NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.7242 8.0501 120.3733 62.5855 32.0802 175.0839 2 A 4.0854 7.4519 129.1231 49.1210 19.7856 176.8890 3 Y 4.2602 8.1464 117.6745 59.9683 39.3589 176.3159 4 W 4.3290 7.2141 117.9138 58.6936 28.5702 176.2113 5 R 4.4002 5.8400 119.5024 56.3473 30.2138 176.6633 6 Q 3.6985 8.6064 121.6317 56.2214 28.9237 173.5443 7 A 4.5819 8.6015 118.0865 51.5605 19.3609 176.6826 8 G 4.1567 8.2750 106.6359 45.9436 0.0000 174.8224 9 L 4.2595 7.5549 118.2528 54.8933 42.2152 176.4686 10 S 5.2093 8.3217 115.5075 56.8343 65.9317 174.1675 11 Y 3.5025 8.6510 119.4791 60.5488 38.3337 177.2533 12 I 3.6479 7.7857 120.4518 64.2867 37.3608 178.0567 13 R 3.7508 7.5277 118.5637 59.4051 29.8564 177.9072 14 Y 3.4166 6.9993 119.0577 60.6150 38.6188 177.9418 15 S 3.7885 7.8156 114.2738 61.0923 62.3278 175.6535 16 Q 3.8744 8.0686 122.6380 59.3213 28.7021 178.7316 17 I 3.5098 7.2555 119.9508 64.6134 37.1861 178.2310 18 C 3.8793 7.5171 117.1861 62.5683 28.0096 175.8708 19 A 3.9231 8.4725 122.8448 55.2380 17.8489 179.6397 20 K 3.8261 7.9289 117.6615 59.4198 32.2347 178.7559 21 A 3.9073 8.0281 121.1290 55.2543 18.0995 179.5776 22 V 3.5043 7.5483 115.2775 66.2273 31.5521 177.9873 23 R 4.0482 7.4824 116.1870 59.7065 30.0949 178.4594 24 D 4.4600 8.1615 116.9324 57.3401 40.8540 178.6106 25 A 4.0015 7.6774 120.1045 54.3874 18.5252 176.9123 *37 T 4.0259 7.5774 113.3970 63.7331 69.7596 173.1330 38 S 3.8586 8.4797 113.3796 59.5171 61.8684 172.4203 39 G 3.9981 7.0001 110.9110 47.7239 0.0000 173.6787 40 S 4.7790 7.7409 103.8665 58.5771 63.8447 176.8315 41 T 4.0388 8.2605 120.7472 66.5918 69.1170 175.7122 42 I 3.5905 7.2733 119.5175 60.7359 37.8817 174.7367 43 K 4.6255 8.1730 123.8066 54.4961 35.2432 175.6845 44 I 4.1282 8.2166 125.8546 61.0483 37.9908 176.5150 45 V 4.2797 7.9263 123.5990 60.5867 31.2211 172.7941 46 K 4.3006 8.0831 120.8787 55.4637 33.5984 178.1184 47 V 3.9677 8.1127 122.7436 63.1082 31.4717 173.7649 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 V 8.05 3.72 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 0.74 0.00 0.00 0.84 0.00 0.00 2 A 7.45 4.09 0.56 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 0.00 0.00 3 Y 8.15 4.26 0.00 3.07 3.09 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 4 W 7.21 4.33 0.00 3.60 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 R 5.84 4.40 0.00 0.99 1.34 0.00 2.93 0.00 0.00 2.98 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.43 0.00 6 Q 8.61 3.70 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.20 2.39 0.00 7 A 8.60 4.58 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 8 G 8.27 4.16 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 0.00 9 L 7.55 4.26 0.00 2.28 1.85 1.13 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.32 5.21 0.00 4.13 4.11 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.65 3.50 0.00 3.30 3.10 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 0.00 0.00 0.00 0.00 12 I 7.79 3.65 1.87 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.85 0.89 0.00 0.00 13 R 7.53 3.75 0.00 1.90 2.03 0.00 3.06 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 14 Y 7.00 3.42 0.00 1.65 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 0.00 0.00 0.00 15 S 7.82 3.79 0.00 3.48 3.76 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 16 Q 8.07 3.87 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.59 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 17 I 7.26 3.51 1.64 0.00 0.00 0.78 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 0.56 0.76 0.00 0.00 18 C 7.52 3.88 0.00 2.72 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.47 3.92 1.31 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 0.00 0.00 20 K 7.93 3.83 0.00 1.89 1.90 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.41 7.81 21 A 8.03 3.91 1.31 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 0.00 0.00 22 V 7.55 3.50 2.17 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 0.85 0.00 0.00 0.94 0.00 0.00 23 R 7.48 4.05 0.00 2.02 1.96 0.00 3.20 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 24 D 8.16 4.46 0.00 2.73 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.68 4.00 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 *37 T 7.58 4.03 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 38 S 8.48 3.86 0.00 4.06 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 39 G 7.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.74 4.78 0.00 3.76 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.26 4.04 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 1.21 0.00 0.00 42 I 7.27 3.59 1.87 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 1.30 0.72 0.91 0.00 0.00 43 K 8.17 4.63 0.00 1.62 1.61 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.49 7.81 44 I 8.22 4.13 1.87 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 1.30 0.93 0.91 0.00 0.00 45 V 7.93 4.28 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 0.86 0.00 0.00 0.93 0.00 0.00 46 K 8.08 4.30 0.00 1.90 1.82 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.42 7.81 47 V 8.11 3.97 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 0.75 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.