NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 H 4.8440 8.3033 117.8416 55.5574 30.5098 173.6793 -3 T 3.6952 8.7310 119.1293 66.2417 68.1321 174.9570 -2 L 3.9305 8.0390 121.9836 57.9938 42.7060 178.2940 -1 K 3.9078 8.0775 119.0865 59.9367 32.1533 178.6899 0 T 3.8963 8.1961 115.7440 66.5911 68.3268 176.5420 1 A 4.0630 8.4174 123.1227 55.3985 18.4016 179.5040 2 N 4.3805 8.6040 115.2987 56.3088 38.6142 177.9349 3 S 4.1216 8.2255 116.6630 61.6758 62.9445 175.7749 4 Y 4.0461 8.0796 122.1266 61.3491 38.4257 178.3094 5 T 3.8606 8.4065 116.6865 66.9753 68.5772 176.2625 6 D 4.2886 8.2141 120.5238 57.2460 40.8421 179.0216 7 V 3.5101 7.6811 118.7164 66.2458 31.5410 178.1781 8 T 3.6335 7.5968 115.4836 66.5430 68.1676 176.8465 9 V 3.5137 7.9136 120.3177 65.9604 31.6762 177.9263 10 S 4.0426 8.0622 112.8741 61.6054 62.2048 175.9466 11 N 4.3434 8.1335 119.1291 56.1028 38.1431 177.2637 12 S 4.0297 7.9289 114.6127 61.6902 62.5580 176.0686 13 T 3.8384 7.9887 118.3448 66.7898 68.2919 176.4032 14 K 3.8795 7.7985 119.5106 59.5678 32.1356 179.3219 15 K 3.9389 8.2286 119.4481 59.3916 32.1439 178.7938 16 A 3.9979 8.4140 121.5779 55.1532 18.2342 179.7341 17 I 3.6828 7.8326 118.4113 64.3104 37.1802 178.6333 18 R 3.8611 8.0821 119.5161 59.5747 29.9986 178.4662 19 E 3.9905 8.2413 118.2908 59.4925 29.4732 179.4717 20 S 4.1321 8.5465 115.5409 61.8544 62.8601 176.6443 21 N 4.4219 8.4209 119.1538 56.3429 38.1975 177.5818 22 Q 3.9770 8.2323 119.6349 58.8161 28.6977 177.9579 23 Y 3.8988 8.0127 120.5729 61.1060 38.6376 178.3842 24 T 3.8575 7.8223 114.9853 66.7531 68.6328 175.9946 25 D 4.3775 8.1523 119.9390 57.7297 40.9262 178.3196 26 H 4.3808 7.9469 115.4424 58.6191 28.6935 178.3330 27 K 4.0157 7.5088 116.6828 57.3410 31.7087 177.7183 25 H 4.4675 8.2323 117.7390 58.5297 28.8262 176.1196 26 Q 3.9908 7.8469 117.0424 59.3191 29.0935 180.2330 27 L 4.0357 7.3788 118.0828 56.2409 41.0087 178.7183 32 E 4.1043 8.2735 118.0972 59.8032 29.4467 178.9417 33 N 4.2932 8.2144 115.5348 56.5821 38.4887 177.4641 34 R 3.9212 7.8189 118.6862 59.2206 30.2571 178.7744 35 L 3.9789 7.8428 119.6459 58.1081 42.2041 178.4887 36 D 4.3704 8.4848 119.3623 57.2981 40.8120 178.8777 37 K 3.9675 7.9022 118.4474 59.5772 31.9967 179.4584 38 L 4.0505 7.7770 119.3081 57.3107 41.3915 179.0090 39 E 3.8844 8.2010 119.5544 59.2625 29.6417 178.7446 40 K 3.8615 7.9207 119.4032 59.4623 32.1807 178.6418 41 R 3.8175 7.9140 118.6269 59.4005 30.0953 178.1618 42 L 3.9452 8.0099 118.8767 58.1402 41.7024 179.4704 43 L 4.0220 8.1507 118.7613 57.8869 41.5354 180.0158 44 K 3.9443 8.0124 118.0165 59.5735 32.0970 179.4770 45 L 4.0196 8.3209 119.6473 57.6705 41.4766 179.6153 46 L 3.9549 8.5885 119.0858 57.8559 41.5662 179.5043 47 A 4.1256 8.0635 120.9662 54.9705 18.2103 179.7083 48 S 4.2944 8.1652 112.9689 61.0301 63.2883 176.9182 49 S 4.0977 8.1151 118.0790 61.2855 62.5115 176.3468 50 A 3.9932 8.5586 124.6810 54.4935 18.0227 179.4702 51 A 3.9855 8.2452 121.1830 54.9151 18.5727 179.5110 52 L 3.9075 8.1285 117.5399 58.2363 41.4992 179.6904 53 N 4.3307 8.0562 115.2283 56.3380 38.5699 177.1895 54 S 4.2741 7.7045 114.8768 61.6752 62.7786 176.2080 55 L 4.0795 7.9656 124.0819 58.0167 41.5224 177.8706 *56 F 4.2354 8.1198 120.7105 56.9861 37.9078 177.1488 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 -4 H 8.30 4.84 0.00 3.22 3.27 0.00 5.62 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 T 8.73 3.70 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 1.21 0.00 0.00 -2 L 8.04 3.93 0.00 1.75 1.67 0.93 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 -1 K 8.08 3.91 0.00 1.89 1.93 0.00 1.79 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.56 7.81 0 T 8.20 3.90 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 1.23 0.00 0.00 1 A 8.42 4.06 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.60 4.38 0.00 2.79 2.89 0.00 0.00 7.04 7.60 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 3 S 8.23 4.12 0.00 4.17 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 4 Y 8.08 4.05 0.00 3.10 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 5 T 8.41 3.86 4.46 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 1.22 0.00 0.00 6 D 8.21 4.29 0.00 2.82 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.68 3.51 1.91 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 0.94 0.00 0.00 0.96 