NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 285 H 4.6448 8.3027 117.8619 56.3504 30.2732 172.8350 286 M 4.7303 7.9591 120.7175 53.7838 32.7212 172.2427 287 T 4.5417 8.5940 122.1846 61.7386 70.9444 171.7479 288 P 4.3162 0.0000 0.0000 62.6968 33.0741 175.4220 289 I 5.3106 8.4190 116.4664 60.1330 41.8287 173.2333 290 I 4.9851 8.5609 113.5441 60.0991 41.3182 173.4426 291 H 5.4633 9.6227 121.2438 54.1750 31.8139 172.6659 292 L 5.1308 8.8876 123.7805 53.0780 43.7000 175.6582 293 K 4.9643 9.1520 123.4753 52.7835 35.7795 176.8220 294 G 3.9195 8.1612 109.5194 44.9113 0.0000 170.3191 295 D 4.5308 8.1013 117.8356 54.9439 42.3328 178.0709 296 R 3.8752 8.6675 125.7351 59.7036 30.2190 178.6311 297 N 4.3533 8.1807 116.0817 56.4105 39.0079 176.8163 298 S 4.0905 8.5790 115.1473 61.3791 62.4606 176.1861 299 L 4.0096 8.3936 122.1647 57.4455 41.2863 179.4498 300 K 3.9569 7.9701 119.4721 59.8421 32.0743 178.8163 301 C 4.2447 8.2160 116.9927 62.4280 27.9771 175.9292 302 L 3.9946 8.0528 122.2378 58.0330 41.6700 178.6558 303 R 3.8368 8.3156 119.1744 59.9076 29.7281 177.3771 304 Y 4.1785 7.7732 117.5548 61.2137 38.9492 178.3685 305 R 3.9976 7.8367 118.6862 59.1444 29.7729 178.9751 306 L 4.1273 8.4053 119.1692 57.5621 41.3686 178.8458 307 R 4.8647 7.9808 116.9927 56.2699 30.1903 178.0121 308 K 4.2473 7.8826 121.4810 58.4101 33.6815 177.4822 *309 H 4.8577 7.9170 116.8145 53.6919 28.4615 180.0748 *310 S 4.5156 8.0466 116.9816 59.8353 62.4859 177.1171 311 D 4.4524 7.7372 121.6093 56.6857 39.8447 182.0462 *312 H 5.0147 7.8513 113.3078 54.6255 28.2671 179.5726 313 Y 4.6310 6.9056 118.9507 58.1312 39.6452 175.4503 314 R 3.9490 8.5893 121.8998 59.3862 29.8546 177.0883 315 D 4.9268 7.6911 117.3424 53.2473 45.2573 173.7668 316 I 4.9493 8.2503 123.4535 59.3402 40.0331 175.7329 317 S 4.6300 8.8266 121.7286 57.3678 64.3889 173.8659 318 S 4.3320 8.4273 115.4140 58.1222 63.5593 173.9210 319 T 4.4490 8.3347 117.8765 63.2563 68.5333 174.0519 320 W 5.0502 8.5558 124.8533 55.2571 31.7560 173.7208 321 H 4.4075 8.3638 113.2831 54.7598 30.3208 173.4972 322 W 4.7754 8.6395 119.2003 56.5360 30.3018 177.4623 323 T 4.3777 8.5511 114.8116 60.9926 67.2404 175.1237 *328 E 4.3417 7.9551 123.4910 56.5511 32.4653 179.6076 329 K 4.1891 8.0735 118.2888 57.8613 31.9581 182.7101 330 T 4.3218 7.2214 105.9920 61.9618 70.1966 174.2381 331 G 4.1095 8.7981 110.1628 44.6903 0.0000 172.0552 332 I 4.6586 8.3954 119.2015 59.2824 41.6721 174.3903 333 L 4.9884 8.8639 128.5345 53.5681 44.7100 174.8770 334 T 5.0109 9.5079 123.3999 61.9399 71.1917 173.6592 335 V 4.6227 8.4934 125.8665 61.2296 34.5567 174.7374 336 T 4.8880 8.1227 117.7758 60.5817 71.5665 173.0050 337 Y 5.1127 8.4015 118.6128 56.6968 41.5724 175.8089 338 H 4.3541 10.8339 120.4201 58.6662 29.2949 176.0396 339 S 4.6355 7.6053 112.4867 56.4118 66.5578 175.4682 340 E 3.9470 8.6429 121.1503 59.6974 29.0953 179.7928 341 T 3.8430 7.8278 115.3804 66.6411 68.6211 176.3250 342 Q 4.0254 7.9829 121.0418 59.1952 29.1552 178.2193 343 R 2.6848 7.9870 119.7191 59.3155 29.7702 178.4788 344 T 3.8181 8.0260 114.7704 66.4257 68.7133 176.1691 345 K 4.0574 8.2243 121.3552 59.4808 32.2356 178.2018 346 F 4.0063 8.1863 121.0088 61.7933 39.0749 177.4374 347 L 4.1854 8.0996 116.1552 57.1870 41.4290 178.3995 348 N 4.7086 8.4267 115.8326 53.9236 39.1316 175.6384 349 T 4.4102 7.7441 106.9029 60.7664 70.4098 173.6288 350 V 3.7572 7.7248 123.2474 61.0662 32.1007 174.8910 351 A 4.2288 8.4125 130.8987 51.6867 18.6233 176.1445 352 I 4.4561 8.0653 124.3359 58.6179 39.2629 174.2304 353 P 4.3852 0.0000 0.0000 62.8274 31.5515 177.1341 354 D 4.4633 8.6476 120.5354 56.8344 40.9412 177.9654 355 S 4.2259 8.0023 112.9794 60.1346 63.5172 174.1895 356 V 4.4076 7.7189 121.6352 61.5160 32.5840 175.0199 357 Q 4.5586 9.4632 129.9084 54.9891 