NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 H 4.7582 8.4449 116.3279 55.6570 29.7850 173.4044 7 H 4.2767 7.6611 116.0803 55.3585 30.1865 174.4118 8 H 3.9934 9.5175 123.5462 56.7370 31.0635 174.0527 *50 E 4.4222 8.6860 123.9734 55.7043 29.3061 173.8810 51 P 4.5140 0.0000 0.0000 62.2582 32.4217 176.1470 52 G 4.0655 8.3899 106.5058 45.9769 0.0000 173.8450 53 D 4.9430 7.6665 122.6972 51.9127 41.5473 176.7096 54 L 4.0455 8.5070 116.0723 58.1415 42.2129 179.4265 55 R 4.0057 8.4195 117.8183 59.0167 30.1287 178.2436 56 H 4.1244 8.2657 117.1559 58.5561 29.7907 175.3016 57 D 4.8013 7.9816 116.6591 53.8235 41.2521 175.9365 58 L 4.9188 7.4970 118.9760 52.5370 44.6066 176.6926 59 N 4.7503 9.3889 120.5631 51.8256 40.2923 176.0517 60 Q 3.9361 8.4409 119.8686 59.4182 28.9812 177.7986 61 Q 3.9837 8.0119 120.0672 59.1330 29.1743 177.8683 62 E 3.9720 8.1071 119.0732 59.4468 29.5666 179.1738 63 R 3.9421 8.3090 118.1427 59.3809 30.2195 178.7794 64 A 3.9880 8.4298 120.6598 55.5744 18.3163 179.6984 65 T 3.8155 8.0841 114.0554 66.9541 68.5424 176.8140 66 L 4.2440 8.1953 121.0307 57.8344 41.5695 179.7052 67 S 4.1222 8.3858 114.4017 61.6239 62.8377 176.7689 68 S 3.9760 8.1555 118.6704 61.2131 62.5399 176.3675 69 N 3.4482 7.9122 119.0816 55.9338 38.2429 177.4349 70 V 3.3518 7.3003 119.4610 65.9720 31.3557 177.6749 71 Q 3.8152 7.8152 117.9773 59.2701 28.9543 178.0939 72 R 3.9714 7.4753 118.1817 59.4001 30.3927 177.9483 73 F 4.7060 8.1578 118.0409 60.5959 38.3076 177.8129 74 F 4.3453 8.2932 118.1401 58.1963 38.6446 176.0535 *76 I 4.0301 7.6047 108.0535 59.7194 38.8449 175.8860 77 G 3.7771 8.0463 107.7296 46.2258 0.0000 173.2014 78 H 4.5634 8.1636 118.6272 55.4868 31.2192 176.0757 79 G 3.6093 8.2010 111.4259 44.3899 0.0000 171.9404 80 S 4.5467 8.4037 112.6161 56.2877 65.5371 173.2129 81 L 5.4241 8.8263 129.4388 53.8321 43.4436 175.0148 82 T 4.8250 9.0215 116.2197 59.6932 72.8307 172.6601 83 A 4.9310 8.4955 123.8478 50.3720 20.0049 175.6621 84 D 4.6807 9.9286 123.9162 54.7494 39.4246 177.1640 85 A 4.3587 7.3310 116.5458 53.4956 19.4805 179.4769 86 G 4.0484 7.9383 103.0131 46.2929 0.0000 174.0535 87 G 3.8844 7.4976 112.5091 44.8916 0.0000 171.9981 88 L 4.9844 8.5230 124.3151 53.3077 44.2388 175.7616 89 T 4.7403 9.2611 118.2751 61.9668 72.4507 172.1509 90 Y 5.2914 8.7482 126.8136 56.1512 41.6049 174.0340 91 T 4.7201 8.1022 120.4985 60.2587 71.0832 172.7549 92 V 4.6921 8.1996 126.0985 60.3974 34.4986 174.1300 93 S 5.0958 8.3679 118.4646 56.8494 65.8952 173.2892 94 W 4.6206 8.2346 118.1221 55.9613 29.9975 173.7620 95 V 3.9390 8.4045 119.9740 60.6552 31.5403 174.1735 96 P 4.8139 0.0000 0.0000 62.1436 32.2815 176.3292 97 T 4.0120 8.5389 112.8229 62.1119 68.9650 174.1358 98 K 3.8207 8.7420 126.1686 60.2017 31.7582 178.6848 99 Q 4.0326 8.1712 117.2846 59.1417 28.5265 179.0511 100 I 3.7798 7.6512 120.0220 64.0192 37.4394 177.5823 101 Q 3.9066 8.3360 120.9029 59.5576 28.5538 178.8508 102 R 3.9007 8.0334 117.7078 59.5632 30.2359 178.7533 103 K 4.1298 7.3231 116.0925 59.4336 32.2553 179.3745 104 V 3.9402 7.9189 109.6698 61.9546 31.8410 176.1842 105 A 4.2744 8.2545 127.2035 52.1562 19.1038 175.6650 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 6 H 8.44 4.76 0.00 3.27 3.40 0.00 5.52 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 H 7.66 4.28 0.00 3.28 3.26 0.00 5.71 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 8 H 9.52 3.99 0.00 3.22 3.23 0.00 5.89 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *50 E 8.69 4.42 0.00 1.98 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 2.39 2.21 0.00 51 P 0.00 4.51 0.00 2.20 2.10 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 52 G 8.39 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 0.00 0.00 0.00 0.00 53 D 7.67 4.94 0.00 2.87 2.82 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 0.00 0.00 0.00 0.00 54 L 8.51 4.05 0.00 1.71 1.74 0.84 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.42 4.01 0.00 2.05 2.01 0.00 3.17 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 56 H 8.27 4.12 0.00 3.29 3.50 0.00 5.73 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 D 7.98 4.80 0.00 2.81 