120.7494 58.5449 31.7542 178.3808 2 D 4.3247 7.9516 118.4024 57.4109 41.0175 178.7758 3 A 4.0349 8.4175 121.6342 55.0415 18.2286 179.8647 4 I 3.6364 7.9472 118.4095 64.4318 37.1802 178.5677 5 K 3.8737 8.1278 119.4123 59.4111 31.8732 179.1014 6 K 3.8666 8.0002 119.5823 59.5818 32.1527 178.7092 7 K 3.9392 8.0539 119.7728 59.7544 32.0805 178.7126 8 M 4.0841 8.4163 119.4465 58.1285 31.8774 178.3424 9 Q 3.9514 8.4419 120.2015 59.6960 29.1653 178.4798 10 M 4.0979 8.2236 119.5779 58.4396 32.0639 178.7933 11 L 4.1611 7.9612 119.1786 57.2574 41.7821 179.3963 12 K 3.9313 8.1176 119.9319 59.3198 32.0893 178.5358 13 L 3.9489 7.9628 120.5993 58.3246 41.9810 178.5560 14 D 4.3526 8.3644 119.0389 57.2742 40.7290 178.8136 15 K 3.8923 7.9252 119.4975 59.5626 32.2223 178.5291 16 E 3.9528 8.1950 118.7699 59.7883 29.4587 179.3267 17 N 4.3648 8.5832 116.3385 55.9748 38.4334 177.4858 18 A 4.0264 7.9233 122.5514 55.0439 18.4615 179.6897 19 L 3.9288 8.1346 117.6507 57.8184 41.6790 179.3550 20 D 4.3221 8.2482 118.8842 57.5020 40.7459 178.7390 21 R 3.9077 7.9880 118.1775 59.4647 30.1042 178.7287 22 A 3.9836 8.1152 120.2044 55.4474 18.4152 179.5448 23 E 3.9126 8.5604 117.3649 59.5448 29.4629 179.7809 24 Q 3.9180 8.2303 117.8359 58.9673 28.7772 178.5579 25 A 4.0429 8.2517 122.0350 55.2211 18.1608 179.5467 26 E 3.8891 8.2314 116.1291 59.4762 29.8731 179.1110 27 A 4.1339 8.0681 120.8742 55.2264 18.3239 179.4868 28 D 4.0226 8.1113 117.5312 56.9881 40.7570 178.7085 29 K 3.9243 8.2184 120.3992 59.7166 32.1742 178.2307 *215 D 4.6512 7.9154 117.4591 54.3681 43.2083 177.6928 216 F 4.0689 8.1150 120.6109 61.6185 39.3276 176.9661 217 Y 4.3896 8.1279 116.6412 60.8285 37.6062 178.2484 218 F 4.2884 8.7438 122.4648 61.2488 39.6433 177.5542 219 G 3.5115 8.4493 105.6936 47.5530 0.0000 175.6845 220 K 3.8443 7.6899 121.1674 58.9831 32.2375 178.4764 221 L 4.0253 7.9602 120.5250 57.8284 42.0430 178.5801 222 R 3.8816 7.6936 120.5551 59.3973 30.1046 176.4889 *223 N 4.5606 7.6816 118.7869 52.3356 37.7261 176.5430 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 -2 G 8.21 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 A 8.02 3.84 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 S 8.83 4.07 0.00 3.87 3.92 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 0.00 0.00 0.00 0.00 1 M 8.12 4.05 0.00 2.05 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 2.75 2.64 0.00 2 D 7.95 4.32 0.00 2.82 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 3 A 8.42 4.03 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.95 3.64 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 1.52 0.78 0.91 0.00 0.00 5 K 8.13 3.87 0.00 1.95 1.87 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.59 7.81 6 K 8.00 3.87 0.00 1.98 1.93 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 7 K 8.05 3.94 0.00 2.05 1.89 0.00 1.57 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.52 7.81 8 M 8.42 4.08 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.54 0.00 9 Q 8.44 3.95 0.00 2.22 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 10 M 8.22 4.10 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.58 0.00 11 L 7.96 4.16 0.00 1.85 1.71 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.12 3.93 0.00 1.84 1.99 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 13 L 7.96 3.95 0.00 1.81 1.85 0.92 1.05 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 14 D 8.36 4.35 0.00 2.88 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 15 K 7.93 3.89 0.00 1.86 2.00 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 16 E 8.19 3.95 0.00 2.13 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 2.55 2.47 0.00 17 N 8.58 4.36 0.00 2.84 2.86 0.00 0.00 6.97 7.21 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 18 A 7.92 4.03 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 19 L 8.13 3.93 0.00 1.84 1.72 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.25 4.32 0.00 2.84 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 21 R 7.99 3.91 0.00 2.15 2.01 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 22 A 8.12 3.98 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.56 3.91 0.00 2.12 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 0.00 2.32 2.35 0.00 24 Q 8.23 3.92 0.00 2.31 2.13 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 2.36 2.50 0.00 25 A 8.25 4.04 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 26 E 8.23 3.89 0.00 2.16 2.02 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 2.33 2.38 0.00 27 A 8.07 4.13 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.11 4.02 0.00 2.87 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 29 K 8.22 3.92 0.00 1.97 2.07 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.57 7.81 *215 D 7.92 4.65 0.00 2.99 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 0.00 216 F 8.12 4.07 0.00 3.04 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 0.00 217 Y 8.13 4.39 0.00 3.27 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 0.00 218 F 8.74 4.29 0.00 3.19 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 219 G 8.45 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 K 7.69 3.84 0.00 1.43 1.72 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.38 1.30 7.81 221 L 7.96 4.03 0.00 1.82 1.73 0.93 0.78 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 0.00 222 R 7.69 3.88 0.00 1.50 1.67 0.00 3.06 0.00 0.00 2.68 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.50 0.00 *223 N 7.68 4.56 0.00 2.81 2.56 0.00 0.00 6.94 7.29 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 * Residues marked with a * may have inaccurate shift predictions.