NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -7 M 4.3718 8.3049 120.3499 55.8912 33.3141 175.1917 -6 H 4.4505 8.6495 116.7592 53.9027 27.5272 171.7458 -5 H 4.7672 8.5897 123.1911 54.4973 32.0991 173.3379 -4 H 4.3287 8.4828 126.3289 54.6455 30.5801 173.4294 -3 H 4.3601 8.1390 127.2959 54.1869 29.5616 173.6607 -2 H 4.3341 8.2083 126.8727 56.4960 30.3610 174.1482 -1 H 4.8866 8.2455 121.9039 53.4663 30.7206 174.0449 0 G 3.7044 8.4406 111.0322 46.8398 0.0000 173.2589 1 M 3.3645 8.5649 118.6932 55.8808 29.6622 176.8027 2 E 4.3808 7.6187 117.5832 56.7512 30.9847 176.5372 3 E 4.8626 8.6962 119.5795 55.1190 33.3310 173.7275 4 V 4.7517 9.1922 118.2366 58.6766 36.4678 174.6381 5 T 5.0162 8.4809 111.8409 60.0375 71.0780 173.2788 6 I 4.5104 9.0998 126.0661 59.4140 40.1513 174.5049 7 K 4.8525 8.7791 126.3761 54.7844 33.6046 175.4689 8 A 4.5692 9.1417 128.5734 50.5814 20.8471 175.1288 9 N 4.9154 8.7809 121.5420 51.9206 40.8565 173.7465 10 L 4.3159 9.1545 128.1179 53.4173 43.3809 175.8060 11 I 4.4790 7.9189 125.1395 59.5053 38.9939 175.7383 12 F 4.7700 8.7343 126.1354 55.9890 40.5983 176.9768 13 A 4.0129 9.0327 123.5054 55.6368 18.1174 178.5441 14 N 4.5999 8.2007 109.6548 53.2814 37.5454 175.9332 15 G 4.0263 8.3295 108.9692 45.3308 0.0000 174.3474 16 S 4.6720 7.8487 114.4035 58.6577 64.6519 173.0305 17 T 5.3238 8.3045 110.0265 60.6301 72.4060 172.3967 18 Q 4.8425 8.8962 121.6756 54.9864 32.8129 173.2115 19 T 5.3259 8.5232 114.2693 60.2122 72.0936 172.5806 20 A 4.5466 8.6706 123.2231 50.8207 23.2102 174.7744 21 E 4.9626 7.9886 117.8986 54.5194 32.6559 175.8011 22 F 4.9179 9.1017 120.9930 55.7767 43.4717 173.9981 23 K 4.9313 9.3581 119.8684 55.0726 36.1078 176.5033 24 G 3.6705 7.8601 108.5377 45.0941 0.0000 173.4891 25 T 4.5923 8.2647 113.2558 61.1601 71.0955 175.1832 26 F 4.0482 9.2636 123.6723 61.4855 39.4684 177.1058 27 E 3.8678 8.2813 117.7021 59.2120 29.3105 179.2099 28 K 3.8107 8.1573 119.2522 59.4372 32.4268 178.6486 29 A 3.9989 8.2049 121.7195 55.4817 18.2222 179.7645 30 T 3.1156 7.4938 108.5005 64.4331 68.6999 177.0907 31 S 3.9501 7.5173 116.6788 61.1092 62.9829 176.4353 32 E 3.7291 7.8035 122.0432 58.9137 29.1550 179.0417 33 A 2.9119 6.7596 120.5896 55.0167 18.2720 179.3726 34 Y 3.9849 7.6886 115.3459 60.9284 37.6881 178.3428 35 A 4.0625 7.9511 121.2895 55.1967 18.8758 178.7655 36 Y 4.2890 8.0794 117.8521 60.8584 38.9409 178.0215 37 A 3.5770 7.8726 121.6647 55.1567 18.1447 179.3534 38 D 4.6676 8.4123 117.6226 57.5522 40.6649 178.7145 39 T 4.0873 7.5613 108.4369 63.4116 69.2942 175.6321 40 L 4.4382 7.6421 120.9764 54.9950 42.2575 178.3210 41 K 4.5474 7.8005 123.5986 59.2976 31.7290 179.5657 *42 K 3.8932 8.0810 119.4829 57.5240 31.5543 179.7272 43 D 4.7667 7.9868 116.3245 54.4103 41.6465 176.7641 44 N 4.7745 8.4780 114.3123 52.3666 40.0295 175.0004 45 G 3.9292 8.3469 106.2806 44.2634 0.0000 172.6102 46 E 4.2093 8.3454 117.7406 55.7579 30.0108 176.5367 47 W 5.0348 7.8552 118.3115 54.7302 31.1680 174.5365 48 T 4.7635 8.4836 108.5429 59.8013 71.3351 173.4444 49 V 4.6299 8.1702 120.4709 59.8790 34.5102 174.2548 50 D 4.7779 8.6488 120.3516 52.4055 43.4610 174.9756 51 V 4.1887 8.4443 126.2520 61.3345 32.3725 174.9554 52 V 4.3655 8.2445 127.1518 60.0323 32.8885 173.1909 53 P 4.4357 0.0000 0.0000 62.7808 31.7905 176.2996 54 K 4.5233 8.3699 117.4153 56.4146 34.6631 176.3024 55 A 4.8202 7.3639 119.1088 50.8191 22.0940 174.5160 56 Y 4.8769 8.4000 116.8380 56.6452 42.2059 174.7864 57 T 4.6429 8.5308 117.7959 61.7335 71.0088 173.7908 58 L 4.5558 