NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 167 P 4.3132 0.0000 0.0000 61.6235 33.2226 176.2737 168 K 4.0121 7.2348 116.0914 55.6324 34.9663 174.3839 169 H 4.2835 9.8197 122.9965 57.1405 30.0107 175.0973 170 L 4.6868 7.0520 120.3739 52.5173 43.4777 176.0768 171 D 4.6271 8.8604 122.9268 53.5861 41.7048 176.4626 172 D 4.4217 8.8230 122.3452 57.4712 41.0679 178.5578 173 D 4.9593 8.0347 115.9002 53.8565 40.0219 176.9826 174 E 4.5678 8.3026 118.7037 56.2688 30.3172 175.5570 175 D 4.5348 7.8491 119.5445 52.4721 40.4914 176.3759 176 R 2.5100 8.1615 127.4467 58.8892 29.8977 177.8038 177 K 4.0546 7.8061 114.2092 58.0125 32.7057 176.6109 178 N 4.6298 8.4275 119.4751 52.0756 39.5512 173.9469 179 P 4.2371 0.0000 0.0000 65.6349 31.6596 176.7938 180 A 4.4925 8.5198 119.7910 52.1652 18.4849 175.8027 181 Y 4.4489 7.9997 120.3983 59.1890 39.3937 175.8172 182 I 4.1256 7.6976 127.6877 58.5874 38.7851 173.8020 183 P 4.0936 0.0000 0.0000 62.8822 31.3370 176.8320 184 R 4.0554 8.6746 121.8845 55.2647 31.6298 175.3998 185 K 4.2438 9.3712 118.1367 53.5512 33.5282 175.3394 186 G 4.4277 8.1614 109.2098 43.0427 0.0000 173.8953 187 L 4.2231 8.1092 120.4290 56.2637 41.9041 178.7692 188 F 4.3066 8.0031 113.6738 59.1387 38.2691 175.1931 189 F 3.9980 6.5387 122.2429 58.1209 38.2213 173.9764 190 E 4.4970 7.9230 126.3513 56.2292 29.8648 176.3292 191 H 4.2655 6.9027 115.9355 55.3709 29.4216 174.8577 192 D 4.5227 8.4177 121.7395 53.1114 40.4229 176.1728 193 L 4.5215 8.2607 127.9679 53.2265 41.7486 178.3180 194 R 4.1251 8.2693 125.1253 55.9672 27.3422 176.3778 *216 G 3.7772 7.7029 106.6231 44.5653 0.0000 169.3913 217 R 4.0436 8.2958 123.5890 56.0471 30.8302 177.1584 218 W 4.4095 8.9069 122.6205 56.9039 29.7365 175.2949 219 E 4.7907 8.4564 120.4948 55.1042 32.9932 175.9030 220 H 4.7523 8.3845 118.3733 55.1963 27.8804 176.1027 221 D 4.8296 7.8197 116.1420 53.8148 40.3224 177.4818 222 K 4.3402 7.7889 118.2630 56.6812 33.4024 176.1743 223 F 4.1693 7.9068 120.9346 58.0764 39.7065 174.3890 224 R 4.2999 7.9067 127.4208 54.1138 30.8283 175.9181 225 E 3.4994 8.7560 124.7973 59.3690 29.6056 179.0721 226 D 4.5814 7.8703 116.2100 57.1725 40.9951 177.2611 227 E 4.1325 7.9066 115.9680 57.6005 29.8019 176.9273 228 Q 4.2862 7.3129 116.2468 55.3599 29.1810 175.5365 229 A 4.2951 7.0570 122.2185 50.7406 19.1456 175.7307 230 P 4.5105 0.0000 0.0000 61.8929 32.0229 177.0663 231 K 4.0623 8.3774 119.6162 56.5154 32.7465 178.1017 232 S 4.3199 8.4040 117.1906 58.0622 65.0122 175.1601 233 R 3.8904 8.6428 123.3745 60.0449 29.7008 178.6931 234 Q 3.9442 8.0291 116.8778 59.0381 28.9250 177.9070 235 E 3.8886 8.1998 120.1260 59.6324 29.1440 179.2207 236 L 4.0439 7.9945 118.4520 57.8960 41.6855 179.3773 237 I 3.9274 8.1108 119.9081 64.5021 36.8526 178.2426 238 A 3.8412 8.2041 120.5322 54.9833 18.2129 179.1995 239 L 3.7980 7.4250 117.4873 57.8767 42.3821 177.8737 240 Y 4.5898 8.6911 114.0392 56.9563 38.7864 176.8983 241 G 4.0292 9.4433 108.5270 45.0784 0.0000 172.7329 242 Y 4.5444 7.0420 113.8883 55.9456 39.6214 173.6721 243 D 4.4038 8.8874 121.2021 54.2064 40.0098 175.3251 244 I 3.5760 8.0224 127.3667 63.9342 37.9956 178.8713 245 R 4.1970 7.7629 117.4547 55.7321 29.3433 175.7778 246 S 4.5105 8.8134 113.9733 57.6590 67.3467 174.6194 247 A 4.1317 8.3231 124.1286 52.2935 18.6024 176.9760 248 H 3.4937 8.3806 121.0265 56.0561 30.6328 175.2026 249 N 4.2135 7.4961 122.4546 53.7045 39.3967 174.2330 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 167 P 0.00 4.31 0.00 2.04 2.15 0.00 3.65 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.09 0.00 168 K 7.23 4.01 0.00 1.82 1.66 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.51 7.81 169 H 9.82 4.28 0.00 3.16 3.36 0.00 5.66 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 L 7.05 4.69 0.00 1.77 1.60 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 171 D 8.86 4.63 0.00 2.79 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 0.00 172 D 8.82 4.42 0.00 2.77 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 0.00 173 D 8.03 4.96 0.00 2.82 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 0.00 174 E 8.30 4.57 0.00 2.11 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 2.29 2.26 0.00 175 D 7.85 4.53 0.00 2.81 2.75 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 0.00 0.00 0.00 0.00 176 R 8.16 2.51 0.00 1.27 1.68 0.00 3.16 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.35 0.00 177 K 7.81 4.05 0.00 1.87 1.81 0.00 1.78 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.32 7.81 178 N 8.43 4.63 0.00 2.98 2.99 0.00 0.00 7.02 7.63 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 