NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 A 4.3064 8.2229 123.5821 52.0992 21.1008 179.6932 *8 K 3.8130 7.9919 120.6621 59.3755 31.6514 180.3971 9 A 4.1977 8.3468 123.4786 54.9686 18.7418 179.1534 10 A 4.0330 8.0760 121.3582 55.8531 18.5035 180.3230 *11 F 4.0570 8.4620 121.9294 62.5430 38.0547 180.0504 *12 D 4.6457 8.3178 124.1606 59.2551 39.5864 181.6695 *13 S 4.4425 8.0184 122.4591 63.8243 62.1686 178.5489 *14 L 4.2399 8.2269 128.4931 60.1109 40.5722 181.6849 *15 Q 4.2000 8.7090 121.0827 60.3377 27.9652 181.5578 16 A 4.2558 8.2414 124.9171 55.6952 18.2026 180.5124 *17 S 4.0648 8.1666 116.1378 63.5449 62.4574 178.0833 18 A 4.3998 8.3352 126.3464 55.9612 18.1898 179.0899 *19 T 4.1498 8.5216 114.9349 63.8865 68.7139 178.2227 *20 E 4.6137 8.2121 122.1827 58.8374 31.4635 180.2306 *21 Y 4.3217 8.4078 124.4440 63.0444 37.0844 179.2640 *22 I 4.0567 7.7790 122.0959 64.5067 35.6265 180.1121 23 G 4.0111 8.0988 109.3107 49.0200 0.0000 175.4845 *24 Y 4.0023 8.6849 124.7349 61.0522 36.2159 179.8611 25 A 4.2442 8.6158 124.5876 55.7032 18.5501 180.3597 *26 W 4.2547 8.7348 121.6668 61.6420 28.3994 180.0793 27 A 4.1188 8.6373 124.6075 55.7866 17.6192 179.8351 *28 M 4.1682 8.3649 121.6712 59.8826 31.6529 182.4571 *29 V 3.9586 9.3576 122.7717 66.6196 31.4451 181.8277 *30 V 3.8746 8.5314 123.2697 66.5297 31.5881 181.0570 *31 V 4.1048 7.6267 122.5686 66.6709 31.2157 181.1948 *32 I 4.0455 8.6954 123.4014 65.5868 35.1457 181.8461 *33 V 4.0002 8.0910 122.0112 65.8409 30.8981 180.1603 34 G 3.9162 9.2428 107.1863 47.7559 0.0000 175.3677 35 A 4.0980 8.3427 126.1268 55.3985 18.2218 180.2934 *36 T 3.9303 8.6662 115.6803 66.8013 68.3715 179.3298 *37 I 4.1014 9.1286 121.8162 65.1864 35.8773 179.9123 38 G 3.9546 9.5528 110.9414 48.4074 0.0000 176.3859 *39 I 3.8495 8.8790 124.9221 64.8690 35.9652 181.4932 *40 K 4.3324 7.9160 127.6658 59.8264 31.5283 181.8932 *41 L 4.2525 9.1041 126.3239 60.2647 40.6990 182.8779 *42 F 4.1593 8.0888 123.0311 62.1666 37.8805 179.6592 *43 K 4.3526 7.8957 124.8309 60.6233 31.5774 183.4360 *44 K 4.4530 8.1418 126.7255 59.6738 32.0126 179.8816 *45 F 4.5661 8.5501 122.4787 56.4642 39.0235 176.3553 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 7 A 8.22 4.31 1.33 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 0.00 0.00 *8 K 7.99 3.81 0.00 1.86 1.83 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.14 7.81 9 A 8.35 4.20 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.08 4.03 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.46 4.06 0.00 2.29 2.31 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 *12 D 8.32 4.65 0.00 2.69 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 *13 S 8.02 4.44 0.00 3.72 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 *14 L 8.23 4.24 0.00 1.64 1.68 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 *15 Q 8.71 4.20 0.00 2.01 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 16 A 8.24 4.26 1.33 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 0.00 0.00 *17 S 8.17 4.06 0.00 3.69 3.80 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 18 A 8.34 4.40 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 *19 T 8.52 4.15 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 *20 E 8.21 4.61 0.00 1.95 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 2.26 2.25 0.00 *21 Y 8.41 4.32 0.00 2.31 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 *22 I 7.78 4.06 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 1.57 0.54 0.91 0.00 0.00 23 G 8.10 4.01 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 0.00 *24 Y 8.68 4.00 0.00 2.29 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 25 A 8.62 4.24 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.73 4.25 0.00 2.47 2.32 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.64 4.12 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 *28 M 8.36 4.17 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.41 0.00 *29 V 9.36 3.96 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 0.71 0.00 0.00 0.93 0.00 0.00 *30 V 8.53 3.87 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 0.71 0.00 0.00 0.93 0.00 0.00 *31 V 7.63 4.10 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 0.71 0.00 0.00 0.93 0.00 0.00 *32 I 8.70 4.05 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 1.38 0.54 0.91 0.00 0.00 *33 V 8.09 4.00 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 0.73 0.00 0.00 0.93 0.00 0.00 34 G 9.24 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 0.00 0.00 0.00 35 A 8.34 4.10 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *36 T 8.67 3.93 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 *37 I 9.13 4.10 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 1.45 1.10 0.91 0.00 0.00 38 G 9.55 3.95 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 0.00 0.00 0.00 *39 I 8.88 3.85 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 1.38 0.70 0.91 0.00 0.00 *40 K 7.92 4.33 0.00 1.75 1.85 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.07 7.81 *41 L 9.10 4.25 0.00 1.47 1.70 0.92 1.07 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 *42 F 8.09 4.16 0.00 2.37 2.24 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 0.00 *43 K 7.90 4.35 0.00 1.87 1.73 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.33 7.81 *44 K 8.14 4.45 0.00 1.88 1.75 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.39 1.32 7.81 *45 F 8.55 4.57 0.00 2.20 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.