NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3071 8.3044 120.3252 55.3150 33.2693 173.8037 2 D 4.3683 8.5857 121.4007 52.7241 40.7519 175.0177 3 N 4.7947 9.2991 124.4878 52.4829 38.9464 174.7242 4 R 4.2247 8.1652 118.8741 56.7796 30.7950 175.9385 5 Q 3.9796 8.5612 119.9239 54.2953 33.9309 173.5017 6 F 5.4477 7.9174 119.1726 55.7610 41.7828 174.6746 7 L 4.9729 8.8175 125.0888 53.1927 44.7030 175.1894 8 S 5.2541 8.6187 119.7397 56.8938 66.0639 172.6663 9 L 4.5216 8.5002 121.5172 55.3538 45.8392 174.1699 10 T 4.4576 8.1325 115.0437 62.8303 69.5432 173.9034 11 G 4.5668 8.8687 109.6451 46.4834 0.0000 173.8355 12 V 3.7744 7.1433 118.7297 62.4151 32.0802 176.2754 13 S 4.4731 9.3019 122.8967 61.2702 63.6025 174.0896 14 K 4.2412 7.6738 116.6137 56.2044 35.3651 174.8164 15 V 4.1941 8.3641 121.7478 61.5916 30.6038 174.9395 16 Q 4.1758 8.7581 129.6703 58.9922 29.6627 175.5415 17 S 4.6422 8.1850 110.8688 57.8737 66.8907 175.0904 18 F 4.9352 8.7712 125.7833 57.2410 41.1040 173.0694 19 D 4.7913 8.3611 125.8213 51.4569 44.1338 175.5570 20 P 4.1410 0.0000 0.0000 64.6388 31.6503 177.7493 21 K 4.3620 7.4302 116.3345 56.3174 33.5906 175.6092 22 E 5.1265 7.1857 117.0282 56.0784 33.9772 174.2584 23 I 4.8090 8.1840 126.9068 59.3846 41.0544 174.1022 24 L 5.2871 8.5492 126.6447 52.9697 44.5757 175.5466 25 L 5.0504 8.5233 123.7600 52.8549 45.8498 175.1939 26 E 4.7486 8.7575 125.1925 55.5094 30.9273 174.7805 27 T 4.4929 8.4539 120.8826 61.7219 70.3311 173.6147 28 I 3.4579 9.0059 124.1946 61.8631 37.1298 174.1650 29 Q 4.5744 7.9008 119.8883 56.5486 33.8278 175.2675 30 G 4.3383 7.9198 108.0376 43.5525 0.0000 172.0813 31 V 4.6122 7.5803 118.8238 60.7373 33.6061 174.2180 32 L 4.9275 8.5001 129.4826 53.4389 44.3797 174.5854 33 S 5.0001 8.7011 120.6532 56.6426 64.8871 172.3803 34 I 4.5829 8.5600 128.0097 59.5652 39.4408 174.7294 35 K 4.6648 8.3879 125.7080 54.5371 35.2698 176.3312 36 G 4.5169 7.6539 109.8594 46.2929 0.0000 171.8277 37 E 4.5779 7.5934 118.1049 55.5668 34.0117 175.0800 38 K 3.9266 8.4174 118.9022 57.7629 29.6903 176.8739 39 L 5.1152 6.9480 119.0304 52.5102 40.9728 176.9200 40 G 4.0156 7.5114 109.4344 43.4233 0.0000 170.8652 *46 L 4.1747 7.7632 123.6738 49.8804 44.2031 174.7906 47 K 3.5402 8.5770 119.6609 56.6813 32.1656 176.1985 48 A 3.5930 9.1982 119.9244 52.1934 16.9924 178.4550 49 G 4.0864 8.2468 102.6230 46.2953 0.0000 173.5686 50 Q 4.9249 7.4082 117.5322 53.6034 31.8324 175.5665 51 V 4.5399 8.2050 120.6831 60.0634 34.5203 174.4611 52 E 5.1341 8.8397 121.8629 54.7018 33.0698 175.3248 53 V 4.5888 8.5279 120.1266 61.2530 35.6931 173.5652 54 E 5.1574 9.7613 127.6167 53.4473 32.2708 175.4153 55 G 4.6516 8.1460 114.8673 45.8763 0.0000 170.4462 56 L 4.8377 7.4009 119.6468 54.0981 42.3957 176.1967 57 I 4.3500 8.3402 124.8660 60.9950 37.3375 175.0014 58 D 4.7479 8.4692 125.1628 54.6694 42.0247 175.8282 59 A 4.4998 7.2871 116.9816 51.8537 22.3506 175.0251 60 L 5.0019 8.5582 118.6945 53.0204 45.9297 176.2957 61 V 4.4819 8.5077 122.6301 61.3178 35.1473 173.5528 62 Y 4.8877 8.5104 128.0226 55.0991 42.0602 172.4726 63 P 4.4983 0.0000 0.0000 63.0274 32.4910 177.0285 64 L 4.8950 8.3020 125.5134 54.5847 40.4259 176.2756 65 E 4.1298 7.9191 119.1754 57.1561 28.5072 175.0010 66 H 4.6149 7.9858 126.0305 56.5336 34.1267 174.5223 67 H 4.4433 8.3621 115.2609 55.6841 28.9875 174.2943 68 H 4.3540 8.4263 120.6780 55.9919 32.0935 170.9866 69 H 3.9110 8.1955 121.6151 55.6742 29.7479 173.3559 70 H 4.3930 8.6464 120.4852 58.2775 29.3641 175.1584 71 H 4.5356 8.0819 123.7160 56.4668 29.7258 175.1992 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 M 8.30 4.31 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 D 8.59 4.37 0.00 2.69 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 3 N 9.30 4.79 0.00 2.82 2.86 0.00 0.00 6.31 7.65 0.00 0.00 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 8.17 4.22 0.00 1.80 1.93 0.00 3.30 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 5 Q 8.56 3.98 0.00 1.79 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.70 0.00 0.00 0.00 0.00 0.00 2.05 2.34 0.00 6 F 7.92 5.45 0.00 2.98 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.82 4.97 0.00 1.76 1.53 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.62 5.25 0.00 3.89 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 8.50 4.52 0.00 1.82 1.52 0.94 0.49 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 10 T 8.13 4.46 4.25 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 1.22 0.00 0.00 11 G 8.87 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.14 3.77 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 0.92 0.00 0.00 0.96 0.00 0.00 13 S 9.30 4.47 0.00 3.89 3.98 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 14 