NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 34 S 4.3981 8.3349 116.7898 58.2582 64.9629 173.4471 35 S 4.1766 7.6506 116.7395 57.8495 63.2329 174.7291 36 G 3.6496 7.7855 112.6103 47.9716 0.0000 176.0376 37 R 4.1140 7.6928 114.8723 57.8416 30.0801 177.0334 38 F 5.1245 8.3600 117.3169 56.9335 40.4066 177.0151 39 G 3.6943 7.3223 109.9241 47.1855 0.0000 174.3893 40 A 4.6423 8.4562 122.5927 52.0163 19.4679 176.7240 41 R 4.3160 7.2633 117.5447 57.0380 32.8987 175.4269 42 Y 4.1646 8.4137 119.0403 57.0631 36.5462 170.8020 43 G 4.0167 8.0677 103.3011 44.3411 0.0000 173.5401 44 R 3.6583 8.7973 113.9777 59.6987 29.7040 179.6979 45 V 3.3775 8.1183 120.7956 66.7515 33.4317 177.6345 46 S 4.0895 8.4173 115.6359 61.6929 62.8158 176.7568 47 R 4.5530 7.8796 114.4149 57.2367 30.2937 178.3385 48 R 4.0136 8.5156 120.2081 59.4641 30.1013 178.3454 49 R 3.9434 8.4931 118.3723 59.1464 30.0688 179.0422 50 V 3.5195 7.7230 117.8618 66.0823 31.4673 177.6347 51 A 3.9768 7.7612 120.5279 55.1924 18.2403 179.2298 52 E 3.8769 8.3402 116.0197 59.6422 29.8150 179.6339 53 I 3.6573 8.3212 119.9214 64.7946 37.2464 178.3179 54 E 4.1836 8.3242 118.5596 58.6910 29.0016 179.3182 55 S 4.0961 8.4044 114.2794 61.3544 62.3116 175.6720 56 E 3.9909 8.6998 120.8658 58.9500 29.4222 178.0178 57 M 4.6885 7.6471 118.9047 58.0779 32.4904 177.3385 58 N 4.7047 8.1949 114.5241 53.7625 39.1397 175.0745 59 E 4.0506 7.0802 119.6502 56.5671 30.1487 175.8171 60 D 4.6598 8.3233 119.7789 54.1340 41.9197 175.8919 61 H 4.9680 8.6034 120.4381 53.5641 31.5373 173.6190 62 A 4.2178 8.6731 124.9476 51.9527 19.1887 176.6592 63 C 3.9712 9.1748 123.6877 60.2561 31.9921 173.3429 64 P 4.1392 0.0000 0.0000 65.6240 31.1764 177.3730 65 N 4.1570 7.9799 115.8959 55.9077 39.9405 174.8609 66 C 4.7934 7.2003 115.1165 58.0998 29.1372 175.1338 67 G 4.0857 8.5175 103.5453 44.5248 0.0000 172.1351 68 E 3.9163 8.0695 120.0320 56.1908 30.4213 177.3186 69 D 4.7351 8.2086 124.6619 54.0047 38.9501 176.6127 70 R 4.7169 7.6321 113.0334 55.9441 32.6088 176.9999 71 V 4.7475 7.9024 119.6416 62.5230 32.4525 174.9510 72 D 5.3418 9.2582 126.4197 52.4766 45.4942 174.7590 73 R 3.8927 8.6350 120.1211 55.6743 30.7845 176.1362 74 Q 4.3483 9.0050 122.4248 54.7017 30.2170 175.5806 75 G 3.7075 7.0557 104.9430 45.2222 0.0000 171.8060 76 T 3.4282 8.2196 116.0478 64.8667 68.6828 174.7901 77 G 4.7288 8.4206 114.0844 47.1828 0.0000 173.6597 *78 I 4.1822 7.6603 116.5420 59.2038 37.5230 175.0827 79 W 5.2981 7.9924 121.0839 55.1073 33.3795 173.7752 80 Q 5.6500 8.9394 121.8030 55.3395 32.7451 172.7089 81 C 5.2917 8.9305 126.4966 58.1561 32.5343 174.3528 82 S 4.2503 8.9688 121.8473 60.5379 62.6139 174.7248 83 Y 4.4192 7.8372 122.5686 59.4557 39.4144 175.1735 84 C 4.1723 7.9939 111.5803 57.2965 30.2535 174.0583 85 D 4.4060 8.5181 118.1602 55.2742 38.8909 172.8146 86 Y 4.4237 7.7247 120.9214 57.8331 39.6435 174.4694 87 K 4.9852 8.5459 129.2942 54.9973 33.5621 175.2195 88 F 4.9991 9.1283 122.6705 55.4095 42.0452 173.3511 89 T 4.6053 8.6785 109.3123 61.2500 69.9905 175.0187 90 G 4.0927 7.7537 110.6120 46.2812 0.0000 171.8920 91 G 4.1452 8.5761 111.6814 44.9449 0.0000 174.4790 92 S 4.0218 8.4416 114.4175 60.4721 62.6267 175.2184 93 Y 4.8638 7.9058 115.8697 57.7489 40.5940 175.4081 94 K 4.6053 8.0142 118.0554 53.7930 34.5189 174.9868 95 P 3.2340 0.0000 0.0000 63.3973 31.6379 175.7627 96 E 4.6844 7.5225 118.7518 54.2747 33.4140 174.9976 97 T 4.6601 8.2535 113.8539 59.3197 72.3851 173.5049 98 P 4.3186 0.0000 0.0000 66.0727 31.7491 178.8654 99 G 3.8497 8.1352 