NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1358 8.1185 123.5819 52.1273 20.4858 178.6581 *3 A 4.2746 8.0226 124.6283 53.9070 20.7439 179.8320 4 E 3.9513 8.1378 114.6807 59.4547 29.4384 179.2386 5 A 3.9519 8.2880 120.7793 55.0080 18.3708 179.5283 6 A 3.9127 7.9319 118.8563 55.2226 18.4669 179.3047 7 E 3.8708 8.4058 117.9396 59.4390 29.6805 179.1995 8 K 3.9795 8.3592 118.5161 59.3672 32.0801 179.2427 9 A 3.9635 8.3845 121.1470 55.0698 18.2324 179.5798 10 A 3.9852 8.2510 119.4314 55.2692 18.4137 179.9855 11 K 3.9114 8.3350 117.2009 59.6836 32.0747 178.9073 12 Y 3.9040 8.3943 119.7363 60.6610 38.6743 178.0232 13 A 4.0549 8.4068 121.4944 55.1473 18.4378 179.4419 14 A 3.9234 8.3228 119.5268 55.3742 18.4540 179.7767 15 E 3.8250 8.3985 117.0127 59.3406 29.5031 179.4388 16 A 3.8410 7.9964 120.6706 55.0544 18.3690 179.5819 17 A 3.9239 8.1947 119.5230 55.1572 18.4132 179.4440 18 E 3.8454 8.3433 117.9546 59.3855 29.6654 179.1580 19 K 3.8973 8.1474 118.2632 59.4465 31.8799 179.1684 20 A 3.9458 7.8317 119.6900 55.0642 18.3675 179.2104 21 A 4.0796 8.1107 118.6677 55.1918 18.5169 179.7657 22 K 4.0988 8.0352 115.8383 59.2344 32.3626 181.2175 23 A 4.1338 7.9051 120.9786 51.5429 18.3650 177.2147 *25 A 4.0532 8.0837 129.7644 53.9664 19.0375 177.5489 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 A 8.12 4.14 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.02 4.27 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.14 3.95 0.00 1.99 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 2.40 2.32 0.00 5 A 8.29 3.95 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 6 A 7.93 3.91 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 7 E 8.41 3.87 0.00 2.10 2.11 0.00 0.00 0.00 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 8 K 8.36 3.98 0.00 1.98 1.86 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.60 7.81 9 A 8.38 3.96 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 10 A 8.25 3.99 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 11 K 8.33 3.91 0.00 2.01 1.91 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.59 7.81 12 Y 8.39 3.90 0.00 3.11 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.41 4.05 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.32 3.92 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 15 E 8.40 3.82 0.00 1.94 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 16 A 8.00 3.84 1.26 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 17 A 8.19 3.92 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.34 3.85 0.00 2.10 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 2.28 2.34 0.00 19 K 8.15 3.90 0.00 1.96 1.81 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.52 7.81 20 A 7.83 3.95 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 A 8.11 4.08 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 22 K 8.04 4.10 0.00 1.88 1.87 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.55 7.81 23 A 7.91 4.13 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.08 4.05 1.26 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 * Residues marked with a * may have inaccurate shift predictions.