30.9033 173.9778 358 I 4.9230 8.3131 126.2111 59.6129 39.5150 174.9271 359 L 4.7268 8.8586 126.3040 52.9804 44.9741 175.7293 360 V 4.2775 8.4202 124.4476 62.2624 32.8337 175.8157 361 G 4.1870 7.8726 112.0165 46.7775 0.0000 171.3661 362 Y 5.8315 9.1190 117.0004 55.9571 42.8227 173.8254 363 M 5.0749 8.4892 117.0529 54.6539 35.5773 175.2828 364 T 4.6443 8.1065 107.1924 61.5273 69.0051 173.5553 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 285 H 8.30 4.64 0.00 3.26 3.42 0.00 5.74 0.00 0.00 0.00 0.00 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 286 M 7.96 4.73 0.00 2.08 1.96 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 287 T 8.59 4.54 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 1.28 0.00 0.00 288 P 0.00 4.32 0.00 1.99 2.15 0.00 3.84 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.04 0.00 289 I 8.42 5.31 1.94 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.54 0.96 0.00 0.00 290 I 8.56 4.99 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.50 0.81 0.00 0.00 291 H 9.62 5.46 0.00 3.09 3.20 0.00 5.61 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 292 L 8.89 5.13 0.00 1.57 1.59 1.01 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 293 K 9.15 4.96 0.00 1.62 1.60 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.08 7.81 294 G 8.16 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 0.00 0.00 0.00 295 D 8.10 4.53 0.00 2.70 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 296 R 8.67 3.88 0.00 1.89 1.94 0.00 3.25 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 297 N 8.18 4.35 0.00 2.73 2.96 0.00 0.00 6.81 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 0.00 298 S 8.58 4.09 0.00 3.90 4.02 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 0.00 299 L 8.39 4.01 0.00 1.79 1.67 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 300 K 7.97 3.96 0.00 1.93 1.98 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.49 7.81 301 C 8.22 4.24 0.00 3.04 2.97 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 0.00 302 L 8.05 3.99 0.00 1.85 1.92 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 303 R 8.32 3.84 0.00 1.97 2.17 0.00 3.18 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 304 Y 7.77 4.18 0.00 2.99 3.31 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 0.00 0.00 0.00 0.00 305 R 7.84 4.00 0.00 2.04 1.96 0.00 3.21 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.03 0.00 306 L 8.41 4.13 0.00 1.72 1.73 1.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 307 R 7.98 4.86 0.00 1.73 2.02 0.00 3.16 0.00 0.00 3.13 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.79 0.00 308 K 7.88 4.25 0.00 1.81 1.79 0.00 1.50 0.00 0.00 1.49 0.00 0.00 2.13 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.34 1.40 7.81 *309 H 7.92 4.86 0.00 2.81 2.89 0.00 7.21 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *310 S 8.05 4.52 0.00 3.62 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 0.00 311 D 7.74 4.45 0.00 2.64 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.85 5.01 0.00 2.92 2.95 0.00 7.22 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 313 Y 6.91 4.63 0.00 2.72 3.03 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 0.00 314 R 8.59 3.95 0.00 1.64 1.87 0.00 3.30 0.00 0.00 3.15 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 315 D 7.69 4.93 0.00 2.75 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.25 4.95 1.74 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.46 0.75 0.00 0.00 317 S 8.83 4.63 0.00 3.87 3.89 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 0.00 318 S 8.43 4.33 0.00 4.03 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 0.00 319 T 8.33 4.45 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 1.23 0.00 0.00 320 W 8.56 5.05 0.00 3.25 