NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8383 8.2133 109.7202 45.3811 0.0000 174.3470 3 K 3.7068 8.5325 119.5876 57.4543 31.8385 175.7059 4 G 3.5145 7.5851 107.0985 45.3601 0.0000 173.3326 5 D 4.4571 8.2843 120.7051 53.0400 39.9905 176.5853 6 R 3.9384 8.4025 126.4535 59.1403 30.2749 177.5986 7 R 3.6549 7.6475 115.8342 56.1324 30.4413 176.3391 8 T 4.6969 7.3128 106.6629 59.1910 73.3718 172.6678 9 R 4.0263 8.6832 120.0221 60.2142 29.9154 178.3701 10 R 4.1538 8.0848 117.0081 59.1632 30.1743 179.0777 11 G 4.2629 7.8991 106.5617 47.2232 0.0000 175.8636 12 K 3.9963 8.1398 121.1985 59.0915 32.0636 179.2626 13 I 3.6021 8.1077 120.4967 64.2798 36.8639 178.0136 14 W 4.1128 8.5481 127.5619 60.6618 30.6436 177.5251 15 R 4.2114 8.1476 114.0321 55.4614 29.4472 176.5961 16 G 3.8554 7.6846 106.4369 46.3234 0.0000 173.8467 17 T 4.3682 7.2201 109.6368 60.0962 71.0718 172.4366 18 Y 4.9572 8.7877 117.8132 56.3813 42.4069 174.5736 19 G 3.9243 8.9353 106.5036 45.3475 0.0000 172.2342 20 K 3.6501 8.5071 120.4504 60.2387 31.8251 178.1726 21 Y 4.2256 7.8068 112.5166 59.0555 37.9720 176.6196 22 R 4.4657 8.1463 118.7952 55.4727 31.6417 171.9440 23 P 4.8790 0.0000 0.0000 61.6861 32.6098 176.5641 24 R 3.7283 8.0203 118.3538 56.2748 29.8392 177.6681 25 K 3.7412 7.7455 120.7288 56.0668 31.1918 177.4084 *26 K 4.1215 8.4023 119.4191 55.2943 32.3269 171.7625 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 2 G 8.21 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 0.00 0.00 0.00 3 K 8.53 3.71 0.00 1.26 1.00 0.00 1.61 0.00 0.00 1.88 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.40 7.81 4 G 7.59 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.28 4.46 0.00 2.62 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.40 3.94 0.00 1.80 1.99 0.00 3.27 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 7 R 7.65 3.65 0.00 1.52 0.83 0.00 2.92 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.42 0.00 8 T 7.31 4.70 4.22 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 0.00 0.00 0.00 1.18 0.00 0.00 9 R 8.68 4.03 0.00 1.99 1.98 0.00 3.49 0.00 0.00 3.40 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.85 0.00 10 R 8.08 4.15 0.00 1.89 2.00 0.00 3.19 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 11 G 7.90 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 0.00 0.00 0.00 0.00 12 K 8.14 4.00 0.00 2.20 1.94 0.00 1.62 0.00 0.00 1.94 0.00 0.00 3.30 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.56 1.55 7.81 13 I 8.11 3.60 2.05 0.00 0.00 0.89 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 0.96 0.92 0.00 0.00 14 W 8.55 4.11 0.00 3.31 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.15 4.21 0.00 1.90 1.99 0.00 3.50 0.00 0.00 3.32 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.20 0.00 16 G 7.68 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.22 4.37 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 1.25 0.00 0.00 18 Y 8.79 4.96 0.00 2.95 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 19 G 8.94 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.51 3.65 0.00 1.59 1.62 0.00 1.61 0.00 0.00 1.28 0.00 0.00 2.64 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.62 1.22 7.81 21 Y 7.81 4.23 0.00 3.08 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 22 R 8.15 4.47 0.00 1.87 1.89 0.00 3.02 0.00 0.00 3.18 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 23 P 0.00 4.88 0.00 2.08 1.94 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.28 0.00 24 R 8.02 3.73 0.00 1.56 1.58 0.00 3.12 0.00 0.00 2.97 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.02 0.00 25 K 7.75 3.74 0.00 1.87 1.87 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.42 7.81 *26 K 8.40 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.