NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 301 M 4.5040 8.1633 118.3316 54.8948 33.4787 174.1693 302 L 4.5048 8.3816 122.1620 54.3399 42.9039 174.3791 303 I 4.8416 9.7205 126.0126 59.3566 41.5332 174.2840 304 K 4.8283 8.7024 125.0673 55.1556 34.1778 175.7231 305 V 4.9178 8.8249 124.9086 60.9451 34.0312 174.3496 306 K 5.1045 8.9277 126.8928 55.5887 36.2383 176.5582 307 T 4.7976 7.6464 110.5246 59.7984 71.1211 174.1559 308 L 4.2562 8.3621 119.6425 56.7849 41.9831 177.5565 309 T 4.2138 7.5037 107.3596 61.5623 69.2062 173.9765 310 G 4.2471 8.2775 111.6581 45.7372 0.0000 174.6042 311 K 4.0879 7.7221 120.2393 56.3549 32.8239 174.8813 312 E 5.0851 8.3819 121.7543 54.7866 32.9081 173.9180 313 I 4.6517 8.7493 114.2425 59.0904 41.5080 173.5291 314 E 5.1858 8.6670 122.9772 54.2954 31.9476 174.7718 315 I 4.6233 8.7504 120.0954 59.0424 41.1331 173.8668 316 D 5.2294 8.7472 125.2574 53.4334 41.6249 175.1401 317 I 4.7934 8.7239 119.4470 59.1785 41.1009 174.4029 318 E 4.6644 9.2120 122.1230 53.9927 31.4641 175.9187 319 P 4.2871 0.0000 0.0000 65.7978 31.5776 178.1420 320 T 4.2360 7.7343 105.4867 62.2988 69.6101 174.5790 321 D 4.4375 8.2712 124.9964 54.2464 41.5367 176.3759 322 K 4.6326 8.4435 123.0392 55.8741 33.1371 178.1853 323 V 3.6173 8.8165 121.1359 66.2169 31.2754 178.1420 324 E 3.9192 8.1253 118.7635 59.1964 29.4217 178.8504 325 R 3.9160 7.9125 118.7833 59.3461 30.1313 178.5541 326 I 3.7086 7.6046 119.2087 64.3853 37.0910 178.4132 327 K 4.2815 8.1654 120.6899 58.9712 31.8107 179.3149 328 E 3.9757 8.1994 118.9886 59.2692 29.1791 179.5776 329 R 3.9375 7.9738 118.4399 59.1159 30.1230 179.2070 330 V 3.5906 7.8194 118.2299 65.7956 31.4732 177.7415 331 E 4.1262 8.6498 121.0002 58.7326 29.3051 178.6852 332 E 4.0706 8.1545 116.5704 58.8927 29.6439 178.6700 333 K 4.1099 7.6750 119.7894 58.7349 32.6275 177.7931 334 E 4.4779 8.7542 116.5376 55.6825 30.4238 177.3485 335 G 3.8712 8.3051 106.6216 45.2766 0.0000 173.1386 336 I 4.0789 7.3955 121.4041 59.3077 37.7786 173.7043 337 P 4.5968 0.0000 0.0000 61.8758 32.0049 175.7517 338 P 4.2674 0.0000 0.0000 65.7599 31.3024 178.5211 339 Q 3.9912 8.0847 115.8615 58.5805 28.5829 176.9035 340 Q 4.5493 8.0981 115.6112 55.3757 29.3636 174.7729 341 Q 4.6799 7.9202 118.5003 54.4544 31.2262 174.7594 342 R 4.6627 8.6357 122.5603 54.6707 33.1983 173.6810 343 L 5.1571 8.5078 126.2386 53.1628 44.4308 175.4653 344 I 5.0248 8.8504 123.9741 59.6486 40.7892 173.8185 345 Y 4.8474 8.7381 130.1983 56.8663 41.8799 176.1173 *346 S 3.8635 9.2000 122.1129 59.1042 59.7664 170.0020 347 G 3.9787 8.3351 108.3979 46.1847 0.0000 174.3319 348 K 4.3317 7.9010 120.7056 54.9628 33.2375 175.4863 349 Q 4.4893 8.5433 125.3835 55.8271 29.4920 175.2027 350 M 3.7998 8.6421 128.1931 55.0161 32.8862 175.8910 351 N 4.5732 9.8429 123.7751 53.2025 40.1697 175.5389 352 D 4.4490 9.0987 125.9791 57.7128 41.1313 178.4215 353 E 4.1691 8.3711 116.5531 57.8121 29.9863 177.1271 354 K 4.4544 7.9198 118.8692 55.5668 33.4739 175.6272 355 T 4.9360 8.6899 110.7380 59.5455 71.3562 175.4915 356 A 3.9916 8.6022 123.8237 55.2359 18.7508 180.0239 357 A 4.0550 8.2278 119.0169 55.3274 18.6753 179.4897 358 D 4.2683 7.8088 114.6451 57.3637 40.8584 177.0216 359 Y 4.4709 7.5719 114.0733 56.9575 38.0807 175.3537 360 K 3.9093 7.8162 118.2144 57.3090 30.3534 175.5526 361 I 3.6151 7.6160 118.6802 60.8754 37.8526 175.6976 362 L 4.8082 8.4844 124.0249 52.0366 45.0094 175.9635 363 G 3.7888 8.3707 108.9607 47.2859 0.0000 174.2119 364 G 3.9870 9.0825 113.7303 44.8595 0.0000 174.0069 365 S 4.4474 7.9216 116.3283 58.6571 64.2311 173.2759 366 V 4.8157 8.5015 122.5334 61.2878 33.2353 174.5741 367 L 4.9997 8.9287 128.3001 