NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *99 H 4.6587 8.2914 117.3725 53.2670 30.6041 174.7573 100 G 3.6441 7.4516 102.9354 48.5450 0.0000 173.0572 101 L 3.9872 8.0396 119.9124 57.3063 42.1262 177.2132 102 C 3.8891 8.2085 117.6728 62.9951 30.8791 175.5754 103 K 4.6358 9.2908 121.4945 58.7729 31.5843 178.9051 104 N 4.3495 7.9750 115.9279 55.9131 38.9429 177.3994 105 L 4.0197 8.4739 120.5561 58.0262 41.4373 179.6453 106 L 4.2268 7.5067 116.5271 57.2604 41.8022 179.2465 107 Q 4.2058 7.6013 118.1737 58.8555 28.8314 177.7938 108 E 3.9632 8.4597 120.0909 60.0710 29.3463 179.2135 109 Y 4.3309 8.6084 118.9354 60.2893 38.7066 177.5797 110 A 4.1991 8.1580 121.9628 54.6006 18.5330 179.4179 111 Q 3.9904 7.9130 116.1087 58.4866 29.1799 177.9371 112 K 4.1134 8.2742 117.2315 58.2772 32.1409 177.1777 113 M 4.3243 7.3450 116.3419 54.1236 33.9284 175.6903 114 N 4.3566 7.8146 115.6274 53.1355 38.8869 173.7196 115 Y 4.5988 7.4514 114.3347 58.0290 39.7944 174.7818 116 A 4.7301 8.4131 121.4930 52.3381 19.6597 174.4461 117 I 3.5916 8.0653 124.4955 61.6616 37.1305 172.0715 118 P 4.6536 0.0000 0.0000 62.5335 32.0616 175.5304 119 L 4.7339 8.5213 124.7039 53.4396 43.9395 174.9806 120 Y 4.9678 8.7281 121.2106 56.5944 40.2445 174.4770 121 Q 5.0088 9.3258 124.2381 54.4633 33.2568 173.2878 122 C 5.3581 8.5388 121.0847 57.9406 35.1641 172.5399 123 Q 4.8201 9.3866 122.9056 54.3290 33.5388 173.5659 124 K 4.9751 8.4983 119.9341 54.9179 35.9025 175.4208 125 V 4.3353 8.5579 125.0431 61.0923 34.6628 173.6044 126 E 4.7907 8.6779 128.8080 54.3957 30.5881 175.7365 127 T 4.0706 8.4580 124.4279 63.2653 69.2107 175.6539 128 L 4.2578 8.6374 124.0542 57.4028 41.8443 178.0224 129 G 3.9934 7.4378 106.9525 41.6253 0.0000 170.6408 130 R 4.4421 8.6016 125.5221 56.8330 27.6113 176.4294 131 V 4.0397 7.6463 117.1824 62.4587 33.1058 174.6208 132 T 4.7912 8.2960 123.1999 61.7210 71.7204 172.9375 133 Q 4.3875 8.4627 127.4170 54.1871 32.2049 173.7319 134 F 5.7391 8.6512 125.4827 56.0442 40.9853 174.8339 135 T 4.7345 8.6269 120.0439 62.1175 70.9370 173.3383 136 C 5.4030 8.7259 122.6827 58.4064 32.1331 172.8750 137 T 5.2096 9.0988 117.0602 61.9006 72.8583 173.2240 138 V 4.4610 8.6442 124.0808 61.0680 34.7433 173.6191 139 E 4.9873 8.9140 129.6050 54.5975 31.2173 174.6343 140 I 4.5985 8.6663 127.2236 61.3111 40.8768 175.1704 141 G 3.0539 8.9420 122.2449 43.8876 0.0000 175.0231 142 G 5.0750 6.4379 121.1317 45.5018 0.0000 171.4890 143 I 4.1768 6.7309 121.0669 58.8441 39.2919 174.5677 144 K 4.6251 8.2817 125.1719 55.6940 33.2284 175.6832 145 Y 4.6401 9.2171 123.6460 56.7334 40.0594 174.6883 146 T 4.8978 8.5057 120.5529 61.5363 70.6899 174.6627 147 G 3.9653 8.7615 113.7509 45.4619 0.0000 173.3736 148 A 4.2334 8.4496 123.6806 51.9256 19.0144 177.2521 149 A 4.5820 8.3277 122.1410 51.8518 19.6552 177.0533 150 T 4.5706 8.4794 110.0061 60.6802 73.1724 173.1590 151 R 5.0387 9.7443 123.3047 53.9028 29.4777 173.0345 152 T 4.5237 8.4113 123.6484 60.3026 69.6679 173.0664 153 K 3.7665 7.9199 130.0408 59.6199 32.1783 178.5509 154 K 3.9026 8.3968 118.2104 60.6634 31.8682 179.1806 155 D 4.0058 7.6653 114.2746 57.0899 41.2673 179.0094 156 A 4.0359 8.3987 122.1587 55.4025 18.8720 179.4538 157 E 3.9515 8.8599 117.7198 59.6722 29.3643 179.7866 158 I 3.7815 7.9075 119.6466 64.2492 37.3307 177.9210 159 S 4.2168 8.2915 114.1698 61.5743 62.0757 175.9930 160 A 4.1927 8.2924 123.3124 55.3187 18.0537 179.8209 161 G 3.5345 7.9522 103.4161 48.1967 0.0000 176.0025 162 R 3.9279 8.9229 121.9810 59.1049 30.0210 179.4629 163 T 3.8541 8.1283 115.6656 66.4367 68.5277 176.4798 164 A 2.8139 7.5938 122.6342 55.0479 18.2852 179.7885 165 L 3.7356 8.0328 117.6187 57.5715 41.4340 179.5439 166 L 4.0965 7.3197 117.5577 56.8800 41.7816 179.0691 167 A 4.0788 7.7220 120.8968 55.2396 18.1861 179.1890 168 I 3.4154 6.9071 116.3029 64.8500 37.1967 177.9226 169 Q 4.0712 7.8977 117.9968 59.1000 28.7515 178.3375 170 S 4.4743 7.5928 117.8214 58.6395 63.5430 173.6890 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 *99 H 8.29 4.66 0.00 2.85 2.98 0.00 7.20 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 G 7.45 3.64 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 0.00 0.00 0.00 101 L 8.04 3.99 0.00 1.70 1.75 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 102 C 8.21 3.89 0.00 2.99 3.05 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 0.00 103 K 9.29 4.64 0.00 2.09 1.88 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.48 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.11 1.35 7.81 104 N 7.97 4.35 0.00 2.79 2.87 0.00 0.00 6.94 6.56 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 0.00 105 L 8.47 4.02 0.00 1.71 1.75 0.91 0.72 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 0.00 106 L 7.51 4.23 0.00 1.89 1.77 0.96 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 0.00 107 Q 7.60 4.21 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.46 2.75 0.00 108 E 8.46 3.96 0.00 2.28 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 0.00 2.37 2.38 0.00 109 Y 8.61 4.33 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 0.00 110 A 8.16 4.20 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.91 3.99 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.89 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 112 K 8.27 4.11 0.00 1.72 1.73 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.48 7.81 113 M 7.35 4.32 0.00 1.68 1.93 