K 7.67 4.24 0.00 1.80 1.90 0.00 1.49 0.00 0.00 1.75 0.00 0.00 2.77 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.35 7.81 15 V 8.36 4.19 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 0.91 0.00 0.00 0.91 0.00 0.00 16 Q 8.76 4.18 0.00 2.12 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.63 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 17 S 8.18 4.64 0.00 3.93 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.77 4.94 0.00 3.01 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 19 D 8.36 4.79 0.00 2.78 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.14 0.00 2.15 2.22 0.00 3.56 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 21 K 7.43 4.36 0.00 1.70 1.84 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.35 7.81 22 E 7.19 5.13 0.00 1.91 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.03 0.00 23 I 8.18 4.81 1.87 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.68 1.08 0.00 0.00 24 L 8.55 5.29 0.00 1.53 1.75 0.96 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.52 5.05 0.00 1.55 1.56 1.02 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.76 4.75 0.00 2.03 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 2.28 2.34 0.00 27 T 8.45 4.49 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 1.30 0.00 0.00 28 I 9.01 3.46 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.58 0.94 0.00 0.00 29 Q 7.90 4.57 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.91 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 30 G 7.92 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.58 4.61 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.91 0.00 0.00 32 L 8.50 4.93 0.00 1.98 1.60 1.06 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.70 5.00 0.00 3.93 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.56 4.58 1.88 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 1.40 1.52 0.93 0.00 0.00 35 K 8.39 4.66 0.00 1.76 1.65 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.35 7.81 36 G 7.65 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.59 4.58 0.00 1.94 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 38 K 8.42 3.93 0.00 1.97 1.84 0.00 1.66 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.44 7.81 39 L 6.95 5.12 0.00 1.79 1.58 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.51 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 *46 L 7.76 4.17 0.00 1.59 1.54 0.96 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.58 3.54 0.00 1.95 1.74 0.00 1.88 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.35 7.81 48 A 9.20 3.59 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 49 G 8.25 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 0.00 0.00 0.00 50 Q 7.41 4.92 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.54 0.00 0.00 0.00 0.00 0.00 2.29 2.50 0.00 51 V 8.20 4.54 2.05 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 0.74 0.00 0.00 0.94 0.00 0.00 52 E 8.84 5.13 0.00 1.84 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 2.22 2.26 0.00 53 V 8.53 4.59 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 1.00 0.00 0.00 1.06 0.00 0.00 54 E 9.76 5.16 0.00 2.09 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 2.32 2.50 0.00 55 G 8.15 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.40 4.84 0.00 1.82 1.79 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.34 4.35 1.86 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 0.54 1.00 0.00 0.00 58 D 8.47 4.75 0.00 2.68 2.66 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 59 A 7.29 4.50 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.56 5.00 0.00 1.49 1.55 0.92 0.89 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 61 V 8.51 4.48 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 0.90 0.00 0.00 0.94 0.00 0.00 62 Y 8.51 4.89 0.00 3.05 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 63 P 0.00 4.50 0.00 1.83 1.89 0.00 3.08 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.94 0.00 64 L 8.30 4.90 0.00 1.88 1.98 1.07 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 65 E 7.92 4.13 0.00 2.00 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 2.29 0.00 66 H 7.99 4.61 0.00 3.09 3.29 0.00 5.73 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 H 8.36 4.44 0.00 3.35 3.36 0.00 5.75 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.43 4.35 0.00 3.02 3.30 0.00 6.08 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 H 8.20 3.91 0.00 3.39 3.24 0.00 5.78 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 H 8.65 4.39 0.00 3.25 3.33 0.00 5.76 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 H 8.08 4.54 0.00 3.07 3.18 0.00 5.95 0.00 0.00 0.00 0.00 6.91 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.