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 0.00 321 H 8.36 4.41 0.00 3.06 3.13 0.00 5.52 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 322 W 8.64 4.78 0.00 3.35 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 0.00 323 T 8.55 4.38 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 *328 E 7.96 4.34 0.00 1.94 2.03 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 2.21 1.88 0.00 329 K 8.07 4.19 0.00 1.77 1.76 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.36 1.00 7.81 330 T 7.22 4.32 4.18 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 0.00 0.00 1.19 0.00 0.00 331 G 8.80 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 332 I 8.40 4.66 0.56 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 -0.09 0.36 0.00 0.00 333 L 8.86 4.99 0.00 1.67 1.47 0.98 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 334 T 9.51 5.01 4.38 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 335 V 8.49 4.62 1.78 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 0.21 0.00 0.00 0.74 0.00 0.00 336 T 8.12 4.89 4.16 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 1.15 0.00 0.00 337 Y 8.40 5.11 0.00 2.76 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 0.00 338 H 10.83 4.35 0.00 3.05 3.41 0.00 5.89 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 339 S 7.61 4.64 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 0.00 340 E 8.64 3.95 0.00 2.02 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 2.48 2.41 0.00 341 T 7.83 3.84 4.27 0.00 0.00 0.00 0.00 0.00 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 0.00 342 Q 7.98 4.03 0.00 2.26 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.75 2.55 0.00 343 R 7.99 2.68 0.00 1.20 1.53 0.00 2.86 0.00 0.00 2.87 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.50 0.00 344 T 8.03 3.82 4.39 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 0.00 0.00 0.00 1.21 0.00 0.00 345 K 8.22 4.06 0.00 1.96 2.04 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.47 7.81 346 F 8.19 4.01 0.00 3.66 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 0.00 347 L 8.10 4.19 0.00 1.85 1.77 0.88 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 348 N 8.43 4.71 0.00 2.78 2.86 0.00 0.00 6.76 7.48 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 0.00 349 T 7.74 4.41 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 1.20 0.00 0.00 350 V 7.72 3.76 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 0.22 0.00 0.00 0.11 0.00 0.00 351 A 8.41 4.23 1.25 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 0.00 352 I 8.07 4.46 1.90 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.05 0.95 0.00 0.00 353 P 0.00 4.39 0.00 2.22 2.19 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 354 D 8.65 4.46 0.00 2.69 2.78 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 0.00 355 S 8.00 4.23 0.00 3.97 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 0.00 356 V 7.72 4.41 2.22 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 0.75 0.00 0.00 0.93 0.00 0.00 357 Q 9.46 4.56 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.55 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 358 I 8.31 4.92 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.79 0.96 0.00 0.00 359 L 8.86 4.73 0.00 1.62 1.58 0.98 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 360 V 8.42 4.28 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 0.64 0.00 0.00 0.89 0.00 0.00 361 G 7.87 4.19 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 0.00 0.00 0.00 362 Y 9.12 5.83 0.00 2.76 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 0.00 363 M 8.49 5.07 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 364 T 8.11 4.64 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 1.32 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.