103.8941 47.7683 0.0000 175.8251 100 G 3.6879 8.1690 108.3713 47.4441 0.0000 175.6604 101 K 3.9111 8.0953 119.0163 58.3360 32.3090 179.3108 102 T 4.0691 7.7170 116.7989 66.4759 68.3818 176.6819 103 V 3.5687 6.9733 118.8429 66.2544 31.7588 177.0929 104 R 4.1906 8.2882 117.0579 59.4175 31.5796 178.1648 105 R 4.0456 8.4273 111.8447 57.5069 28.9683 176.9722 106 S 4.2911 9.4064 120.7276 59.3948 62.6537 174.9799 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 34 S 8.33 4.40 0.00 3.83 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 35 S 7.65 4.18 0.00 4.04 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 36 G 7.79 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 0.00 0.00 0.00 37 R 7.69 4.11 0.00 1.88 1.97 0.00 2.85 0.00 0.00 3.02 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.14 0.00 38 F 8.36 5.12 0.00 3.44 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 39 G 7.32 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.46 4.64 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 41 R 7.26 4.32 0.00 0.67 0.90 0.00 2.94 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.35 0.00 42 Y 8.41 4.16 0.00 3.01 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 43 G 8.07 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 44 R 8.80 3.66 0.00 1.90 1.82 0.00 3.18 0.00 0.00 3.27 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.67 0.00 45 V 8.12 3.38 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 0.95 0.00 0.00 0.94 0.00 0.00 46 S 8.42 4.09 0.00 3.92 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 47 R 7.88 4.55 0.00 2.41 2.51 0.00 2.95 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.68 0.00 48 R 8.52 4.01 0.00 1.97 2.12 0.00 3.11 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 49 R 8.49 3.94 0.00 1.84 1.93 0.00 3.17 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 50 V 7.72 3.52 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 1.17 0.00 0.00 1.16 0.00 0.00 51 A 7.76 3.98 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.34 3.88 0.00 2.04 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 2.34 2.37 0.00 53 I 8.32 3.66 1.78 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.00 0.46 0.00 0.00 54 E 8.32 4.18 0.00 2.10 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 2.34 2.43 0.00 55 S 8.40 4.10 0.00 4.04 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 56 E 8.70 3.99 0.00 2.00 2.03 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 2.40 2.51 0.00 57 M 7.65 4.69 0.00 2.31 2.45 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.99 2.60 0.00 58 N 8.19 4.70 0.00 2.80 2.89 0.00 0.00 7.06 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 59 E 7.08 4.05 0.00 1.91 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 2.37 2.52 0.00 60 D 8.32 4.66 0.00 2.53 2.81 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 61 H 8.60 4.97 0.00 3.07 3.11 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.67 4.22 1.26 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 0.00 0.00 63 C 9.17 3.97 0.00 3.14 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 64 P 0.00 4.14 0.00 1.79 1.86 0.00 3.42 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.75 0.00 65 N 7.98 4.16 0.00 1.91 2.70 0.00 0.00 6.86 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 66 C 7.20 4.79 0.00 3.25 2.85 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 67 G 8.52 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 68 E 8.07 3.92 0.00 1.90 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 