53.4013 44.3471 175.0607 368 H 5.2413 9.2207 121.2623 54.4860 30.5708 173.7214 369 L 5.1399 8.9146 125.7230 53.5146 44.1368 175.5251 370 V 4.5755 8.6440 118.6767 59.1518 36.1276 175.1453 371 L 4.4904 8.5331 122.6005 55.3093 42.0305 177.7747 372 A 4.6427 8.8830 123.8774 50.0396 20.4049 176.5392 373 L 4.5173 8.0727 119.5585 54.2547 41.6906 177.5114 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 301 M 8.16 4.50 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.72 0.00 302 L 8.38 4.50 0.00 1.70 1.63 0.98 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 303 I 9.72 4.84 1.83 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 1.12 0.79 0.86 0.00 0.00 304 K 8.70 4.83 0.00 1.71 1.70 0.00 1.60 0.00 0.00 1.78 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.37 7.81 305 V 8.82 4.92 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 1.08 0.00 0.00 0.91 0.00 0.00 306 K 8.93 5.10 0.00 1.82 1.82 0.00 1.31 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.20 1.31 7.81 307 T 7.65 4.80 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 1.25 0.00 0.00 308 L 8.36 4.26 0.00 1.66 1.76 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 309 T 7.50 4.21 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 0.00 310 G 8.28 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 0.00 0.00 0.00 0.00 311 K 7.72 4.09 0.00 1.77 1.69 0.00 1.69 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.38 7.81 312 E 8.38 5.09 0.00 2.05 1.83 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 2.16 2.29 0.00 313 I 8.75 4.65 1.86 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 1.24 1.08 0.93 0.00 0.00 314 E 8.67 5.19 0.00 1.94 1.82 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 2.16 2.37 0.00 315 I 8.75 4.62 1.86 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 1.09 1.15 0.90 0.00 0.00 316 D 8.75 5.23 0.00 2.68 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 0.00 317 I 8.72 4.79 1.96 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 1.33 0.82 0.88 0.00 0.00 318 E 9.21 4.66 0.00 2.03 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 2.23 2.40 0.00 319 P 0.00 4.29 0.00 2.16 2.10 0.00 3.58 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 2.11 2.07 0.00 320 T 7.73 4.24 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 0.00 321 D 8.27 4.44 0.00 2.86 2.64 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 0.00 322 K 8.44 4.63 0.00 1.83 1.91 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.69 1.43 7.81 323 V 8.82 3.62 2.31 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 0.96 0.00 0.00 1.02 0.00 0.00 324 E 8.13 3.92 0.00 2.26 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 2.31 2.37 0.00 325 R 7.91 3.92 0.00 1.99 2.13 0.00 3.20 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.71 0.00 326 I 7.60 3.71 1.98 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.59 0.88 0.00 0.00 327 K 8.17 4.28 0.00 1.97 1.85 0.00 1.80 0.00 0.00 1.93 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.49 7.81 328 E 8.20 3.98 0.00 2.20 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 2.33 2.57 0.00 329 R 7.97 3.94 0.00 2.03 1.96 0.00 3.11 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 330 V 7.82 3.59 2.35 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 0.80 0.00 0.00 0.94 0.00 0.00 331 E 8.65 4.13 0.00 2.22 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 2.30 2.28 0.00 332 E 8.15 4.07 0.00 2.16 2.07 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 2.51 2.31 0.00 333 K 7.67 4.11 0.00 1.71 1.86 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.47 7.81 334 E 8.75 4.48 0.00 1.99 1.97 