0.00 179 P 0.00 4.24 0.00 2.10 2.14 0.00 3.74 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 2.05 2.11 0.00 180 A 8.52 4.49 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 181 Y 8.00 4.45 0.00 3.29 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 0.00 182 I 7.70 4.13 1.75 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.58 0.90 0.00 0.00 183 P 0.00 4.09 0.00 2.13 2.20 0.00 3.50 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.12 0.00 184 R 8.67 4.06 0.00 1.37 0.87 0.00 3.12 0.00 0.00 3.02 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.44 0.00 185 K 9.37 4.24 0.00 1.76 1.70 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.26 1.33 7.81 186 G 8.16 4.43 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 0.00 187 L 8.11 4.22 0.00 1.73 1.78 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 188 F 8.00 4.31 0.00 3.18 3.20 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 0.00 189 F 6.54 4.00 0.00 2.38 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 0.00 190 E 7.92 4.50 0.00 1.78 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 2.17 2.41 0.00 191 H 6.90 4.27 0.00 2.72 3.07 0.00 5.69 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 D 8.42 4.52 0.00 2.61 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 0.00 193 L 8.26 4.52 0.00 1.74 1.66 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 194 R 8.27 4.13 0.00 1.81 1.91 0.00 3.24 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 *216 G 7.70 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 R 8.30 4.04 0.00 1.86 1.96 0.00 3.37 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 218 W 8.91 4.41 0.00 3.18 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 0.00 219 E 8.46 4.79 0.00 1.92 1.84 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 2.40 2.26 0.00 220 H 8.38 4.75 0.00 3.25 3.25 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 D 7.82 4.83 0.00 2.80 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 0.00 222 K 7.79 4.34 0.00 1.80 1.91 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.33 7.81 223 F 7.91 4.17 0.00 3.01 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 R 7.91 4.30 0.00 1.70 1.69 0.00 3.28 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 225 E 8.76 3.50 0.00 2.10 1.94 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 2.42 2.42 0.00 226 D 7.87 4.58 0.00 2.64 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 E 7.91 4.13 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 2.25 2.26 0.00 228 Q 7.31 4.29 0.00 1.62 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.95 0.00 0.00 0.00 0.00 0.00 2.06 1.84 0.00 229 A 7.06 4.30 1.29 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 0.00 0.00 230 P 0.00 4.51 0.00 2.06 2.01 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 231 K 8.38 4.06 0.00 1.76 1.77 0.00 1.79 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.58 1.45 7.81 232 S 8.40 4.32 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 0.00 233 R 8.64 3.89 0.00 1.90 2.00 0.00 3.20 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.96 0.00 234 Q 8.03 3.94 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 235 E 8.20 3.89 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 236 L 7.99 4.04 0.00 1.92 1.75 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 237 I 8.11 3.93 2.06 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 1.44 1.06 0.94 0.00 0.00 238 A 8.20 3.84 1.29 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 0.00 0.00 239 L 7.42 3.80 0.00 1.45 1.30 0.62 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 240 Y 8.69 4.59 0.00 2.87 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 0.00 241 G 9.44 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 0.00 0.00 0.00 0.00 242 Y 7.04 4.54 0.00 3.07 2.92 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 0.00 0.00 0.00 0.00 243 D 8.89 4.40 0.00 2.71 2.75 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 0.00 0.00 0.00 0.00 244 I 8.02 3.58 1.04 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.87 0.68 0.00 0.00 245 R 7.76 4.20 0.00 1.85 1.96 0.00 3.30 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 246 S 8.81 4.51 0.00 3.99 3.81 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 0.00 247 A 8.32 4.13 1.20 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 0.00 248 H 8.38 3.49 0.00 2.88 3.09 0.00 5.74 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 249 N 7.50 4.21 0.00 2.51 2.52 0.00 0.00 6.89 7.56 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 * Residues marked with a * may have inaccurate shift predictions.