NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2786 8.1127 120.8601 56.1674 31.3210 176.2081 2 M 3.8931 8.4603 123.5622 57.4440 32.2013 176.8352 3 K 4.0258 8.2186 119.8046 59.0641 32.8589 177.9153 4 Q 4.1305 8.0290 119.7113 59.6484 28.9267 177.2420 5 I 3.5982 7.6675 120.5467 64.1722 37.1471 177.4203 6 E 3.8662 8.3146 119.3139 59.9286 29.7209 178.9942 7 D 4.4185 8.5470 118.7557 57.9532 40.9592 179.5582 8 K 4.0166 8.1459 118.3215 59.4142 31.9469 179.3743 9 L 3.9880 8.1924 119.5978 57.8226 41.5015 179.2342 10 E 3.9681 8.0096 118.7785 59.0798 29.7136 178.4156 11 E 3.9326 8.1471 119.2908 59.2460 29.8348 178.7401 12 I 3.6720 7.8760 119.8281 64.4652 37.2614 177.8966 13 L 3.8904 8.2234 121.3923 58.4116 41.3229 178.8265 14 S 4.3012 8.1714 112.8256 61.5122 62.2659 176.3163 15 K 4.0208 7.9945 120.5202 59.5437 31.8007 179.0876 16 L 3.9566 7.7762 118.6671 58.1954 41.4405 179.2364 17 Y 4.1126 7.9712 116.4589 61.2694 37.7148 178.3479 18 H 4.2397 8.1468 118.4491 59.3215 30.0824 177.0929 19 I 3.6306 7.8520 121.6801 64.6874 37.0375 178.1177 20 E 3.9744 8.3233 119.0376 59.5001 29.3990 179.1499 21 N 4.3371 8.5077 116.7402 56.5391 38.6342 177.3234 22 E 3.9804 8.3322 120.0880 59.3147 29.4046 179.4926 23 L 4.0135 8.1260 118.9787 57.3198 41.7151 179.0696 24 A 3.9710 7.9195 120.6718 55.7491 18.3561 179.2054 25 R 3.7589 7.8285 115.0503 60.1671 29.9477 178.6929 26 A 4.0291 8.0483 120.6732 55.4895 18.5909 179.6111 27 K 4.0849 8.3161 117.0063 59.1403 32.0577 179.4478 28 K 3.8982 8.1374 119.9620 59.7062 31.9978 178.8106 29 L 4.0661 7.7174 117.4545 57.3437 41.4951 178.5311 30 L 4.4707 7.3536 117.1618 54.0881 41.7403 177.9517 31 G 4.0532 8.3079 115.8219 47.0625 0.0000 174.8283 *32 E 4.1319 8.0606 118.7357 55.9709 30.4399 178.2686 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 R 8.11 4.28 0.00 1.90 1.86 0.00 3.20 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 2 M 8.46 3.89 0.00 2.25 2.04 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.72 0.00 3 K 8.22 4.03 0.00 1.86 1.78 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.49 7.81 4 Q 8.03 4.13 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.61 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 5 I 7.67 3.60 2.04 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 0.59 0.91 0.00 0.00 6 E 8.31 3.87 0.00 2.16 2.06 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 2.33 2.40 0.00 7 D 8.55 4.42 0.00 2.90 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.15 4.02 0.00 1.91 1.86 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.78 1.63 7.81 9 L 8.19 3.99 0.00 1.84 1.73 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.01 3.97 0.00 2.27 2.08 0.00 0.00 0.00 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 11 E 8.15 3.93 0.00 2.12 2.08 0.00 0.00 0.00 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 2.36 0.00 12 I 7.88 3.67 2.02 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 0.95 0.90 0.00 0.00 13 L 8.22 3.89 0.00 1.92 1.93 0.72 0.81 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 S 8.17 4.30 0.00 4.16 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.99 4.02 0.00 1.96 1.88 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.74 1.65 7.81 16 L 7.78 3.96 0.00 1.72 1.58 0.85 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 7.97 4.11 0.00 3.21 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.15 4.24 0.00 3.31 3.54 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 19 I 7.85 3.63 2.03 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 1.52 0.83 0.89 0.00 0.00 20 E 8.32 3.97 0.00 2.26 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 21 N 8.51 4.34 0.00 2.86 2.87 0.00 0.00 7.06 7.85 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 22 E 8.33 3.98 0.00 2.12 1.95 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 2.18 2.05 0.00 23 L 8.13 4.01 0.00 2.03 1.70 0.91 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.92 3.97 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 25 R 7.83 3.76 0.00 2.07 1.98 0.00 3.15 0.00 0.00 3.17 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 26 A 8.05 4.03 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.32 4.08 0.00 1.81 1.86 0.00 1.67 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.44 7.81 28 K 8.14 3.90 0.00 1.83 2.10 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.49 7.81 29 L 7.72 4.07 0.00 1.84 1.74 0.92 0.94 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 30 L 7.35 4.47 0.00 1.72 1.68 0.92 0.98 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 31 G 8.31 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 *32 E 8.06 4.13 0.00 1.75 1.78 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.