NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3516 8.1133 119.7065 56.5168 32.4734 177.5040 2 M 3.8476 7.9515 117.2221 57.2078 31.7724 177.1141 3 K 3.9352 8.7574 120.9851 59.5853 33.0987 178.2616 4 Q 4.0313 8.1346 117.8472 59.1234 28.6039 178.9862 5 I 3.6937 8.0002 120.8068 64.5159 36.8567 178.1898 6 E 4.0135 8.1673 119.8237 58.9962 29.4598 178.3239 7 D 4.4272 7.8622 118.5703 56.5931 41.1035 178.4971 8 K 4.0546 7.9986 119.7763 59.0628 32.2022 178.9382 9 L 4.0219 8.0187 119.5948 57.7990 41.4244 179.2885 10 E 4.0497 7.9960 118.2106 59.0996 29.3540 178.9866 11 E 3.9323 8.0946 119.4911 59.3125 29.7101 178.8129 12 I 3.7051 7.8171 119.8698 64.3655 37.0908 178.4911 13 L 3.8142 7.7903 119.6893 57.9556 41.5327 179.7576 14 S 4.3852 8.4305 115.3731 61.4010 62.6415 176.7204 15 K 4.0416 8.2945 122.6109 59.2226 31.8912 178.8331 16 L 3.9090 7.9830 119.3748 58.0288 41.5841 178.9046 17 Y 4.3211 7.7283 116.5385 61.6051 37.7923 178.1954 18 H 4.1657 8.4759 118.8867 59.5948 29.8712 177.2939 19 I 3.8026 7.9242 121.3729 64.5089 36.8527 178.2589 20 E 4.0185 8.6459 119.8132 59.3221 29.1362 179.3458 21 N 4.3644 8.2991 116.5433 56.4572 38.7721 176.9241 22 E 3.8993 8.1514 120.0276 59.8738 29.5529 179.6545 23 L 4.1183 8.1300 117.8228 56.9189 41.1777 179.3959 24 A 4.0020 7.5766 121.4152 54.9789 18.4704 179.6786 25 R 3.8582 8.1551 116.4944 59.4437 30.1299 178.9383 26 A 4.0186 7.8812 120.4659 55.2329 18.1402 179.8270 27 K 3.8994 8.3283 116.5008 59.4509 32.4167 178.6288 28 K 4.2871 7.6373 118.5091 58.2297 32.9415 178.8738 29 L 3.9910 8.1388 120.2518 57.9492 41.7174 179.1487 30 L 4.2451 7.9979 117.4273 56.9883 42.8648 179.3999 31 G 3.9128 7.3958 108.3481 45.3060 0.0000 173.9796 *32 E 4.1718 7.8754 118.8757 56.3935 30.5318 177.2529 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 4.35 0.00 1.89 2.04 0.00 3.10 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 2 M 7.95 3.85 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.60 0.00 3 K 8.76 3.94 0.00 1.86 1.79 0.00 1.62 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.82 7.81 4 Q 8.13 4.03 0.00 2.36 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 5 I 8.00 3.69 2.03 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 1.02 0.91 0.00 0.00 6 E 8.17 4.01 0.00 2.15 2.12 0.00 0.00 0.00 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 7 D 7.86 4.43 0.00 2.91 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 4.05 0.00 2.17 1.79 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.52 7.81 9 L 8.02 4.02 0.00 1.90 1.70 0.96 0.70 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 10 E 8.00 4.05 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.47 0.00 11 E 8.09 3.93 0.00 2.30 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 0.00 2.31 2.36 0.00 12 I 7.82 3.71 2.04 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.66 0.88 0.00 0.00 13 L 7.79 3.81 0.00 1.91 1.69 0.92 0.66 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 14 S 8.43 4.39 0.00 3.90 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 8.29 4.04 0.00 2.03 1.80 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.51 7.81 16 L 7.98 3.91 0.00 1.60 1.54 0.81 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 7.73 4.32 0.00 3.14 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 8.48 4.17 0.00 3.32 3.53 0.00 5.78 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 7.92 3.80 1.86 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 1.52 0.86 0.89 0.00 0.00 20 E 8.65 4.02 0.00 2.22 2.05 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 2.34 2.57 0.00 21 N 8.30 4.36 0.00 2.98 2.87 0.00 0.00 6.91 7.06 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 22 E 8.15 3.90 0.00 2.12 1.99 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 2.25 2.32 0.00 23 L 8.13 4.12 0.00 2.03 1.71 0.91 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 24 A 7.58 4.00 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 25 R 8.16 3.86 0.00 1.99 2.00 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 26 A 7.88 4.02 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 27 K 8.33 3.90 0.00 1.89 2.11 0.00 1.60 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.66 1.45 7.81 28 K 7.64 4.29 0.00 2.02 2.09 0.00 1.32 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.46 7.81 29 L 8.14 3.99 0.00 1.69 1.77 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.00 4.25 0.00 1.59 1.74 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.40 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.88 4.17 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.