NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2601 8.2549 119.7064 55.9392 30.5455 175.1291 2 D 4.5214 8.3985 123.4128 53.4628 41.9994 175.8930 3 C 5.0377 9.2499 116.5727 57.8181 41.6646 176.1135 4 C 4.6395 7.9130 113.6685 57.3528 37.6089 174.6540 5 T 4.2097 7.7971 114.9190 63.8727 67.9147 174.0974 *8 K 4.2884 7.6284 119.5963 56.5387 33.2995 176.1277 9 K 4.3931 8.1949 121.1463 55.5175 32.9067 173.4726 10 C 4.7949 8.3284 123.2579 54.3202 40.0799 172.8045 11 K 4.4375 7.9601 120.0728 57.0618 37.5684 176.1441 12 D 4.7346 7.8671 117.3696 52.7095 42.2999 177.0011 13 A 3.9926 8.4965 123.5478 55.7384 18.4553 179.7819 14 Q 4.3948 7.9828 110.1216 57.1277 28.2358 177.4845 15 C 4.9189 8.0714 112.3618 56.8497 43.0444 174.7762 16 K 4.0962 7.6144 121.8871 56.0458 31.0829 177.2758 *18 Q 3.9804 7.8545 117.5763 55.6161 30.0637 177.0304 19 R 3.9055 8.7780 120.3482 59.4223 29.3323 175.4255 20 C 4.7864 7.9656 111.3357 55.2968 42.3118 174.2072 21 C 4.9375 8.9238 117.6852 59.2086 48.9486 174.1754 22 A 4.1656 7.4441 124.3910 52.7622 17.8775 177.1004 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 8.25 4.26 0.00 1.80 1.98 0.00 3.22 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 1.53 1.72 0.00 2 D 8.40 4.52 0.00 2.81 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.25 5.04 0.00 2.98 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 4 C 7.91 4.64 0.00 2.90 3.06 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 0.00 0.00 0.00 5 T 7.80 4.21 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 *8 K 7.63 4.29 0.00 1.77 1.93 0.00 1.77 0.00 0.00 0.61 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.52 1.40 7.81 9 K 8.19 4.39 0.00 1.72 1.78 0.00 1.58 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.40 7.81 10 C 8.33 4.79 0.00 2.96 2.99 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 0.00 0.00 0.00 11 K 7.96 4.44 0.00 1.65 1.74 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.40 7.81 12 D 7.87 4.73 0.00 2.74 2.56 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 0.00 0.00 0.00 0.00 13 A 8.50 3.99 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.98 4.39 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 15 C 8.07 4.92 0.00 3.06 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 16 K 7.61 4.10 0.00 1.88 1.79 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.41 7.81 *18 Q 7.85 3.98 0.00 2.41 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 19 R 8.78 3.91 0.00 1.91 2.11 0.00 3.02 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 20 C 7.97 4.79 0.00 3.10 3.21 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 21 C 8.92 4.94 0.00 3.16 3.06 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 0.00 0.00 0.00 22 A 7.44 4.17 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 * Residues marked with a * may have inaccurate shift predictions.