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 2.26 2.44 0.00 335 G 8.31 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 0.00 0.00 0.00 336 I 7.40 4.08 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.14 0.91 0.00 0.00 337 P 0.00 4.60 0.00 2.17 1.97 0.00 3.60 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 338 P 0.00 4.27 0.00 2.32 2.31 0.00 3.77 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 339 Q 8.08 3.99 0.00 2.18 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 340 Q 8.10 4.55 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 341 Q 7.92 4.68 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.53 0.00 342 R 8.64 4.66 0.00 1.86 1.93 0.00 3.06 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 343 L 8.51 5.16 0.00 1.56 1.49 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 344 I 8.85 5.02 1.90 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 1.10 0.84 0.90 0.00 0.00 345 Y 8.74 4.85 0.00 2.91 2.66 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 0.00 0.00 0.00 0.00 *346 S 9.20 3.86 0.00 3.83 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 0.00 347 G 8.34 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 0.00 348 K 7.90 4.33 0.00 1.99 1.87 0.00 1.91 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.63 7.81 349 Q 8.54 4.49 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.93 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 350 M 8.64 3.80 0.00 1.49 1.86 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 1.37 0.00 351 N 9.84 4.57 0.00 2.90 2.87 0.00 0.00 6.79 8.63 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 0.00 352 D 9.10 4.45 0.00 2.77 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 0.00 353 E 8.37 4.17 0.00 2.10 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 2.36 2.44 0.00 354 K 7.92 4.45 0.00 2.20 1.74 0.00 1.61 0.00 0.00 1.76 0.00 0.00 2.31 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.38 1.40 7.81 355 T 8.69 4.94 4.47 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 1.26 0.00 0.00 356 A 8.60 3.99 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 0.00 357 A 8.23 4.06 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 0.00 358 D 7.81 4.27 0.00 2.69 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 0.00 0.00 0.00 0.00 359 Y 7.57 4.47 0.00 2.94 3.10 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 0.00 0.00 0.00 0.00 360 K 7.82 3.91 0.00 2.06 1.97 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.43 7.81 361 I 7.62 3.62 1.77 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.22 0.07 0.61 0.00 0.00 362 L 8.48 4.81 0.00 1.72 1.56 1.11 1.08 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 0.00 363 G 8.37 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 364 G 9.08 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 0.00 365 S 7.92 4.45 0.00 3.77 3.88 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 0.00 366 V 8.50 4.82 2.11 0.00 0.00 0.00 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 0.94 0.00 0.00 367 L 8.93 5.00 0.00 1.57 1.53 0.84 0.65 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 0.00 368 H 9.22 5.24 0.00 3.13 3.23 0.00 5.77 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 0.00 369 L 8.91 5.14 0.00 1.73 1.51 1.01 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 370 V 8.64 4.58 2.08 0.00 0.00 0.00 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 0.93 0.00 0.00 371 L 8.53 4.49 0.00 1.53 1.60 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 372 A 8.88 4.64 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 0.00 373 L 8.07 4.52 0.00 1.65 1.61 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.