NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.3510 8.2929 117.1002 56.8103 63.0559 169.8958 *8 W 4.4148 7.9311 125.5109 55.3938 27.7750 174.0757 9 H 4.8274 9.0296 123.2642 56.6884 31.7636 173.3320 10 R 3.7165 7.3370 114.7865 52.3850 30.9224 177.7507 11 P 4.4999 0.0000 0.0000 63.0246 32.1871 176.0795 12 D 4.9625 8.2285 118.0940 51.3237 42.1938 176.9030 13 K 4.4159 8.4349 119.4892 56.4683 32.7345 177.4549 14 C 4.9983 8.5120 120.2641 55.2529 43.9513 174.4415 15 C 4.6783 8.5094 119.3158 55.6337 39.9516 173.8684 16 L 3.8957 8.3603 125.7075 55.8085 41.8917 177.1850 17 G 4.1417 7.5404 104.9739 43.6327 0.0000 170.9628 18 Y 4.9863 8.0267 115.9752 55.5719 41.0675 175.7283 19 Q 4.2090 9.0639 125.5423 56.0780 29.2141 175.9468 20 K 4.2922 8.5835 126.4020 59.2590 33.5440 177.2997 21 R 3.7408 7.6949 116.9564 54.4227 29.7990 174.8289 22 P 2.0000 0.0000 0.0000 61.6316 31.7725 175.3276 23 L 4.4784 7.0946 120.1865 52.1600 43.5160 174.7471 24 P 4.3465 0.0000 0.0000 62.1216 32.0705 176.7301 25 Q 3.8902 8.9313 124.8798 59.2571 28.9410 178.7831 26 V 3.7444 7.7866 109.1353 63.2586 31.7328 176.3979 27 L 4.4921 8.1892 119.2189 54.5169 42.4103 176.0240 28 L 5.1304 7.7550 118.7607 53.3232 43.8623 175.6274 29 S 4.7443 9.1378 115.9027 59.9928 64.0625 173.5654 30 S 5.0716 7.7551 111.7313 58.7509 65.9641 173.1272 31 W 5.6005 8.1718 115.8665 56.8414 31.8069 172.8057 32 Y 4.7486 8.4110 117.3355 54.9501 40.8014 172.7929 33 P 4.9574 0.0000 0.0000 63.1418 32.6975 175.3583 34 T 4.6241 7.9593 111.0223 59.7477 71.1035 174.4130 35 S 4.2740 8.5393 116.0336 58.6633 62.8482 175.0610 36 Q 4.0971 8.4870 123.5337 58.4087 28.7512 177.3392 37 L 4.2281 7.7461 116.1751 55.8482 41.8341 176.6974 38 C 4.5252 7.5820 116.8532 56.3495 40.6081 173.3218 39 S 4.1259 8.5054 115.6682 61.0964 61.9867 174.4206 40 K 4.7627 7.4637 118.3441 53.3007 35.0517 174.4570 41 P 4.4352 0.0000 0.0000 63.1399 32.2768 175.6209 42 G 4.2029 7.7855 105.0739 46.1376 0.0000 172.3033 43 V 4.8256 8.2696 113.1343 59.2340 36.1851 174.7787 44 I 4.7395 8.0257 123.2629 59.5184 39.9797 174.6011 45 F 5.3251 9.2162 125.7563 55.9812 41.5187 174.6997 46 L 5.3130 9.0039 123.6075 53.3906 43.4554 176.5763 47 T 4.7004 8.8831 115.0189 60.8487 70.1245 176.2656 48 K 3.9896 8.8887 122.2525 59.1793 32.1427 178.6257 49 R 4.0185 7.9173 117.3439 57.2442 30.2973 176.8082 50 G 4.0857 8.3640 105.7216 45.3825 0.0000 173.5464 51 R 4.4630 8.1349 118.9033 55.5126 31.8812 175.3235 52 Q 5.0937 8.6152 120.9149 54.4790 30.8255 175.1999 53 V 4.5259 8.9339 123.7303 61.2281 34.8560 173.7708 54 C 5.1500 8.9672 125.1220 56.8300 42.9172 172.4501 55 A 5.0899 8.9161 123.8471 50.2008 23.1588 175.1337 56 D 3.9690 8.1773 120.3047 52.8820 40.6177 177.1359 57 K 3.9320 8.3008 125.8309 58.0877 32.5530 177.8307 58 S 4.2645 7.8136 114.6026 60.1124 64.0025 175.6431 59 K 4.0937 7.5788 121.5919 55.8550 33.5309 177.6317 60 D 4.3240 8.6470 123.6179 57.2466 40.7940 179.1964 61 W 4.2913 8.2420 116.5794 59.4019 27.8497 178.4046 62 V 3.1992 6.6211 111.9323 63.4253 31.2110 178.0939 63 K 3.9124 7.4860 117.4303 58.9516 32.0503 179.2922 64 K 4.1715 7.9232 119.0948 59.1178 31.9190 180.4899 65 L 4.2636 7.4242 118.4267 54.8394 41.2499 179.4308 *67 Q 4.3131 8.0035 118.4520 56.2709 30.5380 177.1516 68 Q 4.1568 8.1736 115.1242 58.2886 28.9428 176.7459 69 L 4.9075 8.0748 117.1390 52.9573 43.4351 175.0996 70 P 4.8439 0.0000 0.0000 62.0421 33.6195 175.0187 71 V 3.2828 7.9305 120.3213 62.1470 32.3462 175.8441 72 T 3.9354 8.4305 123.9008 63.5850 68.4088 174.2105 73 A 3.9657 8.9950 131.4399 56.0355 18.5914 178.4347 74 R 4.0382 7.6651 116.5930 56.4461 29.5419 177.9629 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 S 8.29 4.35 0.00 3.67 3.85 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.93 4.41 0.00 2.58 2.21 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 9 H 9.03 4.83 0.00 3.11 3.23 0.00 5.95 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 R 7.34 3.72 0.00 1.89 1.64 0.00 3.32 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.25 0.00 11 P 0.00 4.50 0.00 2.18 2.09 0.00 3.71 0.00 0.00 3.70 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 12 D 8.23 4.96 0.00 2.70 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 13 K 8.43 4.42 0.00 1.87 1.86 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.52 7.81 14 C 8.51 5.00 0.00 2.89 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 15 C 8.51 4.68 0.00 2.89 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 16 L 8.36 3.90 0.00 1.56 1.65 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.54 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 0.00 0.00 0.00 0.00 18 Y 8.03 4.99 0.00 3.00 2.80 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 19 Q 9.06 4.21 0.00 2.24 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.00 0.00 0.00 0.00 0.00 0.00 2.62 2.68 0.00 20 K 8.58 4.29 0.00 1.91 1.94 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.15 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.44 