1.86 2.20 0.00 69 D 8.21 4.74 0.00 2.55 2.64 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 0.00 0.00 0.00 70 R 7.63 4.72 0.00 1.85 2.00 0.00 3.25 0.00 0.00 3.46 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 71 V 7.90 4.75 2.39 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 1.03 0.00 0.00 1.23 0.00 0.00 72 D 9.26 5.34 0.00 2.68 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 73 R 8.64 3.89 0.00 1.29 1.54 0.00 2.95 0.00 0.00 2.94 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.50 0.00 74 Q 9.00 4.35 0.00 1.78 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.16 2.31 0.00 75 G 7.06 3.71 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 0.00 0.00 0.00 76 T 8.22 3.43 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 1.05 0.00 0.00 77 G 8.42 4.73 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 0.00 0.00 0.00 *78 I 7.66 4.18 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 1.41 0.57 0.91 0.00 0.00 79 W 7.99 5.30 0.00 1.78 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 80 Q 8.94 5.65 0.00 2.07 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 81 C 8.93 5.29 0.00 3.31 3.02 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 82 S 8.97 4.25 0.00 4.11 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 7.84 4.42 0.00 2.93 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 C 7.99 4.17 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 85 D 8.52 4.41 0.00 2.87 2.85 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 86 Y 7.72 4.42 0.00 3.16 3.02 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 87 K 8.55 4.99 0.00 1.77 1.62 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.24 1.35 7.81 88 F 9.13 5.00 0.00 2.98 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 T 8.68 4.61 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 1.22 0.00 0.00 90 G 7.75 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 91 G 8.58 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 S 8.44 4.02 0.00 3.31 2.65 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 93 Y 7.91 4.86 0.00 3.19 3.04 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 0.00 0.00 0.00 94 K 8.01 4.61 0.00 1.94 1.60 0.00 1.78 0.00 0.00 1.96 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.67 1.52 7.81 95 P 0.00 3.23 0.00 1.75 0.49 0.00 3.06 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.19 0.00 96 E 7.52 4.68 0.00 1.83 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 2.18 2.22 0.00 97 T 8.25 4.66 4.27 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 1.25 0.00 0.00 98 P 0.00 4.32 0.00 2.05 2.19 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.19 0.00 99 G 8.14 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 0.00 0.00 0.00 100 G 8.17 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.10 3.91 0.00 1.74 1.88 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.34 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.57 1.65 7.81 102 T 7.72 4.07 4.49 0.00 0.00 0.00 0.00 0.00 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 0.00 103 V 6.97 3.57 2.20 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 0.76 0.00 0.00 0.94 0.00 0.00 104 R 8.29 4.19 0.00 1.98 2.01 0.00 3.27 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 105 R 8.43 4.05 0.00 1.90 1.57 0.00 3.20 0.00 0.00 3.27 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 106 S 9.41 4.29 0.00 3.97 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 * Residues marked with a * may have inaccurate shift predictions.