NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0050 8.2127 109.7435 45.6006 0.0000 173.8584 2 I 3.3492 8.2790 117.7320 63.0300 37.8307 173.9257 3 V 3.6019 8.3961 120.0235 66.0936 31.7101 177.3219 4 E 3.9733 8.0240 116.4523 59.4211 29.4436 178.6088 5 Q 4.1760 8.1631 118.6479 58.2213 29.3402 176.2625 6 C 5.0919 8.7330 116.5879 56.1027 41.3026 173.9737 7 C 4.2997 8.1430 117.7316 59.9133 28.7840 174.4272 8 T 4.4036 7.8327 108.6928 62.1489 69.8930 174.6302 9 S 4.6709 7.4421 114.6608 56.2606 66.0972 172.8861 10 I 3.9506 8.2077 122.6964 61.3618 37.4603 176.3271 11 C 4.9083 8.5695 123.1447 55.5078 40.3855 173.9339 12 S 4.5735 9.2302 119.4995 57.2933 63.9945 175.2489 13 L 4.1746 8.4860 122.5116 58.3945 40.9241 179.9199 *14 Y 4.1014 7.2532 120.0707 61.7621 36.9276 182.5914 15 Q 4.4070 8.1496 118.5205 58.8588 28.8565 178.5302 16 L 4.3125 7.9072 119.9027 57.6173 41.6852 178.5960 17 E 4.0614 8.1657 118.5573 58.9120 29.2291 178.4464 18 N 4.3536 7.7302 114.0169 55.6938 38.6333 175.1627 19 Y 4.5047 7.8301 115.8298 57.9179 38.5736 175.7620 20 C 4.4140 7.6004 118.7335 59.6039 28.9146 173.4506 21 N 4.5469 8.5863 118.7075 53.0745 37.2157 174.8843 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 G 8.21 4.01 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 0.00 0.00 0.00 2 I 8.28 3.35 0.97 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.75 0.71 0.00 0.00 3 V 8.40 3.60 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.89 0.00 0.00 4 E 8.02 3.97 0.00 1.97 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 2.32 2.43 0.00 5 Q 8.16 4.18 0.00 2.09 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.73 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 6 C 8.73 5.09 0.00 2.91 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.14 4.30 0.00 3.17 2.95 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 8 T 7.83 4.40 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 1.24 0.00 0.00 9 S 7.44 4.67 0.00 3.96 3.94 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 10 I 8.21 3.95 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.53 0.91 0.00 0.00 11 C 8.57 4.91 0.00 2.96 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 9.23 4.57 0.00 3.97 4.01 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 13 L 8.49 4.17 0.00 1.72 1.78 0.93 0.85 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 *14 Y 7.25 4.10 0.00 2.25 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 0.00 0.00 0.00 0.00 15 Q 8.15 4.41 0.00 2.30 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 16 L 7.91 4.31 0.00 1.91 1.77 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.17 4.06 0.00 2.23 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 18 N 7.73 4.35 0.00 2.67 2.43 0.00 0.00 6.93 7.34 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 19 Y 7.83 4.50 0.00 2.93 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 C 7.60 4.41 0.00 3.01 2.88 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 21 N 8.59 4.55 0.00 2.83 2.81 0.00 0.00 5.93 7.56 0.00 0.00 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.