NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 S 4.4764 8.1776 115.4130 58.0458 64.5208 175.5027 30 K 3.8910 8.2079 122.2691 58.6721 32.9842 175.5802 31 Q 4.2324 8.7124 119.9208 58.5240 29.4872 178.9157 32 K 4.1525 7.9314 119.3295 57.9858 32.1183 179.5378 33 V 3.6492 7.3256 119.8507 64.9048 31.4160 178.2606 34 Q 3.7899 7.9368 118.7863 58.6592 28.5329 178.1209 35 M 3.9268 7.8126 118.9040 58.9863 32.0939 178.6066 36 S 3.7666 7.6789 114.6248 61.5631 63.1203 176.4155 37 I 3.8418 7.7191 122.4240 64.9362 36.7973 178.1626 38 H 4.2157 8.4492 117.1662 59.0298 28.6832 177.7289 39 Q 3.8510 7.5717 121.4106 58.9652 28.8008 178.1190 40 F 4.2165 8.3584 119.2170 60.7483 38.9713 177.5653 41 T 3.9150 8.1464 115.4803 66.7993 68.3039 175.9302 42 N 4.2995 8.2478 118.6822 56.8021 38.4123 176.9771 43 I 3.7643 7.6377 120.6956 64.7817 37.2232 177.9252 44 C 4.4079 8.8644 117.7149 59.7312 37.9010 175.7855 45 F 4.0608 8.8456 122.7590 61.3340 38.7296 177.1639 46 K 3.8733 7.5537 115.9705 59.7419 32.0028 179.1595 47 K 4.1479 7.5631 116.0825 58.7060 32.1232 177.9271 48 C 4.8520 8.3822 115.2754 56.0915 41.4350 173.8323 49 V 3.9436 7.0879 120.3528 60.9861 30.2824 174.8866 50 E 4.2330 8.3562 123.8216 55.8730 30.2459 176.9801 51 S 4.5322 6.9343 113.0001 58.2799 64.4364 176.9310 52 V 4.2143 8.4174 122.7824 61.6683 31.2172 174.4302 53 N 4.9186 8.6854 124.1517 52.8262 41.0626 174.1143 54 D 5.0298 7.8558 115.2445 51.4997 42.5297 174.8400 55 S 4.7500 8.5087 110.9466 58.2053 63.3144 173.4608 56 N 5.0781 8.0113 116.7091 51.9350 41.3608 173.8802 57 L 4.5444 8.3205 121.5631 53.8108 42.5862 177.8583 58 S 4.4553 9.3667 120.0562 57.5846 65.4872 175.4583 59 S 4.2085 8.4363 116.8074 61.7163 62.7646 175.8976 60 Q 3.9564 8.1681 123.9400 58.7005 28.6120 178.4697 61 E 4.0836 7.8887 116.7228 58.7385 29.1634 178.4332 62 E 4.0042 8.1473 120.9705 58.9366 29.6264 178.2136 63 Q 4.0041 7.9534 119.3126 58.8618 29.2853 178.0067 64 C 4.1621 8.1959 119.6547 59.7355 41.8346 175.3573 65 L 3.9374 7.7526 121.7927 58.0490 41.6992 179.0108 66 S 4.2044 7.8007 113.1086 61.0193 63.3818 175.8290 67 N 4.2022 8.2438 120.4522 56.3401 38.3539 176.0281 68 C 4.1143 8.5336 119.8391 59.9754 44.4230 175.8062 69 V 3.2631 7.3652 118.7248 66.0144 30.9522 177.7649 70 N 4.2426 7.9896 115.8256 56.3908 38.4635 177.2291 71 R 3.8402 8.5196 120.3985 59.4985 30.0660 178.2444 72 F 3.6818 8.3640 120.2400 61.1895 39.5672 177.0993 73 L 4.0831 8.0155 118.5922 57.8835 41.3911 179.0642 74 D 4.3771 8.3317 119.0609 57.7616 40.7088 179.0852 75 T 3.7530 7.7737 115.8776 66.6778 68.3636 176.0252 76 N 4.2730 8.0030 118.2567 56.6871 38.6304 177.4480 77 I 3.6832 7.6135 120.3166 64.3539 37.1706 178.3615 78 R 3.8768 8.0600 119.5152 59.5438 29.8710 178.6049 79 I 3.6892 8.0756 120.0147 64.3585 37.1420 178.8927 80 V 3.6443 8.0359 120.2421 64.7591 31.2837 177.9516 81 N 4.3631 8.6312 117.8860 56.1956 38.2737 177.5543 82 G 3.7409 8.0197 105.3771 47.8854 0.0000 175.2504 83 L 4.1945 7.8694 120.2190 56.9021 41.7843 178.3754 84 Q 4.4131 7.7213 115.0062 56.1440 29.2513 176.8831 85 N 4.5080 7.9192 120.2712 56.1982 39.3068 175.7111 *86 T 4.1520 7.7252 114.9179 60.9678 69.3480 175.1856 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 29 S 8.18 4.48 0.00 4.02 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 0.00 30 K 8.21 3.89 0.00 2.01 1.99 0.00 1.56 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.55 7.81 31 Q 8.71 4.23 0.00 2.28 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 32 K 7.93 4.15 0.00 1.82 1.89 0.00 1.67 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.48 7.81 33 V 7.33 3.65 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 0.88 0.00 0.00 0.94 0.00 0.00 34 Q 7.94 3.79 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 35 M 7.81 3.93 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 36 S 7.68 3.77 0.00 3.93 3.61 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 I 7.72 3.84 1.96 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.86 0.95 0.00 0.00 38 H 8.45 4.22 0.00 3.22 3.25 0.00 5.62 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 7.57 3.85 0.00 1.88 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 1.77 2.15 0.00 40 F 8.36 4.22 0.00 3.02 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 41 T 8.15 3.91 4.44 0.00 0.00 0.00 