NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.4365 8.3344 115.4132 57.8917 64.3515 173.2484 0 H 3.5439 8.7552 124.1714 55.5116 30.1562 170.7624 *144 E 3.8783 8.8046 126.9363 55.8869 31.2232 174.6423 145 A 4.5786 8.5265 128.8606 51.6067 18.8219 176.9640 146 T 4.8105 8.1960 111.8691 59.7332 73.5783 174.9404 147 V 3.5972 8.2650 119.9658 66.0219 31.4513 177.4991 148 E 3.9433 8.1642 118.6692 59.3009 29.5222 177.8552 149 Y 4.2324 7.9485 119.1525 60.8695 38.9345 177.6735 150 L 3.7073 8.1443 120.9696 58.2958 42.0293 178.9197 151 A 3.9620 8.0609 120.5141 54.9966 18.2304 179.1378 152 D 4.1771 8.2586 116.8104 57.3886 41.2660 178.0953 153 L 3.7843 7.8448 119.9427 58.0993 41.6750 179.8857 154 V 3.4975 7.7028 117.6844 65.7019 31.3763 178.0034 155 K 3.8101 7.9567 119.3884 59.5375 32.1003 178.6102 156 E 3.9111 8.3672 119.2528 59.2750 29.1176 179.3102 157 K 3.8937 8.0283 118.9426 59.3376 32.6737 178.3771 158 K 4.0238 8.0162 119.8720 59.9134 32.0281 178.4866 159 H 4.3098 8.2654 116.5009 58.8567 28.6560 177.7455 160 L 4.2397 8.1110 120.7078 57.4244 41.1804 179.2001 161 T 4.0603 7.4831 108.3676 63.7944 68.8007 175.9866 162 L 3.9589 7.7212 121.3053 55.8354 43.1586 176.9196 163 F 5.1195 7.7780 117.4925 54.9160 39.0316 172.8123 164 P 4.3904 0.0000 0.0000 64.3109 31.9970 176.6658 165 H 4.2511 8.9033 118.2316 56.9119 26.0760 175.2035 166 M 4.3298 7.9839 119.0843 55.7853 33.8523 176.3392 167 F 4.9125 7.7036 117.3288 55.6102 40.2540 176.0057 168 S 4.3137 8.0322 117.1893 60.9205 63.6094 175.8131 169 A 3.9869 8.0235 124.3071 55.2574 18.2252 179.4496 170 V 3.5991 7.9406 116.1837 66.3017 31.5750 177.8521 171 E 4.0002 8.2862 118.3336 59.3727 29.2635 179.3714 172 R 3.9316 7.9491 118.3173 59.3741 30.1544 178.5725 173 L 4.0084 7.9099 118.8136 57.6056 41.5447 179.3285 174 L 3.9391 8.0982 120.3585 58.2232 42.0893 178.6603 175 D 4.3443 8.1896 118.8585 57.3924 40.6867 178.5690 176 D 4.3229 8.2679 119.4420 57.4608 40.8921 178.5219 177 E 3.9895 8.3866 119.8291 59.0564 29.5096 178.8590 178 I 3.7160 7.9965 120.2819 64.2754 37.2193 178.5566 179 G 3.5910 7.9966 106.5083 47.9007 0.0000 175.7099 180 R 3.9637 8.1928 121.3338 59.0350 30.0740 178.8278 181 V 3.7281 7.9536 118.2264 65.8378 31.4701 178.2209 182 R 3.9776 8.2572 118.1323 59.3357 29.9201 179.2019 183 V 3.6381 8.0027 117.7551 65.9390 31.6297 177.9476 184 A 4.1141 8.1296 120.5782 55.2088 18.3128 179.6759 185 L 4.0235 8.2265 117.6021 57.7175 41.6114 179.4799 186 F 4.1606 8.6471 120.9322 61.5592 39.3034 177.3395 187 Q 4.1396 8.9214 118.2120 58.8689 28.2035 178.7806 188 T 3.9288 7.6678 110.2954 64.5239 69.0208 176.4925 189 E 3.8165 7.7392 120.3730 57.7201 30.9207 177.6536 190 F 4.7890 7.5712 118.6193 54.4437 38.7861 174.0249 191 P 4.5716 0.0000 0.0000 64.3722 31.6641 177.7069 192 R 4.3328 7.9486 114.4523 56.0905 30.6244 175.9251 193 V 4.2903 7.6697 119.1081 61.0389 32.6800 174.4555 194 E 4.7792 8.7397 127.1899 54.3089 32.1761 175.3436 195 L 4.3452 8.7472 124.1260 54.9374 42.1009 176.2504 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 -1 S 8.33 4.44 0.00 4.04 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 H 8.76 3.54 0.00 3.05 2.85 0.00 5.76 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *144 E 8.80 3.88 0.00 1.85 1.69 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 2.15 2.36 0.00 145 A 8.53 4.58 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.20 4.81 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 1.24 0.00 0.00 147 V 8.27 3.60 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 1.04 0.00 0.00 0.95 0.00 0.00 148 E 8.16 3.94 0.00 2.11 1.99 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 2.43 2.40 0.00 149 Y 7.95 4.23 0.00 3.06 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 0.00 150 L 8.14 3.71 0.00 1.78 1.85 0.86 0.89 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 0.00 151 A 8.06 3.96 1.41 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 0.00 0.00 0.00 152 D 8.26 4.18 0.00 2.81 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 0.00 153 L 7.84 3.78 0.00 1.66 1.53 