NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 301 A 4.0731 8.1233 122.4567 51.9281 20.8209 175.8941 *303 D 4.2478 8.5593 118.8915 54.5587 41.0044 176.1108 304 C 4.5216 8.8449 121.7185 59.5979 41.6571 174.2151 305 A 4.7438 7.3312 117.7488 50.7870 22.4375 175.3978 306 K 4.7948 8.4565 120.4499 53.5370 35.6179 176.8235 307 G 3.8758 7.5417 112.8850 45.5403 0.0000 171.5784 308 K 4.4544 7.9682 118.5443 55.8785 32.8157 176.8351 309 I 4.1265 8.0712 122.4671 60.8281 37.5673 175.7285 310 E 4.2855 9.2368 128.4104 58.8693 29.8960 176.5219 311 F 5.1828 7.3353 112.2770 55.9524 41.2847 172.4336 312 S 5.1754 8.8017 113.2454 56.8265 66.6171 173.2043 313 K 4.5325 8.3665 121.3711 55.4405 35.8348 173.7757 314 Y 4.8384 8.7964 129.0755 56.8642 39.8151 174.4914 315 N 4.8274 8.3918 124.2241 51.7027 40.5591 176.0688 316 E 4.0192 8.8422 121.6385 59.3458 29.8582 177.3377 317 D 4.5773 7.9060 115.5123 53.3131 39.5242 176.2870 318 N 4.2246 8.0136 115.6703 54.1231 36.7056 174.1556 319 T 4.4343 7.7322 109.9664 60.7124 71.5606 173.1535 320 F 5.3488 9.0403 123.1826 56.7678 42.7085 173.4294 321 T 5.3601 8.5602 122.3757 61.9963 71.5646 173.6570 322 V 4.7763 9.0083 117.6014 59.4056 36.6367 174.3085 323 K 4.6653 8.0827 124.6424 54.5872 34.4454 175.0152 324 V 4.4862 8.4153 127.2448 61.4354 34.7753 175.6174 325 S 3.4983 9.5435 124.2018 59.8257 60.0286 173.4468 326 G 3.9480 8.3426 105.8009 45.8087 0.0000 173.7872 327 R 4.5962 7.5642 118.7554 54.2464 33.4424 174.7110 328 E 4.8565 8.3044 121.7823 55.3227 31.8015 174.8308 329 Y 5.4006 8.9968 120.1869 56.1002 42.8731 174.2198 330 W 5.7023 8.6341 118.3039 55.3154 32.3295 173.8956 331 T 4.4639 9.0387 114.0356 60.4165 70.4432 173.5525 332 N 4.4217 8.3999 123.0074 52.4412 37.9527 174.9960 333 R 3.9494 7.4315 119.1630 55.4296 29.8170 176.9938 334 W 4.7328 8.4436 124.0318 60.4343 28.0823 178.1458 335 N 4.4290 8.5443 115.2265 56.4509 37.8252 177.1079 336 L 4.3089 8.0657 120.0581 57.1442 41.7010 178.8783 337 Q 3.2565 8.0332 118.8109 58.5424 28.6220 177.5362 338 P 4.2439 0.0000 0.0000 65.8184 31.4052 178.3681 339 L 3.8540 7.3882 115.7442 57.5340 41.4868 179.4838 340 L 4.3091 8.8485 119.7165 57.8243 41.6268 179.2981 341 Q 4.1420 8.2684 119.5320 59.4796 29.0391 178.4753 342 S 4.2122 8.3688 116.0415 61.5839 62.7481 176.5912 343 A 4.0761 8.1127 123.4940 55.1703 17.9977 179.5393 344 Q 3.9567 8.3678 118.1642 59.2930 28.9698 178.2652 345 L 4.0819 8.3406 119.5492 57.7074 41.8357 178.8006 346 T 4.3801 7.9801 106.2753 60.6249 69.7714 174.3869 347 G 3.8416 7.6704 109.3046 47.1639 0.0000 174.0414 348 M 4.4548 8.1151 117.6350 54.8769 33.7146 177.4473 349 T 4.4038 8.4421 118.2261 63.3630 70.0763 174.3575 350 V 4.7185 8.5132 119.6990 59.8073 35.3436 174.9917 351 T 4.6960 8.2436 119.2223 61.7794 71.6263 173.3330 352 I 3.8086 8.0824 128.3634 60.5010 38.4030 175.0293 353 I 4.8202 7.8341 128.0790 59.6371 39.2463 174.8805 354 S 4.4370 8.4058 120.7404 57.8755 65.4301 173.6625 355 N 4.5216 8.8235 118.2882 54.4046 38.8367 175.7250 356 T 4.5104 7.7911 107.9874 60.2429 70.0829 174.3808 357 C 4.9164 8.7355 122.9662 56.3577 35.7830 174.1928 358 S 4.3973 7.7513 115.8500 57.4853 63.4594 173.5450 359 S 3.6838 8.3925 117.1119 60.4582 62.2561 174.5463 360 G 4.0409 9.2073 116.2630 45.1926 0.0000 173.4566 361 S 4.7183 7.7204 116.0498 57.6715 64.6682 174.0128 362 G 2.8722 8.2354 109.0622 45.4291 0.0000 172.7782 363 F 4.9409 7.5172 114.1803 55.4687 41.0019 174.5402 364 A 4.3649 8.3187 119.8260 52.1526 20.7876 175.3388 365 E 4.9012 8.1920 118.9484 55.4609 33.1100 174.6680 366 V 4.7632 8.2719 124.2476 60.5583 34.3773 172.7228 367 Q 4.5674 8.4341 124.2264 54.3019 31.8325 173.9577 368 F 5.1273 8.8436 124.1034 55.8860 41.0616 175.2629 369 N 4.7014 9.1233 121.2627 53.2894 38.3444 174.8138 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 A 8.12 4.07 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 *303 D 8.56 4.25 0.00 2.52 2.63 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 0.00 0.00 0.00 0.00 304 C 8.84 4.52 0.00 2.46 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 0.00 305 A 7.33 4.74 1.16 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 0.00 0.00 306 K 8.46 4.79 0.00 1.67 1.58 0.00 1.90 0.00 0.00 1.66 0.00 0.00 2.75 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.30 7.81 307 G 7.54 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 0.00 0.00 0.00 308 K 7.97 4.45 0.00 1.77 1.77 0.00 1.87 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.41 7.81 309 I 8.07 4.13 1.93 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.50 0.93 0.00 0.00 310 E 9.24 4.29 0.00 1.95 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 2.44 2.30 0.00 311 F 7.34 5.18 0.00 3.11 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 0.00 312 S 8.80 5.18 0.00 3.55 3.93 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 0.00 313 K 8.37 4.53 0.00 1.92 1.69 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.41 7.81 314 Y 8.80 4.84 0.00 3.39 3.02 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 0.00 0.00 0.00 315 N 8.39 4.83 0.00 2.76 2.61 0.00 0.00 6.20 