NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4477 8.3049 120.3284 55.5125 32.8349 178.4182 2 K 4.2315 8.3663 123.5216 54.6012 31.5849 174.0427 3 R 4.1756 8.2332 122.6500 55.6616 32.0631 176.6114 4 T 3.8975 8.7085 113.6713 65.0268 67.0414 173.7633 5 W 4.5501 8.1566 132.2025 56.6877 30.3416 175.5505 6 Q 4.1870 7.3966 125.9056 52.4779 28.4373 172.3840 7 P 3.3698 0.0000 0.0000 61.5358 32.3834 176.2066 8 N 4.5166 8.0727 118.2367 52.0404 42.0384 174.7690 9 R 3.9510 8.6199 128.4639 59.0482 30.3037 178.4863 10 R 3.7281 8.0117 117.7491 60.4021 29.8428 177.4577 11 K 3.9818 8.3726 118.7085 57.7188 31.9206 178.1344 12 R 4.2326 8.1401 117.8123 59.9314 30.5365 178.4760 13 A 4.0897 8.9322 120.8610 54.9372 18.0403 179.4620 14 K 4.0644 7.9882 115.9781 59.2967 32.7373 179.2696 15 T 4.0548 8.8587 116.0321 66.0888 68.4323 174.8893 16 H 4.7587 8.3223 113.7359 54.3223 31.4289 172.7286 17 G 4.2795 8.8324 108.7209 46.1962 0.0000 176.8067 18 F 3.0135 9.0402 124.7539 57.2510 42.8146 179.0067 19 R 3.5358 8.4212 118.8503 58.8929 31.0491 178.0023 20 A 3.9361 8.9671 121.2933 55.7923 17.9751 179.8157 21 R 3.8687 8.4882 116.1262 59.5492 29.8617 179.3260 22 M 3.9102 7.3433 116.9373 58.3692 32.1248 178.1708 23 R 3.9970 7.7467 116.9040 58.8516 30.7615 177.3807 24 T 4.0569 6.7695 110.7775 60.8894 68.1288 172.7387 25 P 4.4164 0.0000 0.0000 66.3826 31.3367 178.8404 26 G 3.8336 8.0043 105.5194 45.7673 0.0000 175.4327 27 G 3.7250 7.9086 109.6952 47.0255 0.0000 176.1958 28 R 3.9292 7.9288 120.1031 59.1833 29.9761 178.9274 29 K 3.9932 7.8339 117.9048 59.6922 31.4950 178.7562 30 V 3.6526 7.6454 111.7425 64.6234 31.5443 178.2355 31 L 4.0268 7.2939 118.5222 58.8780 41.6033 178.9009 32 K 3.6701 8.8639 117.8241 59.7588 31.9415 178.2935 33 R 3.8982 9.3867 119.6274 60.2667 30.4349 177.6163 34 R 4.1806 9.8316 119.7755 57.2882 29.7892 178.9313 35 R 3.8000 8.3614 117.0654 59.8226 30.3445 177.5531 36 Q 3.6920 8.2104 114.9649 60.3281 28.8611 177.6518 37 K 3.8053 7.7838 125.3334 57.8296 33.3952 176.8275 38 G 3.7594 8.5192 105.6602 46.2691 0.0000 172.6141 39 R 4.3385 7.7119 116.7788 55.9584 31.4617 176.9175 40 W 4.8919 8.6276 116.5366 57.5196 29.9989 177.5325 41 R 4.6393 7.5737 116.3991 53.4742 29.8749 174.2381 42 L 3.8521 7.9465 119.0231 58.6661 42.5147 177.4782 43 T 4.0577 7.7572 113.2697 61.2768 67.9954 172.7720 44 P 4.2971 0.0000 0.0000 62.3938 31.9739 176.1845 45 A 4.1753 8.5107 125.0229 51.9944 18.9721 176.3186 46 V 4.7655 7.2374 119.3526 60.2803 31.7663 170.2184 47 R 4.7052 7.8141 118.0521 54.5794 32.2319 173.8208 48 K 4.5217 8.2762 120.0359 55.7094 36.0373 177.0272 *49 R 4.1254 8.4088 115.8915 56.5287 30.0213 173.1978 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 1 M 8.30 4.45 0.00 2.03 1.67 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.58 0.00 2 K 8.37 4.23 0.00 1.79 1.74 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.53 7.81 3 R 8.23 4.18 0.00 1.85 1.94 0.00 3.42 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 4 T 8.71 3.90 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 1.30 0.00 0.00 5 W 8.16 4.55 0.00 3.39 3.01 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 0.00 0.00 0.00 6 Q 7.40 4.19 0.00 1.81 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.44 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 7 P 0.00 3.37 0.00 1.94 2.01 0.00 3.46 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.23 0.00 8 N 8.07 4.52 0.00 2.59 2.48 0.00 0.00 7.22 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.62 3.95 0.00 1.90 1.93 0.00 3.22 0.00 0.00 3.28 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.70 0.00 10 