NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 C 4.7452 8.4393 118.1712 57.3053 41.5812 173.2768 10 T 3.7427 8.6652 111.3322 62.6137 69.3290 173.1129 11 C 4.5578 9.1108 121.6298 56.0859 40.9373 174.8802 12 I 3.7533 8.3533 126.9143 63.6890 37.1855 176.2086 13 S 4.6557 7.4764 112.0636 57.1814 65.2500 173.5266 14 I 4.5713 7.9829 114.0243 59.0069 40.0197 174.9004 15 S 4.5548 8.7942 117.9453 57.7092 63.1755 173.6469 16 N 4.8516 8.5145 121.9917 53.0324 39.2028 174.8700 17 Q 4.2668 7.8823 118.8076 54.3614 29.5404 174.3212 18 P 4.2833 0.0000 0.0000 62.7385 31.9729 175.7181 19 V 4.1282 8.0625 122.0487 60.8610 32.8092 174.7307 20 N 4.4805 8.6454 126.0432 52.5219 38.8033 173.3063 21 P 3.8172 0.0000 0.0000 65.6880 31.1538 178.1668 22 R 4.2371 8.0866 116.2659 57.5116 30.5061 176.9760 23 S 4.5195 8.9631 112.9702 58.2747 63.9857 173.8585 24 L 4.4843 7.1973 121.4004 54.6853 41.7698 176.0697 25 E 4.3297 9.0639 125.8951 58.2463 30.6404 176.1410 26 K 4.6326 7.6039 117.8314 55.1599 35.9334 174.0780 27 L 5.2715 8.4623 126.6525 53.1530 44.9312 175.0387 28 E 4.7431 9.3730 124.6835 54.5638 32.2827 174.7110 29 I 4.7605 8.4331 124.4807 59.6764 39.3073 175.0916 30 I 4.3787 8.7768 129.0134 58.6679 38.7960 173.5512 31 P 4.6756 0.0000 0.0000 62.4281 32.1477 176.4020 32 A 4.3020 8.6195 124.3047 52.5364 18.5847 177.2237 33 S 4.7170 8.8096 119.6143 57.5710 64.6917 174.0174 34 Q 4.1374 8.2792 114.6846 58.2378 29.4070 177.2137 35 F 4.4448 7.4645 116.4977 59.6639 39.4229 176.1661 36 C 4.9399 8.1620 120.6829 54.1022 46.1414 172.4734 37 P 4.3201 0.0000 0.0000 63.9670 31.3846 175.7646 38 R 4.8962 7.4153 114.6874 54.1347 32.8895 175.0952 39 V 4.0777 8.4202 120.1266 61.8723 32.4771 175.0400 40 E 4.7479 9.1151 123.7036 54.5361 32.7512 174.9010 41 I 4.8891 8.3661 124.2890 59.7679 39.9685 174.3540 42 I 4.8884 8.8936 128.9414 59.4009 39.7543 174.5544 43 A 5.0572 9.2240 129.6736 50.6225 21.4219 175.5317 44 T 4.7520 9.0310 119.8021 62.1820 70.1010 174.1554 45 M 4.6542 8.7441 127.0029 54.6672 33.5540 177.9634 46 K 3.8527 10.2484 123.4680 60.6267 32.5443 181.9454 47 K 4.1681 6.4426 110.4821 55.7896 33.7078 174.9913 48 K 4.5557 7.7692 121.1016 56.9132 33.4708 176.5514 49 G 4.3253 8.1802 102.1999 45.2634 0.0000 173.7203 50 E 4.2012 7.5873 117.7625 55.8169 30.5926 176.3460 51 K 4.8625 8.5859 123.3139 56.1486 34.0238 176.3784 52 R 4.4907 8.4346 121.1414 55.7642 34.1539 173.3219 53 C 5.0555 8.8890 124.0783 56.7535 41.7501 172.6575 54 L 5.1616 8.7864 122.6356 52.8210 44.5556 176.0733 55 N 4.5733 8.5387 119.8243 52.0306 38.5652 174.1020 56 P 4.4155 0.0000 0.0000 64.8831 31.5930 177.0067 57 E 4.2889 8.7510 118.3054 57.8875 30.6740 177.3573 58 S 4.2202 7.7191 112.3468 58.6375 64.3249 174.9451 59 K 4.0118 8.5501 126.5789 59.2672 32.0486 179.0463 60 A 4.1015 8.1517 123.1292 55.4831 18.0889 180.1363 61 I 3.8231 7.6076 118.1816 65.0242 35.5218 181.5230 62 K 4.0827 7.8505 120.2776 59.5727 31.7664 179.1319 63 N 4.2161 8.2010 116.3950 55.8900 38.3142 176.9285 64 L 3.8978 7.5969 122.0170 58.6262 41.8278 179.2965 65 L 4.0964 7.5133 117.1682 57.4650 41.5744 179.2651 66 K 4.0428 7.3233 117.1720 59.5240 32.1477 178.4657 67 A 4.1266 7.8741 119.6313 55.3506 18.2717 179.5325 68 V 3.6862 7.2617 115.9371 66.1990 31.9970 176.7392 *69 S 4.2690 7.8658 117.5421 58.2610 62.9233 175.3310 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 9 C 8.44 4.75 0.00 3.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.67 3.74 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 1.20 0.00 0.00 11 C 9.11 4.56 0.00 3.12 3.25 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 12 I 8.35 3.75 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 1.47 0.34 0.91 0.00 0.00 13 S 7.48 4.66 0.00 3.93 3.79 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 14 I 7.98 4.57 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 1.01 0.91 0.00 0.00 15 S 8.79 4.55 0.00 3.82 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.51 4.85 0.00 2.73 2.81 0.00 0.00 7.02 7.69 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 17 Q 7.88 4.27 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 18 P 0.00 4.28 0.00 2.04 1.99 0.00 3.65 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 19 V 8.06 4.13 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 0.78 0.00 0.00 0.93 0.00 0.00 20 N 8.65 4.48 0.00 2.84 2.71 0.00 0.00 6.92 7.71 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 21 P 0.00 3.82 0.00 2.25 2.33 0.00 3.74 