7.17 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 0.00 316 E 8.84 4.02 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 2.32 2.36 0.00 317 D 7.91 4.58 0.00 2.72 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 0.00 318 N 8.01 4.22 0.00 3.16 3.67 0.00 0.00 6.87 7.02 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 0.00 319 T 7.73 4.43 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 320 F 9.04 5.35 0.00 3.16 2.99 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 0.00 321 T 8.56 5.36 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 0.00 322 V 9.01 4.78 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 0.91 0.00 0.00 1.04 0.00 0.00 323 K 8.08 4.67 0.00 0.79 0.77 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.13 1.23 7.81 324 V 8.42 4.49 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 0.84 0.00 0.00 0.82 0.00 0.00 325 S 9.54 3.50 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 0.00 326 G 8.34 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 327 R 7.56 4.60 0.00 1.76 1.35 0.00 3.19 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 328 E 8.30 4.86 0.00 1.85 1.81 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 2.15 2.22 0.00 329 Y 9.00 5.40 0.00 2.71 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 0.00 330 W 8.63 5.70 0.00 3.52 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 0.00 331 T 9.04 4.46 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 1.17 0.00 0.00 332 N 8.40 4.42 0.00 2.52 2.88 0.00 0.00 6.12 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 0.00 333 R 7.43 3.95 0.00 1.76 1.86 0.00 3.24 0.00 0.00 3.00 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.62 0.00 334 W 8.44 4.73 0.00 3.38 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 0.00 335 N 8.54 4.43 0.00 2.86 2.94 0.00 0.00 7.04 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 0.00 336 L 8.07 4.31 0.00 1.89 1.81 0.93 0.89 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 0.00 337 Q 8.03 3.26 0.00 2.21 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 1.67 2.28 0.00 338 P 0.00 4.24 0.00 2.23 2.28 0.00 3.75 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.05 0.00 339 L 7.39 3.85 0.00 1.91 1.48 0.94 0.44 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 0.00 340 L 8.85 4.31 0.00 2.00 2.10 1.38 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 341 Q 8.27 4.14 0.00 2.26 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 342 S 8.37 4.21 0.00 3.97 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 0.00 343 A 8.11 4.08 1.66 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 0.00 0.00 344 Q 8.37 3.96 0.00 2.26 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 345 L 8.34 4.08 0.00 1.77 1.75 0.96 0.96 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 0.00 346 T 7.98 4.38 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 1.25 0.00 0.00 347 G 7.67 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 0.00 0.00 0.00 348 M 8.12 4.45 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.57 0.00 349 T 8.44 4.40 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 1.18 0.00 0.00 350 V 8.51 4.72 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 0.89 0.00 0.00 0.83 0.00 0.00 351 T 8.24 4.70 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 1.15 0.00 0.00 352 I 8.08 3.81 1.00 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.27 -0.35 0.00 0.00 353 I 7.83 4.82 1.90 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.59 0.93 0.00 0.00 354 S 8.41 4.44 0.00 3.81 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 0.00 355 N 8.82 4.52 0.00 2.73 2.84 0.00 0.00 6.68 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 0.00 356 T 7.79 4.51 4.28 0.00 0.00 0.00 0.00 0.00 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 0.00 357 C 8.74 4.92 0.00 3.01 3.21 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 0.00 0.00 0.00 0.00 358 S 7.75 4.40 0.00 4.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.39 3.68 0.00 3.69 3.74 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 0.00 0.00 0.00 0.00 360 G 9.21 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 361 S 7.72 4.72 0.00 3.93 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 0.00 362 G 8.24 2.87 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 0.00 363 F 7.52 4.94 0.00 2.82 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 0.00 364 A 8.32 4.36 1.09 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 0.00 0.00 0.00 0.00 0.00 365 E 8.19 4.90 0.00 1.98 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 2.23 2.27 0.00 366 V 8.27 4.76 1.92 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 0.62 0.00 0.00 0.27 0.00 0.00 367 Q 8.43 4.57 0.00 2.06 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 368 F 8.84 5.13 0.00 2.91 2.95 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 0.00 0.00 0.00 369 N 9.12 4.70 0.00 2.56 2.70 0.00 0.00 6.92 7.11 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 * Residues marked with a * may have inaccurate shift predictions.