NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 85 T 4.2335 8.2745 110.9391 61.1921 69.9551 173.8998 86 R 3.8613 8.7320 125.5347 55.5424 29.8499 171.5780 87 K 4.8183 9.0890 124.8133 51.5887 37.7799 174.6908 88 L 3.6207 8.0368 117.7907 57.2852 40.4989 179.8062 89 C 4.4694 9.3969 125.8689 60.2638 39.9081 175.1611 90 S 4.0071 8.1337 115.0304 59.3393 63.0021 174.0392 91 L 4.2012 7.9927 123.4043 54.0497 41.2281 175.6980 92 D 4.3144 9.3447 129.0560 55.4153 39.8471 173.4601 93 N 4.1494 8.3665 109.9038 53.4176 37.6313 174.5946 94 G 3.6476 8.7736 102.0042 45.4502 0.0000 174.7644 95 D 4.6408 8.2781 116.8480 54.1447 40.6711 173.6916 96 C 4.5870 7.8006 114.8605 57.2639 40.8769 173.7239 97 D 4.4725 8.4156 123.0535 56.9824 42.0423 177.1346 98 Q 4.5430 7.3422 112.8689 55.6087 30.7081 179.3042 99 F 4.6653 7.2622 128.5828 58.6218 39.9638 172.2941 100 C 5.4467 9.1088 125.6046 55.7178 44.2946 173.2075 *101 H 5.1426 9.2730 123.9944 53.4009 32.0893 169.0782 102 E 4.9817 8.7946 121.1877 54.3985 31.0260 175.4220 103 E 4.6313 9.4098 126.7208 56.2486 33.5665 176.2538 104 Q 3.3170 8.3885 121.2825 56.8612 26.8752 172.5678 105 N 5.1317 8.6642 108.4930 54.2478 39.1964 174.2823 106 S 4.7034 8.6541 112.0528 56.3397 66.6326 172.9992 107 V 4.2818 8.1875 121.5780 62.6130 32.4097 175.2833 108 V 4.4420 9.2894 127.4403 61.4196 34.1665 173.7449 109 C 5.3519 8.9029 125.2651 56.4446 36.4802 173.1052 110 S 4.5772 8.8632 115.0119 58.2029 66.1842 171.7899 111 C 4.7625 8.5798 114.7225 55.0658 38.5765 174.3735 112 A 4.3878 8.7670 125.0548 52.1046 18.6546 177.5788 113 R 4.1924 8.4342 118.7371 58.0348 30.6813 177.6970 114 G 3.9618 9.4007 110.0462 45.1160 0.0000 171.9619 115 Y 5.0550 7.6144 115.6078 56.1629 41.5476 174.8251 116 T 4.6600 9.1278 117.2119 59.8368 70.2771 173.1586 117 L 4.5059 8.5795 130.4664 55.2189 42.9451 176.5112 118 A 4.3579 9.2374 128.5340 51.2660 19.5616 177.9828 119 D 4.5411 8.8311 118.8413 57.5505 40.8487 177.9963 120 N 4.4521 8.1967 113.7090 52.8524 37.6045 175.4347 121 G 3.9986 8.5807 107.0930 46.4788 0.0000 173.9244 122 K 4.4840 8.6353 117.7275 57.6823 35.1759 176.8732 123 A 4.7421 8.2740 120.7748 51.9641 20.0633 176.4435 124 C 5.3039 8.9587 117.2248 55.2426 40.8070 173.6756 125 I 4.7347 8.9809 124.9399 58.6762 39.5933 173.5164 126 P 4.2568 0.0000 0.0000 62.8159 31.3962 176.6104 127 T 4.1358 8.4956 113.7894 63.0718 69.6938 174.3453 128 G 4.0115 7.1515 108.9009 44.4541 0.0000 170.6839 129 P 4.0881 0.0000 0.0000 63.4897 32.4255 175.9514 130 Y 3.5417 7.6123 117.4453 58.5745 35.3046 168.8130 131 P 4.3832 0.0000 0.0000 62.0714 32.7912 176.5060 132 C 4.3506 8.3834 114.7206 59.7556 29.9541 174.3749 133 G 3.9821 8.9589 109.3268 45.4482 0.0000 173.1803 134 K 4.5575 7.3223 118.2133 54.2346 33.5578 176.5647 135 Q 4.1690 8.6247 123.2235 56.1770 29.3215 176.1082 136 T 4.3762 8.3620 111.6762 61.2697 69.8506 174.5759 137 L 4.5471 8.3106 126.0191 55.5549 43.4046 176.9330 138 E 4.4791 7.9658 119.1440 56.5083 30.4129 180.7253 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 85 T 8.27 4.23 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 1.21 0.00 0.00 86 R 8.73 3.86 0.00 1.94 1.78 0.00 3.20 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.26 0.00 87 K 9.09 4.82 0.00 1.62 1.67 0.00 1.90 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 0.98 7.81 88 L 8.04 3.62 0.00 1.97 1.00 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 89 C 9.40 4.47 0.00 3.17 3.14 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 90 S 8.13 4.01 0.00 3.99 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 91 L 7.99 4.20 0.00 1.87 1.70 0.92 1.35 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 92 D 9.34 4.31 0.00 2.90 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.37 4.15 0.00 3.00 2.81 0.00 0.00 7.60 7.92 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 94 G 8.77 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 95 D 8.28 4.64 0.00 2.84 2.84 