NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 201 A 4.0590 8.1233 122.4575 51.9906 20.8061 175.7963 *203 D 4.5430 8.5591 118.8419 54.4771 40.8303 175.9540 204 C 4.5127 8.6584 121.2034 59.6136 35.5291 173.9104 205 A 4.7120 7.4013 117.6011 50.9758 22.5048 175.6221 206 K 4.7218 7.6542 120.2172 54.2195 35.7610 176.4299 207 G 3.8569 7.6212 113.4933 45.8059 0.0000 171.5686 208 K 4.6614 8.0186 118.6070 55.7906 32.9412 176.6365 209 I 4.1127 8.0312 122.1535 61.0054 37.7448 175.8621 210 E 4.3008 9.1385 128.3578 58.9785 30.0778 176.3939 211 F 5.1356 7.2947 111.9893 56.0749 41.0561 172.8331 212 S 5.1404 8.8692 113.2564 56.6980 66.4741 173.1419 213 K 4.6219 8.7096 121.8945 55.1482 35.7899 174.0170 214 Y 5.0354 8.8540 128.5758 56.5856 39.9321 174.7350 215 N 4.8747 8.6852 124.5442 51.6402 40.4013 175.8846 216 E 4.0251 8.6750 120.9897 59.4106 29.8039 177.4075 217 D 4.5194 7.8948 115.1136 53.5005 39.4799 176.4190 218 N 4.1212 8.0669 116.0956 53.7788 36.7871 174.2312 219 T 4.6138 7.9065 109.4940 60.9327 71.2248 173.2660 220 F 5.4206 9.1903 124.3469 56.8117 42.6146 173.8989 221 T 5.3200 8.5763 121.9631 61.9556 71.6778 173.5432 222 V 4.6993 9.0963 118.0288 59.3371 36.5178 174.4424 223 K 4.6519 8.1752 124.6095 54.6245 34.4620 174.9068 224 V 4.4730 8.3840 127.5609 61.3823 34.5361 175.7331 225 S 3.5478 9.5321 123.9791 59.8346 60.0300 173.4070 226 G 3.9418 8.3803 106.0940 45.7706 0.0000 173.9016 227 R 4.6165 7.6672 118.5768 54.2659 33.5321 174.6452 228 E 4.9592 8.2541 121.2166 55.1076 32.0476 174.8022 229 Y 5.3811 8.9806 120.2886 56.0903 42.8517 174.2159 230 W 5.7173 8.7634 118.4341 55.2793 32.1972 173.9634 231 T 4.5863 9.2633 114.5596 60.4433 70.4599 173.6866 232 N 5.0781 8.6864 122.6394 52.5419 38.1816 174.8459 233 R 4.1388 8.0331 119.5991 56.2301 29.8105 177.1232 234 W 4.8382 8.8902 133.4005 60.8675 30.3714 177.8752 235 N 4.1890 8.3649 115.2753 56.1176 37.8155 177.3261 236 L 4.1894 7.9886 120.6594 57.4629 41.5486 178.9084 237 Q 3.1314 7.2748 117.5284 58.6627 28.5245 178.0843 238 P 4.0955 0.0000 0.0000 65.7002 31.4038 178.4183 239 L 3.7867 7.2337 115.7874 57.5385 41.4807 179.4362 240 L 4.3234 8.8181 119.7972 57.8962 41.5443 179.3435 241 Q 4.1353 8.4818 119.9765 59.3474 28.9610 178.4229 242 S 4.0267 8.4296 116.3022 61.4672 62.7671 176.4488 243 A 4.0515 8.1244 123.5824 55.1294 17.8091 179.5750 244 Q 3.9446 8.3248 118.0538 59.4254 29.0531 178.1873 245 L 4.0595 8.6075 119.4557 57.2357 41.7463 178.6158 246 T 4.4613 8.0472 106.9574 60.3634 69.9597 174.2214 247 G 3.7560 7.7371 109.1657 47.0895 0.0000 173.7822 248 M 4.4646 8.2548 118.2215 54.8274 33.9007 176.9750 249 T 4.5183 8.3768 117.0815 62.9253 70.0939 174.6700 250 V 4.6111 8.4905 119.9595 59.9238 35.1393 175.5086 251 T 4.5088 8.1193 118.7843 61.6604 71.7499 173.3939 252 I 3.7362 7.8992 128.5104 60.8023 38.2045 175.3895 253 I 4.8204 7.7421 127.7385 59.6697 39.4973 174.8290 254 S 4.4055 8.3696 120.2245 58.0983 65.5170 174.5012 255 N 4.5039 8.9192 119.1177 54.8464 38.7510 175.9247 256 T 4.5173 7.7760 108.0246 60.2930 70.0993 174.5132 257 C 4.9429 8.7534 122.8184 56.3824 35.6643 174.0361 258 S 4.4478 7.7726 115.7624 57.4044 63.5510 173.5163 259 S 3.6663 8.3968 117.0276 60.4670 62.2625 174.5971 260 G 4.0458 9.1836 116.0885 45.1867 0.0000 173.5039 261 S 4.7401 7.7096 116.0389 57.6756 64.6265 174.0893 262 G 2.9044 8.3211 109.2791 45.6133 0.0000 172.7071 263 F 4.9617 7.5621 114.3164 55.6022 40.9910 174.4617 264 A 4.4011 8.3595 119.6132 52.1431 20.8465 175.3686 265 E 4.8900 8.2864 119.1186 55.4380 32.9893 174.5890 266 V 4.8487 8.3785 124.9355 60.2461 34.8807 173.5300 267 Q 4.5528 8.5256 123.8685 54.3775 31.4796 173.9115 268 F 5.2357 8.8073 124.4211 55.8138 41.1013 175.3874 269 N 4.7122 9.1840 120.7772 53.3626 38.4962 174.4815 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 201 A 8.12 4.06 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 *203 D 8.56 4.54 0.00 2.52 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 C 8.66 4.51 0.00 2.49 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 0.00 205 A 7.40 4.71 1.13 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 0.00 0.00 206 K 7.65 4.72 0.00 1.49 1.59 0.00 1.90 0.00 0.00 1.66 0.00 0.00 2.75 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.43 7.81 207 G 7.62 3.86 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 0.00 0.00 0.00 208 K 8.02 4.66 0.00 1.76 1.76 0.00 1.87 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.41 7.81 209 I 8.03 4.11 1.92 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.49 0.95 0.00 0.00 210 E 9.14 4.30 0.00 1.96 1.87 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 0.00 2.43 2.29 0.00 211 F 7.29 5.14 0.00 3.10 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 0.00 212 S 8.87 5.14 0.00 3.35 3.84 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 0.00 213 K 8.71 4.62 0.00 1.89 1.70 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.42 7.81 214 Y 8.85 5.04 0.00 3.40 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 0.00 215 N 8.69 4.87 0.00 2.91 2.65 0.00 0.00 6.20 8.