NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.5654 8.2876 117.8372 55.0816 29.1705 170.9296 *11 P 4.6590 0.0000 0.0000 62.6575 32.5805 176.3932 12 V 4.6881 9.0472 114.4297 59.7316 36.1075 174.2430 13 L 5.0769 8.5667 121.3077 53.2493 44.2515 176.6444 14 L 4.6234 8.7776 122.2484 53.0474 43.6729 174.4919 15 K 4.6827 8.3492 125.0668 54.0364 34.1743 175.5286 16 S 4.2223 9.0456 123.8905 58.5387 62.5999 175.2166 17 T 3.8879 8.6359 118.0786 64.4564 69.0345 175.3227 18 E 4.0735 8.1733 122.4133 58.1768 29.8187 176.8621 19 T 4.3441 7.5503 104.9752 60.3891 69.7484 174.7197 20 G 3.7488 8.1122 109.9181 46.2085 0.0000 173.3618 21 Q 4.5285 7.2933 117.6528 54.8708 30.7039 174.5316 22 Y 5.0534 8.9885 121.1098 56.6975 39.9537 175.3216 23 L 4.7055 8.8821 123.7024 55.2360 43.2844 176.1998 24 R 5.1339 9.0210 121.6516 54.4386 34.1230 173.5762 25 I 4.9419 8.3584 126.4035 59.6368 38.8928 175.5565 26 N 4.5238 9.2341 125.5918 51.8105 39.3162 174.4284 27 P 4.3342 0.0000 0.0000 65.8611 31.2987 177.3406 28 D 4.5209 7.9711 114.3547 53.4849 39.7491 177.0566 29 G 4.0022 8.5103 109.9147 45.4491 0.0000 174.3055 30 T 4.1345 8.2285 110.4667 61.3538 69.6489 173.3356 31 V 5.0269 8.1704 123.2585 61.5380 33.5961 174.2641 32 D 4.7446 9.0333 126.4110 52.5869 43.1125 173.7639 33 G 4.6408 8.6224 104.5720 45.2054 0.0000 172.7570 34 T 4.8668 8.8444 115.4439 60.6439 71.2654 174.2973 35 R 4.5031 8.6494 124.2003 56.1630 30.8531 176.8542 36 D 4.5936 8.2650 120.1307 53.1163 39.6280 176.5692 37 R 3.7173 8.4357 126.6712 58.2124 30.3321 177.4177 38 S 4.3152 8.0815 110.7064 58.9416 63.9578 173.6773 39 D 4.4676 7.9156 122.8997 53.1215 41.0794 174.9145 40 P 4.3460 0.0000 0.0000 65.1549 31.3629 177.3856 41 H 4.3130 8.7826 116.6868 57.1409 28.5882 176.2474 42 I 4.6821 7.3437 111.9079 60.3176 37.9626 175.3858 43 Q 4.6862 7.3980 120.8190 55.2504 29.6994 175.2435 44 F 4.8865 9.3374 121.8205 55.7501 43.4336 173.7346 45 Q 4.9756 8.8203 119.7359 54.3526 30.7641 175.0958 46 I 4.4788 8.4364 124.4124 59.5366 38.9486 175.2163 47 S 4.7765 8.2731 118.7020 55.4961 66.1145 172.0838 48 P 4.4161 0.0000 0.0000 62.3572 31.7489 176.5754 49 E 4.0579 8.9442 122.6954 58.2898 29.9615 177.0105 50 G 3.7485 7.8915 111.1179 45.5211 0.0000 172.3514 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 0 H 8.29 4.57 0.00 3.22 3.35 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *11 P 0.00 4.66 0.00 2.09 2.07 0.00 3.36 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.83 0.00 12 V 9.05 4.69 2.15 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 0.84 0.00 0.00 1.09 0.00 0.00 13 L 8.57 5.08 0.00 1.68 1.73 0.79 0.83 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 14 L 8.78 4.62 0.00 1.50 1.51 0.23 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.35 4.68 0.00 1.68 1.62 0.00 1.49 0.00 0.00 1.51 0.00 0.00 2.67 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.03 0.52 7.81 16 S 9.05 4.22 0.00 3.84 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 17 T 8.64 3.89 4.21 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 1.18 0.00 0.00 18 E 8.17 4.07 0.00 1.91 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 2.27 2.33 0.00 19 T 7.55 4.34 4.21 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 1.19 0.00 0.00 20 G 8.11 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 7.29 4.53 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.44 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 22 Y 8.99 5.05 0.00 3.08 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.88 4.71 0.00 1.56 1.59 0.73 0.81 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 24 R 9.02 5.13 0.00 1.97 2.09 0.00 3.24 0.00 0.00 3.31 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 25 I 8.36 4.94 1.87 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.07 0.99 0.00 0.00 26 N 9.23 4.52 0.00 2.82 2.68 0.00 0.00 6.56 7.85 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 27 P 0.00 4.33 0.00 2.00 2.13 0.00 3.53 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 28 D 7.97 4.52 0.00 2.76 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 29 G 8.51 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 0.00 0.00 0.00 30 T 8.23 4.13 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 1.30 0.00 0.00 31 V 8.17 5.03 2.12 0.00 0.00 0.00 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 0.99 0.00 0.00 32 D 9.03 4.74 0.00 2.74 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 33 G 8.62 4.64 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 0.00 0.00 0.00 34 T 8.84 4.87 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 1.38 0.00 0.00 35 R 8.65 4.50 0.00 1.88 2.00 0.00 3.27 0.00 0.00 3.16 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 36 D 8.27 4.59 0.00 2.79 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 37 R 8.44 3.72 0.00 1.83 1.95 0.00 2.92 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 38 S 8.08 4.32 0.00 4.01 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 39 D 7.92 4.47 0.00 2.97 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 40 P 0.00 4.35 0.00 2.11 2.20 0.00 3.75 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 41 H 8.78 4.31 0.00 3.35 3.53 0.00 5.80 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 42 I 7.34 4.68 1.92 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.41 0.95 0.00 0.00 43 Q 7.40 4.69 0.00 1.81 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.71 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 44 F 9.34 4.89 0.00 2.93 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 45 Q 8.82 4.98 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.72 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 46 I 8.44 4.48 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.62 0.92 0.00 0.00 47 S 8.27 4.78 0.00 3.92 3.80 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 48 P 0.00 4.42 0.00 2.07 2.03 0.00 3.69 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 49 E 8.94 4.06 0.00 1.93 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 2.30 2.26 0.00 50 G 7.89 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.