1.55 7.81 21 R 7.69 3.74 0.00 1.74 1.88 0.00 2.92 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 22 P 0.00 2.00 0.00 1.33 0.49 0.00 3.24 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.35 0.00 23 L 7.09 4.48 0.00 1.65 1.50 1.04 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.35 0.00 2.18 2.12 0.00 3.64 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.90 0.00 25 Q 8.93 3.89 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.15 6.96 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 26 V 7.79 3.74 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 0.76 0.00 0.00 0.92 0.00 0.00 27 L 8.19 4.49 0.00 1.88 1.70 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.75 5.13 0.00 1.67 1.72 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 29 S 9.14 4.74 0.00 3.88 4.05 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 0.00 0.00 0.00 30 S 7.76 5.07 0.00 4.13 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 31 W 8.17 5.60 0.00 3.12 3.12 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 32 Y 8.41 4.75 0.00 2.84 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 33 P 0.00 4.96 0.00 2.18 2.30 0.00 3.67 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 34 T 7.96 4.62 4.40 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 1.20 0.00 0.00 35 S 8.54 4.27 0.00 3.89 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 36 Q 8.49 4.10 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 37 L 7.75 4.23 0.00 1.66 1.72 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 38 C 7.58 4.53 0.00 3.02 3.01 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 39 S 8.51 4.13 0.00 3.80 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 40 K 7.46 4.76 0.00 1.69 1.78 0.00 1.87 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.35 1.35 7.81 41 P 0.00 4.44 0.00 2.18 2.07 0.00 3.92 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 42 G 7.79 4.20 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 0.00 43 V 8.27 4.83 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 0.64 0.00 0.00 0.36 0.00 0.00 44 I 8.03 4.74 0.56 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.72 0.76 0.00 0.00 45 F 9.22 5.33 0.00 3.11 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 9.00 5.31 0.00 1.90 1.71 1.04 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.88 4.70 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 48 K 8.89 3.99 0.00 1.79 1.95 0.00 1.72 0.00 0.00 1.66 0.00 0.00 3.10 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.48 7.81 49 R 7.92 4.02 0.00 1.78 1.98 0.00 3.26 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 50 G 8.36 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 51 R 8.13 4.46 0.00 1.90 1.90 0.00 3.19 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 52 Q 8.62 5.09 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.69 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 53 V 8.93 4.53 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 0.95 0.00 0.00 1.04 0.00 0.00 54 C 8.97 5.15 0.00 2.98 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 55 A 8.92 5.09 1.24 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 0.00 0.00 56 D 8.18 3.97 0.00 1.58 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 0.00 0.00 0.00 57 K 8.30 3.93 0.00 1.72 1.75 0.00 1.58 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.33 7.81 58 S 7.81 4.26 0.00 3.92 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 59 K 7.58 4.09 0.00 1.53 1.47 0.00 1.40 0.00 0.00 1.38 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.55 7.81 60 D 8.65 4.32 0.00 2.76 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.24 4.29 0.00 3.51 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 V 6.62 3.20 1.65 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 -0.97 0.00 0.00 0.69 0.00 0.00 63 K 7.49 3.91 0.00 1.79 1.76 0.00 1.62 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.56 7.81 64 K 7.92 4.17 0.00 2.13 1.86 0.00 1.54 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.52 7.81 65 L 7.42 4.26 0.00 1.72 1.55 0.65 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 *67 Q 8.00 4.31 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.78 7.10 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 68 Q 8.17 4.16 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.78 0.00 0.00 0.00 0.00 0.00 2.42 2.57 0.00 69 L 8.07 4.91 0.00 1.99 1.98 1.13 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 4.84 0.00 2.13 2.23 0.00 3.96 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.02 0.00 71 V 7.93 3.28 1.75 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 0.34 0.00 0.00 0.08 0.00 0.00 72 T 8.43 3.94 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 1.13 0.00 0.00 73 A 8.99 3.97 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 74 R 7.67 4.04 0.00 1.85 1.71 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 * Residues marked with a * may have inaccurate shift predictions.