R 8.01 3.73 0.00 1.87 1.95 0.00 3.19 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 11 K 8.37 3.98 0.00 2.00 1.79 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.57 7.81 12 R 8.14 4.23 0.00 2.14 2.07 0.00 3.45 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.85 0.00 13 A 8.93 4.09 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.99 4.06 0.00 2.03 1.87 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.57 7.81 15 T 8.86 4.05 4.27 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 0.97 0.00 0.00 16 H 8.32 4.76 0.00 3.13 3.30 0.00 5.69 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 17 G 8.83 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 0.00 0.00 0.00 0.00 18 F 9.04 3.01 0.00 3.20 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.42 3.54 0.00 1.96 1.94 0.00 3.31 0.00 0.00 3.41 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.90 0.00 20 A 8.97 3.94 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 21 R 8.49 3.87 0.00 1.57 2.14 0.00 3.28 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.80 0.00 22 M 7.34 3.91 0.00 1.84 2.05 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.54 0.00 23 R 7.75 4.00 0.00 1.87 1.99 0.00 3.14 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 24 T 6.77 4.06 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 1.26 0.00 0.00 25 P 0.00 4.42 0.00 2.29 2.25 0.00 3.73 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 26 G 8.00 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 0.00 0.00 0.00 27 G 7.91 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 7.93 3.93 0.00 2.04 1.95 0.00 3.14 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.99 0.00 29 K 7.83 3.99 0.00 1.88 1.87 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.53 7.81 30 V 7.65 3.65 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 0.87 0.00 0.00 0.97 0.00 0.00 31 L 7.29 4.03 0.00 1.89 1.78 0.66 0.74 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 32 K 8.86 3.67 0.00 1.77 1.87 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.52 7.81 33 R 9.39 3.90 0.00 1.95 2.01 0.00 3.18 0.00 0.00 3.10 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 34 R 9.83 4.18 0.00 2.18 1.83 0.00 3.17 0.00 0.00 3.22 8.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 35 R 8.36 3.80 0.00 1.96 1.98 0.00 3.25 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.92 0.00 36 Q 8.21 3.69 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 37 K 7.78 3.81 0.00 1.80 1.87 0.00 1.91 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.49 1.43 7.81 38 G 8.52 3.76 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 0.00 0.00 0.00 39 R 7.71 4.34 0.00 1.90 2.06 0.00 3.22 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 40 W 8.63 4.89 0.00 3.21 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.57 4.64 0.00 1.78 2.03 0.00 3.27 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 42 L 7.95 3.85 0.00 1.77 1.80 1.03 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.76 4.06 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 1.27 0.00 0.00 44 P 0.00 4.30 0.00 2.09 1.97 0.00 3.81 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 45 A 8.51 4.18 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 46 V 7.24 4.77 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.99 0.00 0.00 47 R 7.81 4.71 0.00 1.89 1.90 0.00 2.99 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 48 K 8.28 4.52 0.00 1.84 1.82 0.00 1.65 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.30 1.35 7.81 *49 R 8.41 4.13 0.00 1.60 1.79 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.