8.5164 125.5983 53.0135 43.4466 175.6866 59 N 4.6682 8.7118 121.9457 51.8686 38.7403 174.6078 60 I 4.2092 8.2399 125.1004 59.2899 38.3739 175.1753 61 K 4.5789 8.3786 126.8362 54.4401 33.7714 175.1007 62 F 4.5610 8.8441 124.5787 56.0960 40.3841 175.9135 63 A 4.1259 8.6767 127.4039 52.7963 19.0701 177.6651 64 G 4.1022 8.2940 108.7776 45.9425 0.0000 173.2342 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 -7 M 8.30 4.37 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.56 0.00 -6 H 8.65 4.45 0.00 3.30 3.36 0.00 5.93 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -5 H 8.59 4.77 0.00 3.07 3.22 0.00 5.91 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -4 H 8.48 4.33 0.00 2.52 3.06 0.00 5.96 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 -3 H 8.14 4.36 0.00 3.07 3.14 0.00 5.99 0.00 0.00 0.00 0.00 6.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 H 8.21 4.33 0.00 3.04 3.11 0.00 5.92 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 8.25 4.89 0.00 3.13 3.10 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 G 8.44 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.56 3.36 0.00 2.18 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 2.52 2.46 0.00 2 E 7.62 4.38 0.00 2.04 2.10 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 2.36 2.34 0.00 3 E 8.70 4.86 0.00 1.71 1.72 0.00 0.00 0.00 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 1.88 0.00 4 V 9.19 4.75 2.13 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 0.89 0.00 0.00 1.08 0.00 0.00 5 T 8.48 5.02 4.22 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 1.20 0.00 0.00 6 I 9.10 4.51 1.95 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 1.22 0.95 0.91 0.00 0.00 7 K 8.78 4.85 0.00 1.62 1.73 0.00 1.82 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.35 7.81 8 A 9.14 4.57 1.39 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 0.00 0.00 0.00 9 N 8.78 4.92 0.00 2.69 2.70 0.00 0.00 7.11 7.78 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 10 L 9.15 4.32 0.00 1.56 0.96 1.02 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.92 4.48 1.78 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 1.28 0.47 0.88 0.00 0.00 12 F 8.73 4.77 0.00 3.12 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 13 A 9.03 4.01 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.20 4.60 0.00 2.87 2.96 0.00 0.00 6.22 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.33 4.03 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 0.00 0.00 0.00 16 S 7.85 4.67 0.00 4.03 4.08 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 0.00 0.00 0.00 0.00 17 T 8.30 5.32 4.30 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 1.21 0.00 0.00 18 Q 8.90 4.84 0.00 2.41 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 19 T 8.52 5.33 4.22 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 1.26 0.00 0.00 20 A 8.67 4.55 0.89 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 0.00 0.00 21 E 7.99 4.96 0.00 1.57 1.64 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 2.07 2.16 0.00 22 F 9.10 4.92 0.00 2.80 2.76 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 23 K 9.36 4.93 0.00 1.56 1.65 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.75 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.31 1.38 7.81 24 G 7.86 3.67 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 0.00 0.00 0.00 25 T 8.26 4.59 4.49 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 26 F 9.26 4.05 0.00 3.01 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 