0.38 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 154 V 7.70 3.50 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 0.95 0.00 0.00 0.90 0.00 0.00 155 K 7.96 3.81 0.00 1.82 1.87 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.29 7.81 156 E 8.37 3.91 0.00 2.11 1.95 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 2.33 2.58 0.00 157 K 8.03 3.89 0.00 1.69 1.94 0.00 1.78 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.43 7.81 158 K 8.02 4.02 0.00 1.82 1.86 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.45 7.81 159 H 8.27 4.31 0.00 3.36 3.33 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 L 8.11 4.24 0.00 1.93 1.79 0.97 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 161 T 7.48 4.06 4.22 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 1.26 0.00 0.00 162 L 7.72 3.96 0.00 0.76 1.08 0.74 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 163 F 7.78 5.12 0.00 3.33 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 P 0.00 4.39 0.00 2.05 1.94 0.00 3.85 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.22 0.00 165 H 8.90 4.25 0.00 3.35 3.41 0.00 5.67 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 M 7.98 4.33 0.00 1.65 2.39 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.46 0.00 167 F 7.70 4.91 0.00 3.06 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 0.00 168 S 8.03 4.31 0.00 4.09 4.17 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 0.00 169 A 8.02 3.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 V 7.94 3.60 2.36 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 1.05 0.00 0.00 1.00 0.00 0.00 171 E 8.29 4.00 0.00 2.29 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 2.37 2.39 0.00 172 R 7.95 3.93 0.00 1.93 2.11 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 1.64 1.68 0.00 173 L 7.91 4.01 0.00 1.92 1.72 0.95 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 174 L 8.10 3.94 0.00 1.81 1.72 0.89 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 175 D 8.19 4.34 0.00 2.80 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 D 8.27 4.32 0.00 2.88 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 0.00 177 E 8.39 3.99 0.00 2.11 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 2.31 2.37 0.00 178 I 8.00 3.72 1.97 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.53 0.87 0.00 0.00 179 G 8.00 3.59 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 0.00 0.00 0.00 180 R 8.19 3.96 0.00 1.92 2.12 0.00 3.14 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 181 V 7.95 3.73 2.24 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 1.06 0.00 0.00 1.16 0.00 0.00 182 R 8.26 3.98 0.00 2.05 1.99 0.00 3.17 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 183 V 8.00 3.64 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 1.06 0.00 0.00 0.93 0.00 0.00 184 A 8.13 4.11 1.47 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 0.00 0.00 185 L 8.23 4.02 0.00 1.96 1.79 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 186 F 8.65 4.16 0.00 3.24 3.29 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 0.00 187 Q 8.92 4.14 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.60 0.00 0.00 0.00 0.00 0.00 2.86 2.59 0.00 188 T 7.67 3.93 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 1.31 0.00 0.00 189 E 7.74 3.82 0.00 1.55 1.12 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 2.13 2.19 0.00 190 F 7.57 4.79 0.00 2.54 2.72 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 0.00 0.00 0.00 191 P 0.00 4.57 0.00 2.04 2.12 0.00 3.70 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 192 R 7.95 4.33 0.00 1.84 1.99 0.00 3.21 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 193 V 7.67 4.29 2.42 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 1.00 0.00 0.00 0.97 0.00 0.00 194 E 8.74 4.78 0.00 1.96 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 2.20 2.33 0.00 195 L 8.75 4.35 0.00 1.62 1.48 1.08 0.57 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 * Residues marked with a * may have inaccurate shift predictions.