NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.3768 8.2644 123.5911 51.6064 20.6121 176.7076 5 H 4.6911 7.9137 111.5909 54.5879 32.6884 171.4929 6 F 4.7876 8.4420 126.5077 57.0590 43.0717 172.6103 7 F 4.0696 6.8848 127.3768 56.1937 41.7112 174.0070 8 E 3.9038 7.5724 129.4628 54.8741 28.3279 175.9341 9 G 3.8116 8.3803 116.0366 48.2719 0.0000 172.7922 10 T 3.8144 7.8876 116.3747 64.1436 68.7064 173.5232 11 E 4.4764 8.5798 125.6034 55.1558 31.1412 175.4612 12 K 4.4933 8.3205 120.0734 54.6056 33.7539 175.8245 13 L 4.6485 8.4576 125.0586 52.9014 44.1574 174.9062 14 L 4.7208 8.5038 127.3832 53.0195 44.2725 174.8557 15 E 4.6084 8.6684 125.5754 54.2893 32.4344 174.5768 16 V 4.3592 8.1384 124.4666 60.7190 34.5819 174.0963 17 W 4.5227 8.6973 126.1848 54.9624 30.8087 175.5484 18 F 4.9136 8.6812 121.9683 56.4006 40.5605 174.5160 19 S 4.6631 8.2774 115.4349 57.8829 65.2979 173.5867 20 R 4.6258 8.2354 120.4105 54.1562 31.9372 175.0302 21 Q 4.0072 8.7594 126.4382 58.1910 29.4976 175.5072 22 Q 4.5206 8.5093 120.5176 56.0781 27.7641 172.2729 23 P 4.4956 0.0000 0.0000 62.0489 29.8618 175.2893 *27 Q 4.1149 7.8309 120.9796 54.9935 31.1587 176.0123 28 G 3.9463 7.9900 105.7270 44.2853 0.0000 173.0734 29 S 4.1018 8.5216 112.4031 59.2951 63.2257 175.4537 30 G 3.9026 8.8138 107.1356 45.5626 0.0000 172.3522 31 D 4.6632 8.0218 119.0424 52.2163 44.4257 176.3764 32 L 4.0724 8.6931 126.5422 57.7920 41.8733 179.1112 33 R 4.3488 8.4020 116.4672 58.2815 30.0899 177.9375 34 T 4.0292 7.6583 114.4156 65.9640 68.6667 175.3545 35 I 3.4612 7.3716 122.3848 60.7795 37.4699 174.3855 36 P 4.4701 0.0000 0.0000 61.9838 32.2049 177.3564 37 R 4.2076 8.7531 120.4830 59.8169 30.0332 178.8902 38 S 4.1335 8.1055 113.5490 61.7284 62.8355 176.3169 39 E 3.9051 7.9317 121.5345 58.7288 29.0825 179.3036 40 W 4.4950 7.7289 118.7157 59.7434 28.9437 178.1198 41 D 4.4260 8.2531 118.3196 57.3796 40.5904 178.7002 42 I 3.8648 7.6551 119.7487 64.3266 37.2122 178.1445 43 L 3.9999 7.9622 121.1500 58.3358 42.0635 179.0206 44 L 4.2220 8.3216 118.4450 57.1589 41.3474 179.4820 45 K 4.0272 7.8243 118.6533 59.5487 31.7499 178.7903 46 D 4.4441 7.6387 116.4609 56.5557 40.8360 178.2405 47 V 3.8053 7.4468 117.3346 63.0316 31.9592 175.3005 48 Q 3.7104 8.7075 116.2425 56.4794 25.7689 172.3985 49 C 4.8899 7.7526 109.8441 57.3103 32.8893 172.2975 50 S 4.7640 8.4697 113.6399 56.7339 66.6601 173.1129 51 I 4.5560 8.3880 121.9676 61.4138 36.9296 175.9869 52 I 4.5020 8.6595 119.5041 61.0497 39.5741 175.5571 53 S 4.7004 7.7607 116.2960 57.1315 65.8585 172.8929 54 V 4.6188 8.1497 124.4045 61.5082 34.6624 174.4730 55 T 4.6254 8.8668 123.6504 61.7610 72.3265 173.0560 56 K 4.9551 8.7066 124.8459 54.8099 35.5278 175.1388 57 T 4.7255 8.3543 111.9034 59.6640 72.1689 173.7494 58 D 4.4935 8.7782 120.6796 57.2046 40.8106 178.2675 59 K 4.3030 7.9267 116.6097 57.8188 33.1043 176.2910 60 Q 4.6046 7.7747 114.7579 54.9499 31.4810 172.5849 61 E 5.0785 8.6324 117.6741 54.4907 32.2959 175.2184 62 A 4.8544 9.0099 126.3801 50.2864 21.8417 174.7774 63 Y 5.0863 8.6377 118.3961 56.1251 41.5825 175.0733 64 V 4.3133 8.7655 123.5208 61.4984 33.3590 174.8406 65 L 5.2303 8.5164 127.1537 53.3646 44.3552 175.6003 66 S 4.6087 8.6383 115.1438 57.5547 66.1735 174.0082 67 E 4.2120 8.9201 123.8574 56.9692 28.9231 174.3427 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 4 A 8.26 4.38 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 5 H 7.91 4.69 0.00 3.19 3.20 0.00 5.77 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 6 F 8.44 4.79 0.00 2.94 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 F 6.88 4.07 0.00 2.77 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.57 3.90 0.00 1.93 1.56 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 2.25 2.29 0.00 9 G 8.38 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.89 3.81 4.39 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 1.22 0.00 0.00 11 E 8.58 4.48 0.00 1.94 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 2.28 2.52 0.00 12 K 8.32 4.49 0.00 1.72 1.72 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.38 7.81 13 L 8.46 4.65 0.00 1.54 1.52 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.50 4.72 0.00 1.58 1.49 0.92 0.91 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 15 E 8.67 4.61 0.00 1.92 1.81 0.00 0.00 0.00 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 2.16 0.00 16 V 8.14 4.36 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.87 