NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 353 M 4.4573 8.3049 118.1938 54.8481 32.0002 174.8507 354 K 3.9096 7.7646 121.9593 54.2004 33.2816 174.9578 355 P 4.2345 0.0000 0.0000 63.0560 32.5069 174.4240 356 E 4.5455 8.4839 119.8586 54.2609 31.0717 175.0305 357 K 4.5234 8.4186 126.3309 54.4991 34.9783 174.9263 358 I 4.3413 8.0050 126.2802 60.1042 38.9202 175.8528 359 D 4.7011 8.4418 124.8707 53.1675 40.4502 176.1790 360 C 4.6599 7.4672 117.7627 58.1045 35.3719 172.2904 361 N 4.6381 8.8608 126.0944 53.5513 39.2975 175.5861 362 F 4.6168 9.0788 124.2638 60.0638 39.0122 177.8408 363 K 4.2037 9.1506 117.9269 58.7394 31.8176 178.9971 364 L 4.1996 7.5720 118.4599 57.5103 41.9490 178.6996 365 I 4.3009 7.5740 113.4075 60.6201 37.9606 174.8798 366 Y 4.9820 7.5841 118.1420 56.3129 40.5644 173.6959 367 C 5.0001 8.1321 123.2812 59.2734 28.7037 175.3743 368 E 3.7711 9.2945 126.7208 59.8751 29.0126 176.6915 *377 L 3.9163 7.7325 121.2477 54.9229 43.0773 175.6437 378 E 4.6085 8.3480 125.5442 55.4628 31.4224 176.4068 379 F 5.1236 8.5734 120.9477 55.8665 43.3831 175.0591 380 S 4.3255 9.3165 119.2917 57.7702 63.9615 175.4656 381 L 3.9814 8.3521 120.3242 57.7336 41.3181 179.4518 382 E 4.0715 8.0568 116.9638 58.9234 29.8122 178.8887 383 E 3.8298 8.0473 120.0352 59.1807 29.4058 179.1970 384 V 3.2620 7.4530 117.9822 65.8423 31.5418 177.7616 385 L 3.7075 7.7474 119.3954 58.0680 41.8465 178.8078 386 A 4.0073 7.7508 120.5189 55.2998 18.1054 179.7478 387 I 3.6650 7.3063 117.3354 64.2079 37.1744 178.0764 388 S 4.1778 8.4870 114.5078 62.0483 62.5621 174.8928 389 R 4.4858 7.8881 118.7061 54.7101 34.2099 175.2813 390 N 4.9396 8.5531 114.8408 54.2707 38.8309 175.4620 391 V 4.3078 7.8312 114.3054 62.8949 32.4088 175.5908 392 Y 4.3839 8.0503 119.5711 60.5580 38.9814 175.7225 393 K 4.0916 7.6609 118.1949 55.0009 33.2789 177.0701 394 R 3.9201 7.9976 120.8998 57.3561 30.7149 177.1040 395 V 3.6671 8.2506 117.6106 63.3269 32.1032 170.9137 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 353 M 8.30 4.46 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 354 K 7.76 3.91 0.00 1.82 1.78 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.54 7.81 355 P 0.00 4.23 0.00 2.14 2.08 0.00 3.73 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 356 E 8.48 4.55 0.00 1.92 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 357 K 8.42 4.52 0.00 1.66 1.60 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.36 7.81 358 I 8.01 4.34 1.92 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.64 1.09 0.00 0.00 359 D 8.44 4.70 0.00 2.64 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 0.00 360 C 7.47 4.66 0.00 3.02 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 0.00 361 N 8.86 4.64 0.00 2.82 2.74 0.00 0.00 7.24 7.71 0.00 0.00 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 F 9.08 4.62 0.00 3.13 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 0.00 363 K 9.15 4.20 0.00 1.89 1.95 0.00 1.79 0.00 0.00 1.81 0.00 0.00 3.08 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.56 1.68 7.81 364 L 7.57 4.20 0.00 1.93 1.71 0.93 0.79 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 0.00 365 I 7.57 4.30 1.40 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.80 0.00 0.00 366 Y 7.58 4.98 0.00 3.09 2.84 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 0.00 367 C 8.13 5.00 0.00 3.00 2.27 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 0.00 368 E 9.29 3.77 0.00 1.97 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 2.37 2.41 0.00 *377 L 7.73 3.92 0.00 1.66 1.52 0.62 0.81 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 0.00 378 E 8.35 4.61 0.00 1.70 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.35 0.00 379 F 8.57 5.12 0.00 2.92 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 0.00 380 S 9.32 4.33 0.00 3.96 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 0.00 381 L 8.35 3.98 0.00 1.68 1.73 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 382 E 8.06 4.07 0.00 2.15 2.19 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 2.34 2.34 0.00 383 E 8.05 3.83 0.00 2.24 1.67 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 2.43 2.35 0.00 384 V 7.45 3.26 2.16 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 0.88 0.00 0.00 0.92 0.00 0.00 385 L 7.75 3.71 0.00 1.92 1.71 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 386 A 7.75 4.01 1.48 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 0.00 0.00 0.00 387 I 7.31 3.66 1.73 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.17 0.75 0.00 0.00 388 S 8.49 4.18 0.00 3.80 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 0.00 389 R 7.89 4.49 0.00 1.82 1.88 0.00 3.17 0.00 0.00 3.14 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 390 N 8.55 4.94 0.00 2.63 2.75 0.00 0.00 6.61 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 391 V 7.83 4.31 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 0.83 0.00 0.00 0.94 0.00 0.00 392 Y 8.05 4.38 0.00 2.77 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 0.00 393 K 7.66 4.09 0.00 1.75 1.63 0.00 1.75 0.00 0.00 1.41 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.40 7.81 394 R 8.00 3.92 0.00 1.74 1.85 0.00 3.18 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 395 V 8.25 3.67 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 0.69 0.00 0.00 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.