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 E 8.67 4.03 0.00 1.96 1.98 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 2.31 2.35 0.00 217 D 7.89 4.52 0.00 2.74 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 N 8.07 4.12 0.00 2.95 3.14 0.00 0.00 6.89 7.15 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 0.00 219 T 7.91 4.61 4.56 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 0.00 0.00 0.00 1.26 0.00 0.00 220 F 9.19 5.42 0.00 3.08 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 0.00 221 T 8.58 5.32 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 1.32 0.00 0.00 222 V 9.10 4.70 2.06 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 0.81 0.00 0.00 1.07 0.00 0.00 223 K 8.18 4.65 0.00 0.79 0.74 0.00 1.49 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.11 1.24 7.81 224 V 8.38 4.47 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 0.88 0.00 0.00 0.82 0.00 0.00 225 S 9.53 3.55 0.00 4.06 3.92 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 0.00 226 G 8.38 3.94 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 0.00 0.00 0.00 227 R 7.67 4.62 0.00 1.81 1.38 0.00 3.21 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 228 E 8.25 4.96 0.00 1.82 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 2.11 2.20 0.00 229 Y 8.98 5.38 0.00 2.70 2.89 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 0.00 230 W 8.76 5.72 0.00 3.61 3.22 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 0.00 231 T 9.26 4.59 2.69 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 1.16 0.00 0.00 232 N 8.69 5.08 0.00 2.95 3.12 0.00 0.00 6.13 7.66 0.00 0.00 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 8.03 4.14 0.00 1.85 1.96 0.00 3.35 0.00 0.00 3.13 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 234 W 8.89 4.84 0.00 3.37 3.19 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 0.00 235 N 8.36 4.19 0.00 2.85 2.82 0.00 0.00 6.98 6.74 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 0.00 236 L 7.99 4.19 0.00 1.84 1.78 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 237 Q 7.27 3.13 0.00 1.65 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.80 0.00 0.00 0.00 0.00 0.00 1.55 2.09 0.00 238 P 0.00 4.10 0.00 2.11 2.11 0.00 3.40 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.78 0.00 239 L 7.23 3.79 0.00 1.87 1.41 0.89 0.37 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 0.00 240 L 8.82 4.32 0.00 2.03 2.11 1.37 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 241 Q 8.48 4.14 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 242 S 8.43 4.03 0.00 3.81 3.84 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 0.00 243 A 8.12 4.05 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.32 3.94 0.00 2.25 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 245 L 8.61 4.06 0.00 1.78 1.75 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 246 T 8.05 4.46 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 1.24 0.00 0.00 247 G 7.74 3.76 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 0.00 0.00 0.00 248 M 8.25 4.46 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.56 0.00 249 T 8.38 4.52 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 1.17 0.00 0.00 250 V 8.49 4.61 1.75 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 0.72 0.00 0.00 0.85 0.00 0.00 251 T 8.12 4.51 4.07 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 1.07 0.00 0.00 252 I 7.90 3.74 1.01 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.53 -0.44 0.00 0.00 253 I 7.74 4.82 1.94 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.63 0.94 0.00 0.00 254 S 8.37 4.41 0.00 3.80 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 255 N 8.92 4.50 0.00 2.75 2.85 0.00 0.00 6.73 7.54 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 0.00 256 T 7.78 4.52 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 0.00 257 C 8.75 4.94 0.00 3.01 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 0.00 258 S 7.77 4.45 0.00 4.01 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 0.00 259 S 8.40 3.67 0.00 3.70 3.75 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 0.00 260 G 9.18 4.05 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 0.00 261 S 7.71 4.74 0.00 3.97 3.87 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 0.00 0.00 0.00 0.00 262 G 8.32 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 0.00 0.00 0.00 263 F 7.56 4.96 0.00 3.00 2.77 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 0.00 0.00 0.00 264 A 8.36 4.40 1.15 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 0.00 265 E 8.29 4.89 0.00 2.00 1.73 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 2.24 2.29 0.00 266 V 8.38 4.85 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 0.71 0.00 0.00 0.20 0.00 0.00 267 Q 8.53 4.55 0.00 2.05 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 268 F 8.81 5.24 0.00 2.92 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 0.00 269 N 9.18 4.71 0.00 2.66 2.68 0.00 0.00 6.90 7.39 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 * Residues marked with a * may have inaccurate shift predictions.