0.00 0.00 17 W 8.70 4.52 0.00 3.22 3.17 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 0.00 0.00 0.00 0.00 18 F 8.68 4.91 0.00 3.04 2.99 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 0.00 0.00 0.00 19 S 8.28 4.66 0.00 4.01 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 20 R 8.24 4.63 0.00 1.79 1.85 0.00 3.26 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 21 Q 8.76 4.01 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 5.38 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 22 Q 8.51 4.52 0.00 2.10 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.42 0.00 0.00 0.00 0.00 0.00 2.19 2.33 0.00 23 P 0.00 4.50 0.00 2.22 2.09 0.00 3.83 0.00 0.00 3.60 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 *27 Q 7.83 4.11 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.94 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 28 G 7.99 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 29 S 8.52 4.10 0.00 3.98 3.99 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 0.00 0.00 0.00 30 G 8.81 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 31 D 8.02 4.66 0.00 2.67 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.69 4.07 0.00 1.80 1.84 1.02 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.40 4.35 0.00 1.96 2.06 0.00 3.31 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 34 T 7.66 4.03 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 1.18 0.00 0.00 35 I 7.37 3.46 1.70 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.29 -0.43 0.00 0.00 36 P 0.00 4.47 0.00 2.08 1.92 0.00 3.34 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 37 R 8.75 4.21 0.00 2.09 2.02 0.00 3.46 0.00 0.00 3.64 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.98 0.00 38 S 8.11 4.13 0.00 4.07 4.12 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.93 3.91 0.00 1.69 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.25 0.00 40 W 7.73 4.50 0.00 3.42 2.91 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 41 D 8.25 4.43 0.00 2.88 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.66 3.86 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.13 0.90 0.00 0.00 43 L 7.96 4.00 0.00 1.84 2.04 1.09 0.65 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 44 L 8.32 4.22 0.00 1.80 1.91 0.88 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.82 4.03 0.00 2.01 1.87 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.72 7.81 46 D 7.64 4.44 0.00 2.70 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.45 3.81 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.95 0.00 0.00 48 Q 8.71 3.71 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.44 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 49 C 7.75 4.89 0.00 3.22 2.88 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 50 S 8.47 4.76 0.00 3.92 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 8.39 4.56 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.54 1.14 0.00 0.00 52 I 8.66 4.50 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 1.23 0.67 0.92 0.00 0.00 53 S 7.76 4.70 0.00 3.87 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 54 V 8.15 4.62 1.93 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 0.30 0.00 0.00 0.93 0.00 0.00 55 T 8.87 4.63 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 56 K 8.71 4.96 0.00 1.54 1.62 0.00 1.65 0.00 0.00 1.91 0.00 0.00 2.73 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.16 1.25 7.81 57 T 8.35 4.73 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 1.18 0.00 0.00 58 D 8.78 4.49 0.00 2.69 2.78 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 0.00 0.00 0.00 59 K 7.93 4.30 0.00 1.75 1.87 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.42 7.81 60 Q 7.77 4.60 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 61 E 8.63 5.08 0.00 1.88 1.71 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 2.16 2.28 0.00 62 A 9.01 4.85 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.64 5.09 0.00 2.62 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.77 4.31 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 0.96 0.00 0.00 0.92 0.00 0.00 65 L 8.52 5.23 0.00 1.56 1.56 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.64 4.61 0.00 3.84 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 67 E 8.92 4.21 0.00 2.22 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 0.00 2.22 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.