0.00 0.00 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 42 N 8.25 4.30 0.00 2.88 2.94 0.00 0.00 7.31 7.38 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 43 I 7.64 3.76 1.80 0.00 0.00 0.43 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 1.02 0.96 0.00 0.00 44 C 8.86 4.41 0.00 3.06 3.17 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 45 F 8.85 4.06 0.00 3.17 3.12 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 0.00 0.00 0.00 0.00 46 K 7.55 3.87 0.00 2.13 1.90 0.00 1.88 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.59 1.81 7.81 47 K 7.56 4.15 0.00 1.79 1.88 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.65 7.81 48 C 8.38 4.85 0.00 2.94 3.08 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 49 V 7.09 3.94 1.18 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 0.57 0.00 0.00 0.59 0.00 0.00 50 E 8.36 4.23 0.00 2.07 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 2.22 2.20 0.00 51 S 6.93 4.53 0.00 3.95 3.83 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 0.00 0.00 0.00 52 V 8.42 4.21 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 0.90 0.00 0.00 1.01 0.00 0.00 53 N 8.69 4.92 0.00 2.70 2.80 0.00 0.00 6.93 8.06 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 54 D 7.86 5.03 0.00 2.73 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.51 4.75 0.00 4.01 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 56 N 8.01 5.08 0.00 2.85 2.73 0.00 0.00 7.11 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 57 L 8.32 4.54 0.00 1.65 1.62 0.96 0.94 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 58 S 9.37 4.46 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 59 S 8.44 4.21 0.00 4.07 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 0.00 60 Q 8.17 3.96 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.95 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 61 E 7.89 4.08 0.00 2.33 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 0.00 2.53 2.30 0.00 62 E 8.15 4.00 0.00 2.31 2.01 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 2.31 2.32 0.00 63 Q 7.95 4.00 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.64 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 64 C 8.20 4.16 0.00 3.14 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.75 3.94 0.00 2.06 1.72 0.97 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 66 S 7.80 4.20 0.00 4.11 4.09 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 67 N 8.24 4.20 0.00 2.97 2.93 0.00 0.00 6.64 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 C 8.53 4.11 0.00 3.11 3.33 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 0.00 69 V 7.37 3.26 1.95 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 0.52 0.00 0.00 0.95 0.00 0.00 70 N 7.99 4.24 0.00 2.93 2.82 0.00 0.00 6.69 7.59 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 71 R 8.52 3.84 0.00 2.12 1.96 0.00 3.13 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 72 F 8.36 3.68 0.00 3.33 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 73 L 8.02 4.08 0.00 1.87 1.70 0.83 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.33 4.38 0.00 2.83 2.70 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 75 T 7.77 3.75 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 1.00 0.00 0.00 76 N 8.00 4.27 0.00 3.00 2.96 0.00 0.00 7.11 6.93 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 77 I 7.61 3.68 1.87 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 1.42 0.90 0.91 0.00 0.00 78 R 8.06 3.88 0.00 2.06 2.00 0.00 3.13 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 79 I 8.08 3.69 2.08 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.52 0.91 0.00 0.00 80 V 8.04 3.64 2.09 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 0.89 0.00 0.00 0.94 0.00 0.00 81 N 8.63 4.36 0.00 2.81 2.91 0.00 0.00 6.92 7.28 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 82 G 8.02 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 0.00 0.00 0.00 83 L 7.87 4.19 0.00 1.81 1.74 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 84 Q 7.72 4.41 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 85 N 7.92 4.51 0.00 2.81 2.86 0.00 0.00 6.78 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *86 T 7.73 4.15 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.