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.61 0.00 114 N 7.81 4.36 0.00 2.48 2.83 0.00 0.00 7.18 7.87 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 0.00 115 Y 7.45 4.60 0.00 3.02 2.90 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 0.00 116 A 8.41 4.73 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 I 8.07 3.59 1.92 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 1.48 0.50 0.98 0.00 0.00 118 P 0.00 4.65 0.00 1.83 1.83 0.00 3.76 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 119 L 8.52 4.73 0.00 1.58 1.59 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 8.73 4.97 0.00 2.96 2.90 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 0.00 121 Q 9.33 5.01 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 122 C 8.54 5.36 0.00 2.99 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 0.00 123 Q 9.39 4.82 0.00 2.15 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.53 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 124 K 8.50 4.98 0.00 1.77 1.63 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.68 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.24 1.30 7.81 125 V 8.56 4.34 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 0.85 0.00 0.00 0.91 0.00 0.00 126 E 8.68 4.79 0.00 1.92 1.77 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 2.20 2.21 0.00 127 T 8.46 4.07 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 0.00 128 L 8.64 4.26 0.00 1.62 1.74 0.91 0.80 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 0.00 129 G 7.44 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 0.00 0.00 0.00 130 R 8.60 4.44 0.00 1.85 2.37 0.00 3.20 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 131 V 7.65 4.04 2.04 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 0.92 0.00 0.00 0.90 0.00 0.00 132 T 8.30 4.79 4.03 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 0.64 0.00 0.00 133 Q 8.46 4.39 0.00 1.99 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.85 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 134 F 8.65 5.74 0.00 3.11 2.94 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 0.00 0.00 0.00 0.00 135 T 8.63 4.73 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 1.31 0.00 0.00 136 C 8.73 5.40 0.00 3.07 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 0.00 137 T 9.10 5.21 4.26 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 1.20 0.00 0.00 138 V 8.64 4.46 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 0.68 0.00 0.00 0.53 0.00 0.00 139 E 8.91 4.99 0.00 2.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 140 I 8.67 4.60 2.03 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.02 0.98 0.00 0.00 141 G 8.94 3.05 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 0.00 0.00 0.00 142 G 6.44 5.07 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 0.00 0.00 0.00 143 I 6.73 4.18 1.41 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 1.13 1.10 0.15 0.00 0.00 144 K 8.28 4.63 0.00 1.51 1.66 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.36 7.81 145 Y 9.22 4.64 0.00 2.88 2.82 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 0.00 146 T 8.51 4.90 4.26 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 1.23 0.00 0.00 147 G 8.76 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 0.00 0.00 0.00 148 A 8.45 4.23 1.27 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 0.00 0.00 0.00 149 A 8.33 4.58 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 0.00 150 T 8.48 4.57 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 1.25 0.00 0.00 151 R 9.74 5.04 0.00 1.86 1.91 0.00 3.31 0.00 0.00 3.16 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 152 T 8.41 4.52 4.31 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 0.00 0.00 0.00 1.27 0.00 0.00 153 K 7.92 3.77 0.00 1.28 1.54 0.00 1.50 0.00 0.00 1.71 0.00 0.00 3.23 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.17 7.81 154 K 8.40 3.90 0.00 1.80 1.78 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.49 7.81 155 D 7.67 4.01 0.00 2.91 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 A 8.40 4.04 1.39 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 0.00 0.00 0.00 157 E 8.86 3.95 0.00 2.25 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 2.42 0.00 158 I 7.91 3.78 2.03 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.02 0.91 0.00 0.00 159 S 8.29 4.22 0.00 3.88 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 0.00 160 A 8.29 4.19 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 G 7.95 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 R 8.92 3.93 0.00 1.98 1.99 0.00 3.12 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 163 T 8.13 3.85 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 164 A 7.59 2.81 0.96 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 0.00 165 L 8.03 3.74 0.00 1.56 1.59 0.87 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 166 L 7.32 4.10 0.00 1.61 1.68 0.89 0.68 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 0.00 167 A 7.72 4.08 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 I 6.91 3.42 1.54 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.15 -0.15 0.00 0.00 169 Q 7.90 4.07 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.92 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 170 S 7.59 4.47 0.00 3.97 3.83 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 * Residues marked with a * may have inaccurate shift predictions.