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 L 7.50 4.92 0.00 1.64 1.55 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 59 N 9.39 4.75 0.00 2.90 2.97 0.00 0.00 6.69 7.54 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 60 Q 8.44 3.94 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 61 Q 8.01 3.98 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 62 E 8.11 3.97 0.00 2.29 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 2.42 0.00 63 R 8.31 3.94 0.00 2.02 2.01 0.00 3.15 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.79 0.00 64 A 8.43 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.08 3.82 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 1.25 0.00 0.00 66 L 8.20 4.24 0.00 2.00 2.10 1.02 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.39 4.12 0.00 4.03 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 0.00 68 S 8.16 3.98 0.00 3.98 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 7.91 3.45 0.00 2.30 1.43 0.00 0.00 6.65 7.24 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 70 V 7.30 3.35 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 1.13 0.00 0.00 0.87 0.00 0.00 71 Q 7.82 3.82 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 72 R 7.48 3.97 0.00 1.68 1.79 0.00 3.32 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 73 F 8.16 4.71 0.00 2.98 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 74 F 8.29 4.35 0.00 2.92 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 *76 I 7.60 4.03 1.91 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.82 0.96 0.00 0.00 77 G 8.05 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 0.00 0.00 0.00 78 H 8.16 4.56 0.00 3.02 3.18 0.00 6.00 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 79 G 8.20 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 0.00 0.00 0.00 80 S 8.40 4.55 0.00 3.73 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.83 5.42 0.00 1.87 1.59 1.29 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 82 T 9.02 4.82 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 1.22 0.00 0.00 83 A 8.50 4.93 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 D 9.93 4.68 0.00 2.50 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 7.33 4.36 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 86 G 7.94 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 0.00 0.00 0.00 87 G 7.50 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 0.00 0.00 0.00 88 L 8.52 4.98 0.00 1.58 1.68 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 89 T 9.26 4.74 4.28 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 0.00 0.00 0.00 1.25 0.00 0.00 90 Y 8.75 5.29 0.00 3.25 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 91 T 8.10 4.72 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 1.10 0.00 0.00 92 V 8.20 4.69 1.85 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 0.94 0.00 0.00 0.98 0.00 0.00 93 S 8.37 5.10 0.00 3.88 3.82 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 0.00 0.00 0.00 0.00 94 W 8.23 4.62 0.00 3.25 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 95 V 8.40 3.94 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 0.85 0.00 0.00 0.93 0.00 0.00 96 P 0.00 4.81 0.00 2.28 2.06 0.00 3.71 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.76 0.00 97 T 8.54 4.01 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 1.27 0.00 0.00 98 K 8.74 3.82 0.00 1.92 1.84 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.53 1.64 7.81 99 Q 8.17 4.03 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.70 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 100 I 7.65 3.78 2.02 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.74 0.92 0.00 0.00 101 Q 8.34 3.91 0.00 2.31 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.66 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 102 R 8.03 3.90 0.00 1.98 2.02 0.00 3.22 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.92 0.00 103 K 7.32 4.13 0.00 1.70 1.86 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.80 7.81 104 V 7.92 3.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.91 0.00 0.00 105 A 8.25 4.27 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.