0.00 0.00 8 T 7.60 3.63 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 1.09 0.00 0.00 9 V 7.91 3.51 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 1.04 0.00 0.00 0.92 0.00 0.00 10 S 8.06 4.04 0.00 4.02 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 11 N 8.13 4.34 0.00 2.81 2.81 0.00 0.00 6.68 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 7.93 4.03 0.00 4.01 4.05 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 0.00 0.00 0.00 13 T 7.99 3.84 4.34 0.00 0.00 0.00 0.00 0.00 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 14 K 7.80 3.88 0.00 2.00 1.86 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.63 7.81 15 K 8.23 3.94 0.00 1.92 1.91 0.00 1.62 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 16 A 8.41 4.00 1.33 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 0.00 0.00 17 I 7.83 3.68 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.54 0.91 0.00 0.00 18 R 8.08 3.86 0.00 1.96 2.11 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 19 E 8.24 3.99 0.00 2.16 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 2.34 2.35 0.00 20 S 8.55 4.13 0.00 3.87 3.91 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 21 N 8.42 4.42 0.00 3.01 2.87 0.00 0.00 7.07 7.44 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 22 Q 8.23 3.98 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.68 0.00 23 Y 8.01 3.90 0.00 3.10 3.11 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 24 T 7.82 3.86 4.47 0.00 0.00 0.00 0.00 0.00 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 25 D 8.15 4.38 0.00 2.76 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 26 H 7.95 4.38 0.00 2.91 3.27 0.00 5.68 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.51 4.02 0.00 1.55 1.70 0.00 1.51 0.00 0.00 1.18 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.93 1.17 7.81 25 H 8.23 4.47 0.00 3.33 3.11 0.00 7.14 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 26 Q 7.85 3.99 0.00 1.74 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.58 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 27 L 7.38 4.04 0.00 1.33 1.57 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.27 4.10 0.00 2.24 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 2.42 2.44 0.00 33 N 8.21 4.29 0.00 2.96 2.87 0.00 0.00 7.10 7.66 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 34 R 7.82 3.92 0.00 2.06 1.97 0.00 3.12 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 35 L 7.84 3.98 0.00 1.95 1.82 0.92 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.48 4.37 0.00 2.91 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.90 3.97 0.00 1.98 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.48 7.81 38 L 7.78 4.05 0.00 1.63 1.71 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.20 3.88 0.00 2.14 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 0.00 2.31 2.37 0.00 40 K 7.92 3.86 0.00 2.09 1.90 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.45 7.81 41 R 7.91 3.82 0.00 1.95 1.90 0.00 3.16 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 42 L 8.01 3.95 0.00 1.96 1.72 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.15 4.02 0.00 1.71 1.73 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.01 3.94 0.00 2.00 1.85 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.62 7.81 45 L 8.32 4.02 0.00 1.64 1.71 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.59 3.95 0.00 1.85 1.71 0.92 0.86 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 47 A 8.06 4.13 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 48 S 8.17 4.29 0.00 4.09 4.13 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 0.00 0.00 0.00 0.00 49 S 8.12 4.10 0.00 4.10 4.15 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 0.00 50 A 8.56 3.99 1.38 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 0.00 0.00 0.00 51 A 8.25 3.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.13 3.91 0.00 1.85 1.76 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.06 4.33 0.00 2.84 2.88 0.00 0.00 7.09 7.13 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 54 S 7.70 4.27 0.00 4.06 4.12 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 55 L 7.97 4.08 0.00 1.80 1.75 0.97 0.71 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 *56 F 8.12 4.24 0.00 2.31 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.