NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 52 N 4.6379 8.5245 119.2096 53.3878 40.3171 174.9755 53 K 4.0372 8.3634 121.5563 56.8183 32.4446 176.8559 54 K 3.9010 8.4526 119.3203 59.6063 32.8239 178.5921 55 V 3.5885 7.9408 117.5641 66.2849 31.2957 178.1378 56 V 3.6769 8.2347 120.5058 66.6258 31.3989 178.2003 57 D 4.4079 8.1792 120.2216 58.5572 39.5927 180.2982 58 A 4.2019 8.3851 122.6326 55.0984 18.1124 179.7878 59 Q 4.2858 8.6974 119.2752 59.2066 28.7839 179.8306 60 K 3.9717 8.0484 124.7115 59.3471 32.0912 183.5722 61 A 4.2645 8.0637 122.2263 54.9165 18.2358 179.9620 62 V 3.8006 8.5432 119.8466 66.5741 31.5462 178.8891 63 E 4.1078 7.9118 120.5717 61.6232 29.5445 182.7936 64 L 4.2733 7.8980 123.1942 59.2988 40.8414 181.1131 65 F 4.5231 8.4802 123.7484 61.8814 39.1209 178.1581 66 K 3.8193 8.0421 125.0007 60.3541 31.4972 181.5238 67 R 4.3417 7.8683 120.3363 61.2067 29.5570 181.7713 68 T 4.1179 8.7655 117.4186 65.7677 70.1587 175.3446 69 R 3.4578 8.1354 118.1835 57.6763 28.0717 174.0662 70 T 5.2583 8.3079 107.9672 59.2624 72.8414 175.6315 71 V 3.5855 8.4894 118.9723 66.2786 31.4059 177.5228 72 A 4.0224 8.0829 120.3006 55.6130 18.1109 179.5877 73 T 3.9305 8.2521 107.9197 64.6909 68.7647 176.5324 74 H 2.6514 7.9434 121.0874 58.9305 29.9799 177.1759 75 R 3.5789 7.8437 119.7977 59.4427 29.8791 179.2545 76 K 3.9682 7.7665 117.9246 58.9840 31.9230 179.4474 77 A 3.8715 7.4367 121.1671 54.9096 18.3293 179.2898 78 Q 3.7084 8.3172 118.7735 59.3943 28.8994 178.4250 79 R 3.7742 7.6278 117.8580 59.3544 30.3998 177.9073 80 A 4.0948 7.8465 120.3412 55.3315 17.9235 179.7490 81 V 3.5426 7.9395 116.8759 66.2558 31.3461 177.7473 82 N 4.4807 8.2199 114.7843 55.1611 38.5091 176.4248 83 L 4.5660 7.4459 118.7115 54.6240 41.4147 177.2837 84 I 3.9501 7.4431 122.3315 61.6710 35.5692 176.6398 *85 H 4.2422 8.7210 122.8765 57.2724 28.1851 174.1499 86 F 4.7475 7.7169 119.9229 57.7539 37.4218 175.2350 87 Q 3.8538 8.3677 126.6810 58.7365 28.6993 177.7094 88 H 4.2815 6.4957 112.0991 55.5840 29.0020 175.4655 89 S 4.3161 7.2307 116.3962 58.2064 62.8923 174.0250 90 Y 4.1128 8.7956 130.5038 60.7037 38.6841 177.5568 91 E 3.9163 8.3118 119.2749 59.2411 29.6578 178.8346 92 K 3.9259 7.8990 121.8710 60.1769 32.1818 179.6226 93 K 3.8912 7.6375 123.4613 59.5351 31.3264 180.8654 94 K 3.8985 8.3183 121.6196 59.3442 32.1429 178.9051 95 L 4.1070 8.4431 119.5587 57.5487 41.5658 179.1701 96 Q 3.9666 7.9402 119.7958 58.8260 28.8326 178.1856 97 R 3.8096 7.9432 119.8955 59.4834 30.1421 178.3150 98 Q 4.0073 7.6363 116.4753 59.1473 28.7304 179.0596 99 I 4.0378 7.6451 120.0290 64.8214 37.1860 178.1249 100 D 4.3641 8.0366 119.3528 57.2949 40.7303 178.8987 101 L 3.7475 8.0805 119.6569 57.7280 41.8374 179.6650 102 V 3.5388 8.0011 120.3950 66.6653 31.2292 178.4084 103 L 4.1828 8.4790 123.2766 60.1418 40.7299 181.7140 104 K 4.2402 8.3181 123.7084 59.4343 31.6452 180.1455 105 Y 5.1485 7.0608 114.8768 56.5444 38.7878 175.2225 106 N 4.9344 7.3030 115.1354 52.2304 42.8089 174.9554 107 T 4.3413 8.2369 119.0654 61.6926 67.9912 174.7896 108 L 4.1559 8.3605 128.6873 56.2250 42.4483 178.6339 109 K 4.2626 8.3746 121.6949 55.2684 32.1775 176.1941 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 52 N 8.52 4.64 0.00 2.71 2.85 0.00 0.00 6.89 5.80 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 53 K 8.36 4.04 0.00 1.80 1.78 0.00 1.88 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.42 1.09 7.81 54 K 8.45 3.90 0.00 1.77 1.93 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.50 7.81 55 V 7.94 3.59 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.99 0.00 0.00 56 V 8.23 3.68 2.22 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 0.94 0.00 0.00 0.95 0.00 0.00 57 D 8.18 4.41 0.00 2.72 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 58 A 8.39 4.20 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 59 Q 8.70 4.29 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 60 K 8.05 3.97 0.00 1.78 1.80 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.32 7.81 61 A 8.06 4.26 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 62 V 8.54 3.80 2.21 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 1.05 0.00 0.00 0.98 0.00 0.00 63 E 7.91 4.11 0.00 2.05 1.94 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 2.24 2.19 0.00 64 L 7.90 4.27 0.00 1.68 1.71 0.92 0.75 