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 22 R 8.09 4.24 0.00 1.82 2.02 0.00 3.35 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 23 S 8.96 4.52 0.00 3.84 4.09 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 24 L 7.20 4.48 0.00 1.89 1.66 0.92 0.86 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 25 E 9.06 4.33 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 26 K 7.60 4.63 0.00 1.83 1.57 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.43 7.81 27 L 8.46 5.27 0.00 1.62 1.48 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.37 4.74 0.00 2.02 2.01 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 2.39 2.24 0.00 29 I 8.43 4.76 1.88 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 1.35 0.90 0.92 0.00 0.00 30 I 8.78 4.38 1.89 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 1.24 0.78 0.95 0.00 0.00 31 P 0.00 4.68 0.00 1.95 2.01 0.00 3.71 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 32 A 8.62 4.30 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 33 S 8.81 4.72 0.00 3.87 3.83 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 0.00 0.00 0.00 34 Q 8.28 4.14 0.00 1.89 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 7.14 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 35 F 7.46 4.44 0.00 3.11 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 36 C 8.16 4.94 0.00 2.91 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.32 0.00 2.22 2.15 0.00 3.78 0.00 0.00 3.72 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 38 R 7.42 4.90 0.00 1.77 1.88 0.00 3.04 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 39 V 8.42 4.08 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 0.73 0.00 0.00 1.00 0.00 0.00 40 E 9.12 4.75 0.00 1.93 1.87 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 2.23 2.41 0.00 41 I 8.37 4.89 2.04 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 1.35 0.53 0.91 0.00 0.00 42 I 8.89 4.89 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 1.16 0.80 0.91 0.00 0.00 43 A 9.22 5.06 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 44 T 9.03 4.75 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 1.28 0.00 0.00 45 M 8.74 4.65 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.79 0.00 46 K 10.25 3.85 0.00 1.74 1.85 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.46 1.52 7.81 47 K 6.44 4.17 0.00 1.78 1.75 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.42 7.81 48 K 7.77 4.56 0.00 1.76 1.67 0.00 1.75 0.00 0.00 1.82 0.00 0.00 3.18 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.46 7.81 49 G 8.18 4.33 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 0.00 50 E 7.59 4.20 0.00 2.17 2.10 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 2.29 2.29 0.00 51 K 8.59 4.86 0.00 1.66 1.77 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.37 7.81 52 R 8.43 4.49 0.00 1.87 1.72 0.00 3.08 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 53 C 8.89 5.06 0.00 3.09 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 54 L 8.79 5.16 0.00 1.45 1.56 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 55 N 8.54 4.57 0.00 2.82 2.71 0.00 0.00 6.66 7.71 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 56 P 0.00 4.42 0.00 2.22 2.17 0.00 3.81 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.17 0.00 57 E 8.75 4.29 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 58 S 7.72 4.22 0.00 3.86 3.89 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 59 K 8.55 4.01 0.00 1.91 1.78 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.56 7.81 60 A 8.15 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 61 I 7.61 3.82 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 1.64 0.71 0.91 0.00 0.00 62 K 7.85 4.08 0.00 1.97 1.91 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.47 1.81 7.81 63 N 8.20 4.22 0.00 2.76 2.85 0.00 0.00 6.59 6.75 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 64 L 7.60 3.90 0.00 1.86 1.91 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.51 4.10 0.00 1.59 1.72 0.98 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.32 4.04 0.00 1.86 1.88 0.00 1.88 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.74 7.81 67 A 7.87 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 68 V 7.26 3.69 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 0.97 0.00 0.00 *69 S 7.87 4.27 0.00 3.64 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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.