NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.6469 8.4244 119.2046 53.7993 39.7108 176.0612 4 K 4.2329 8.4263 115.1898 55.2676 32.7094 175.5411 5 R 3.9501 8.8621 118.9349 59.9313 30.7259 176.7675 6 N 4.5488 8.0552 115.7452 55.7973 38.3212 177.3118 7 V 3.7510 7.5752 119.2187 65.7207 31.7624 177.7240 8 E 4.0751 8.3307 118.4975 58.8029 27.9161 178.5912 9 L 4.1147 7.6228 118.9563 57.1420 41.1052 178.1299 10 L 4.1406 7.6123 117.0103 56.0419 41.6661 177.7903 11 A 4.3127 7.5554 118.9015 53.1774 19.6776 178.1335 12 T 4.3642 7.7191 110.4586 63.4528 68.0413 176.4278 13 L 4.1144 7.3580 121.1252 57.4479 41.7635 179.0011 14 K 4.1791 7.6010 117.9607 58.4215 31.5267 178.8263 15 E 3.9507 7.6976 119.6499 58.9853 29.3973 178.2024 16 N 4.5069 7.9666 116.1613 55.7866 38.5616 177.3504 17 L 4.1919 7.7927 119.1141 57.3492 42.1474 178.7038 18 E 4.1517 8.4167 118.9904 59.2366 29.5825 179.1655 19 R 4.1312 7.7843 116.1802 58.1842 30.0101 177.7985 20 A 4.4980 7.3200 117.1546 52.6783 18.4211 176.9333 21 Q 4.7002 7.6433 114.1074 57.6157 36.9800 175.3990 22 G 4.2267 7.3514 109.4134 45.3177 0.0000 175.9086 *56 N 4.7597 8.8051 123.0708 52.8332 40.0705 174.5297 57 T 4.6311 7.6210 110.4104 63.8926 72.8433 174.9195 58 L 4.0915 8.0109 122.1587 57.6771 42.6890 178.0312 59 I 3.9606 7.7642 119.1633 64.0375 37.4664 177.7108 60 R 4.2646 7.9814 115.0127 57.4121 29.5709 176.4008 61 L 4.6525 7.6225 114.3642 54.9332 44.4074 176.9671 62 A 4.3086 8.1671 120.4296 52.5564 19.0907 178.4191 63 L 4.1363 7.6483 117.9115 56.4335 42.9548 178.6610 64 K 4.0243 8.0416 116.9076 58.5068 32.1218 177.0742 65 E 4.3666 8.0319 117.1332 56.1727 30.3538 175.9765 66 L 4.2696 7.0734 117.6711 56.5210 42.8649 176.3694 67 G 3.7876 7.9659 111.3143 46.4360 0.0000 172.5007 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 3 N 8.42 4.65 0.00 2.70 2.41 0.00 0.00 6.81 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.43 4.23 0.00 1.92 1.74 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.55 7.81 5 R 8.86 3.95 0.00 1.84 1.96 0.00 3.28 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 6 N 8.06 4.55 0.00 2.80 2.84 0.00 0.00 6.81 7.68 0.00 0.00 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 V 7.58 3.75 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.93 0.00 0.00 8 E 8.33 4.08 0.00 2.07 1.98 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 2.33 2.57 0.00 9 L 7.62 4.11 0.00 1.81 1.78 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.61 4.14 0.00 1.90 1.68 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 11 A 7.56 4.31 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.72 4.36 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 13 L 7.36 4.11 0.00 1.85 1.69 0.97 0.58 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 14 K 7.60 4.18 0.00 1.95 1.85 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.65 7.81 15 E 7.70 3.95 0.00 2.31 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 2.30 2.35 0.00 16 N 7.97 4.51 0.00 2.93 2.84 0.00 0.00 6.93 6.57 0.00 0.00 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 L 7.79 4.19 0.00 1.61 1.72 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.42 4.15 0.00 2.05 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 2.49 2.49 0.00 19 R 7.78 4.13 0.00 1.90 1.97 0.00 3.12 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 20 A 7.32 4.50 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.64 4.70 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 22 G 7.35 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *56 N 8.81 4.76 0.00 2.73 2.93 0.00 0.00 6.53 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 T 7.62 4.63 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 1.21 0.00 0.00 58 L 8.01 4.09 0.00 1.60 1.69 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.76 3.96 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 1.30 0.44 0.91 0.00 0.00 60 R 7.98 4.26 0.00 1.77 1.93 0.00 3.17 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 61 L 7.62 4.65 0.00 1.62 1.64 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.17 4.31 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 63 L 7.65 4.14 0.00 1.80 1.65 0.92 0.67 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 64 K 8.04 4.02 0.00 1.78 1.86 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.42 7.81 65 E 8.03 4.37 0.00 1.91 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 2.22 2.22 0.00 66 L 7.07 4.27 0.00 1.91 1.66 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.97 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.