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 0.00 0.00 0.00 0.00 96 C 7.80 4.59 0.00 3.07 2.97 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 97 D 8.42 4.47 0.00 2.55 2.57 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 98 Q 7.34 4.54 0.00 1.54 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.92 0.00 0.00 0.00 0.00 0.00 1.88 1.99 0.00 99 F 7.26 4.67 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 0.00 100 C 9.11 5.45 0.00 3.13 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.27 5.14 0.00 2.58 2.84 0.00 7.24 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 E 8.79 4.98 0.00 1.83 1.91 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 2.24 2.32 0.00 103 E 9.41 4.63 0.00 1.93 1.80 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 2.21 2.21 0.00 104 Q 8.39 3.32 0.00 2.20 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.53 0.00 0.00 0.00 0.00 0.00 2.19 1.93 0.00 105 N 8.66 5.13 0.00 2.68 2.82 0.00 0.00 6.50 7.57 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 0.00 106 S 8.65 4.70 0.00 3.89 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 0.00 107 V 8.19 4.28 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 0.77 0.00 0.00 0.94 0.00 0.00 108 V 9.29 4.44 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 1.02 0.00 0.00 0.99 0.00 0.00 109 C 8.90 5.35 0.00 3.04 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 0.00 110 S 8.86 4.58 0.00 3.97 4.04 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 0.00 111 C 8.58 4.76 0.00 2.79 2.83 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 0.00 112 A 8.77 4.39 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 0.00 113 R 8.43 4.19 0.00 1.89 1.94 0.00 3.19 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 114 G 9.40 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Y 7.61 5.06 0.00 2.91 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 0.00 116 T 9.13 4.66 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 1.30 0.00 0.00 117 L 8.58 4.51 0.00 1.69 1.58 1.01 1.10 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 0.00 118 A 9.24 4.36 1.33 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 0.00 119 D 8.83 4.54 0.00 2.68 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 N 8.20 4.45 0.00 2.81 2.93 0.00 0.00 6.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.58 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 K 8.64 4.48 0.00 1.80 1.90 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.35 7.81 123 A 8.27 4.74 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 0.00 124 C 8.96 5.30 0.00 2.65 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 0.00 125 I 8.98 4.73 1.89 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 1.25 1.32 0.91 0.00 0.00 126 P 0.00 4.26 0.00 1.73 1.54 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.01 0.00 127 T 8.50 4.14 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 1.21 0.00 0.00 128 G 7.15 4.01 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 0.00 0.00 0.00 129 P 0.00 4.09 0.00 2.13 1.87 0.00 3.82 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 130 Y 7.61 3.54 0.00 3.15 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 0.00 131 P 0.00 4.38 0.00 1.83 1.74 0.00 3.58 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 2.03 1.79 0.00 132 C 8.38 4.35 0.00 3.19 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 G 8.96 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 0.00 0.00 0.00 134 K 7.32 4.56 0.00 1.86 1.78 0.00 1.78 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.60 7.81 135 Q 8.62 4.17 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 136 T 8.36 4.38 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 137 L 8.31 4.55 0.00 1.63 1.73 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 138 E 7.97 4.48 0.00 1.92 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.81 0.00 * Residues marked with a * may have inaccurate shift predictions.