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 65 F 8.48 4.52 0.00 3.27 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.04 3.82 0.00 1.92 1.71 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.39 1.32 7.81 67 R 7.87 4.34 0.00 1.91 1.80 0.00 3.25 0.00 0.00 3.22 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 68 T 8.77 4.12 4.33 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 1.25 0.00 0.00 69 R 8.14 3.46 0.00 1.89 1.79 0.00 2.94 0.00 0.00 3.07 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.44 0.00 70 T 8.31 5.26 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 1.28 0.00 0.00 71 V 8.49 3.59 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 1.06 0.00 0.00 0.97 0.00 0.00 72 A 8.08 4.02 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 73 T 8.25 3.93 4.54 0.00 0.00 0.00 0.00 0.00 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 74 H 7.94 2.65 0.00 3.21 3.43 0.00 5.80 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.84 3.58 0.00 1.83 1.90 0.00 3.16 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.90 0.00 76 K 7.77 3.97 0.00 1.67 1.81 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.57 1.58 7.81 77 A 7.44 3.87 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 78 Q 8.32 3.71 0.00 1.72 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.71 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 79 R 7.63 3.77 0.00 1.89 1.89 0.00 3.28 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 80 A 7.85 4.09 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 81 V 7.94 3.54 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 1.11 0.00 0.00 0.92 0.00 0.00 82 N 8.22 4.48 0.00 2.91 2.83 0.00 0.00 7.05 8.23 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 83 L 7.45 4.57 0.00 1.75 1.71 0.91 0.79 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 84 I 7.44 3.95 1.96 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 1.18 1.08 0.98 0.00 0.00 *85 H 8.72 4.24 0.00 2.93 3.00 0.00 7.20 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 F 7.72 4.75 0.00 2.97 3.06 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 87 Q 8.37 3.85 0.00 1.76 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.94 0.00 0.00 0.00 0.00 0.00 2.41 2.25 0.00 88 H 6.50 4.28 0.00 1.99 3.05 0.00 5.70 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 S 7.23 4.32 0.00 4.19 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 8.80 4.11 0.00 3.08 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 91 E 8.31 3.92 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.39 0.00 92 K 7.90 3.93 0.00 1.79 2.02 0.00 1.58 0.00 0.00 1.59 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.57 7.81 93 K 7.64 3.89 0.00 1.78 1.79 0.00 1.87 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.31 7.81 94 K 8.32 3.90 0.00 1.49 1.82 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.37 7.81 95 L 8.44 4.11 0.00 1.78 1.69 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 96 Q 7.94 3.97 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.53 0.00 97 R 7.94 3.81 0.00 1.87 2.05 0.00 3.13 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 98 Q 7.64 4.01 0.00 2.37 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.55 0.00 0.00 0.00 0.00 0.00 2.53 2.58 0.00 99 I 7.65 4.04 2.05 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.97 0.96 0.00 0.00 100 D 8.04 4.36 0.00 2.84 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 0.00 101 L 8.08 3.75 0.00 1.85 1.73 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 102 V 8.00 3.54 2.17 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 0.21 0.00 0.00 0.77 0.00 0.00 103 L 8.48 4.18 0.00 1.74 1.59 0.92 0.95 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 0.00 104 K 8.32 4.24 0.00 1.80 1.76 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.35 7.81 105 Y 7.06 5.15 0.00 2.99 2.83 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 0.00 106 N 7.30 4.93 0.00 3.00 2.62 0.00 0.00 6.81 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 T 8.24 4.34 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 1.22 0.00 0.00 108 L 8.36 4.16 0.00 1.69 1.75 1.21 0.92 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 0.00 109 K 8.37 4.26 0.00 1.97 1.66 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.28 1.24 7.81 * Residues marked with a * may have inaccurate shift predictions.