27 E 8.28 3.87 0.00 2.12 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 2.45 2.55 0.00 28 K 8.16 3.81 0.00 1.77 1.76 0.00 1.70 0.00 0.00 1.60 0.00 0.00 3.22 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.58 7.81 29 A 8.20 4.00 1.31 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 0.00 0.00 30 T 7.49 3.12 3.15 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 0.13 0.00 0.00 31 S 7.52 3.95 0.00 4.06 4.17 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 0.00 0.00 0.00 0.00 32 E 7.80 3.73 0.00 1.74 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 0.00 2.23 2.40 0.00 33 A 6.76 2.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 7.69 3.98 0.00 2.97 3.16 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 35 A 7.95 4.06 1.39 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 0.00 0.00 0.00 36 Y 8.08 4.29 0.00 3.10 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 37 A 7.87 3.58 0.21 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 0.00 0.00 38 D 8.41 4.67 0.00 3.01 2.85 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 0.00 0.00 0.00 39 T 7.56 4.09 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 1.36 0.00 0.00 40 L 7.64 4.44 0.00 1.81 1.77 0.83 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.80 4.55 0.00 1.98 1.94 0.00 1.89 0.00 0.00 1.99 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.88 1.84 7.81 *42 K 8.08 3.89 0.00 1.77 1.75 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.05 7.81 43 D 7.99 4.77 0.00 2.59 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 44 N 8.48 4.77 0.00 2.99 3.06 0.00 0.00 7.15 7.08 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 45 G 8.35 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 0.00 0.00 0.00 46 E 8.35 4.21 0.00 1.93 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 0.00 2.25 2.25 0.00 47 W 7.86 5.03 0.00 3.42 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 48 T 8.48 4.76 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 1.16 0.00 0.00 49 V 8.17 4.63 2.33 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 0.84 0.00 0.00 1.11 0.00 0.00 50 D 8.65 4.78 0.00 2.62 2.59 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 0.00 0.00 0.00 51 V 8.44 4.19 2.26 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 1.10 0.00 0.00 1.16 0.00 0.00 52 V 8.24 4.37 2.13 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 0.98 0.00 0.00 0.99 0.00 0.00 53 P 0.00 4.44 0.00 1.90 1.88 0.00 3.84 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 54 K 8.37 4.52 0.00 1.69 1.85 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.34 7.81 55 A 7.36 4.82 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 8.40 4.88 0.00 2.82 2.80 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 0.00 0.00 0.00 57 T 8.53 4.64 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 1.23 0.00 0.00 58 L 8.52 4.56 0.00 1.60 1.56 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.71 4.67 0.00 2.69 2.78 0.00 0.00 7.04 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 8.24 4.21 1.92 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.55 0.63 0.00 0.00 61 K 8.38 4.58 0.00 1.67 1.65 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.15 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.49 7.81 62 F 8.84 4.56 0.00 3.02 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 63 A 8.68 4.13 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 64 G 8.29 4.10 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.