NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -6 K 4.3247 8.3149 122.1396 53.6923 33.5168 174.4670 -5 P 4.2502 0.0000 0.0000 63.0191 31.8243 174.7500 -4 Q 4.2668 8.3311 124.5107 53.7005 29.0089 172.8091 -3 P 4.2043 0.0000 0.0000 63.5526 31.4742 176.5586 -2 L 4.6984 8.3147 118.5391 53.2209 42.0047 175.4886 -1 N 4.2693 7.5227 114.3051 51.8385 39.2172 171.8657 -5 P 4.2502 0.0000 0.0000 63.0191 31.8243 174.7500 -4 K 4.2468 8.3011 125.1107 54.2005 32.7089 173.4091 -3 I 3.9543 8.0489 123.5390 61.3526 38.1742 175.6586 -2 I 4.5284 8.1547 116.6391 59.2209 38.4047 174.2886 -1 I 3.6993 7.1227 115.5051 59.8385 39.1172 173.0657 6 F 4.7497 8.9644 125.2140 56.3421 42.8330 173.7191 7 E 4.5493 9.3213 119.7388 57.1949 29.3230 178.2483 8 Q 4.0674 7.6685 116.4085 55.4856 29.8087 176.1847 9 E 4.0509 8.5140 120.9593 57.8613 30.0476 176.3003 10 N 3.7773 8.1662 117.7633 53.4363 37.1266 174.3054 11 F 3.7321 7.6383 111.3018 58.0650 36.2205 174.4601 12 Q 4.4378 8.0366 120.3272 56.5296 29.8960 175.4398 13 G 4.0680 8.7434 109.8082 44.8322 0.0000 175.8019 14 H 4.2323 10.7587 116.9853 56.1684 27.3152 174.2746 15 S 4.5240 7.0894 115.3560 56.0479 65.9560 173.5070 16 H 4.8007 8.3320 120.6164 54.3203 32.0256 172.3204 17 E 4.7950 8.3661 126.5015 55.0225 30.5939 174.5401 18 L 4.7725 8.5007 128.6868 53.2112 44.1280 175.4841 19 N 5.0267 8.4701 121.7595 52.1525 39.2932 173.8536 20 G 3.9356 7.7618 106.5278 44.3928 0.0000 171.2881 21 P 4.1929 0.0000 0.0000 63.5234 31.5836 176.9897 22 C 4.6032 8.0379 120.8194 58.3617 32.0859 172.3683 23 P 4.5023 0.0000 0.0000 61.7080 30.4493 175.5900 24 N 4.2336 7.5285 115.5737 54.2711 41.2596 174.1677 25 L 5.1584 9.2998 115.4069 54.7482 45.0616 177.1661 26 K 4.1331 8.1334 121.4019 58.7210 33.0830 177.5186 27 E 4.3868 7.8193 116.6310 54.5526 28.3612 175.8032 28 T 4.2306 7.1018 116.5009 63.2262 73.1538 174.6851 *328 G 3.7254 8.5866 112.3045 45.9624 0.0000 172.7215 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 -6 K 8.31 4.32 0.00 1.79 1.72 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 -5 P 0.00 4.25 0.00 2.13 1.99 0.00 3.89 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 -4 Q 8.33 4.27 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 -3 P 0.00 4.20 0.00 2.41 2.20 0.00 3.45 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 -2 L 8.31 4.70 0.00 1.61 1.70 0.96 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 -1 N 7.52 4.27 0.00 2.76 2.73 0.00 0.00 6.15 7.75 0.00 0.00 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 P 0.00 4.25 0.00 2.13 1.99 0.00 3.89 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 -4 K 8.30 4.25 0.00 1.72 1.80 0.00 0.61 0.00 0.00 1.76 0.00 0.00 2.13 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.35 7.81 -3 I 8.05 3.95 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 1.41 0.52 0.91 0.00 0.00 -2 I 8.15 4.53 1.87 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.44 0.91 0.00 0.00 -1 I 7.12 3.70 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 1.47 0.55 0.91 0.00 0.00 6 F 8.96 4.75 0.00 3.08 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 7 E 9.32 4.55 0.00 2.04 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 8 Q 7.67 4.07 0.00 2.44 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.98 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 9 E 8.51 4.05 0.00 1.95 1.94 0.00 0.00 0.00 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 2.34 0.00 10 N 8.17 3.78 0.00 2.70 3.03 0.00 0.00 7.09 7.02 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 11 F 7.64 3.73 0.00 3.13 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.04 4.44 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.37 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 13 G 8.74 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 10.76 4.23 0.00 3.13 3.29 0.00 5.70 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 7.09 4.52 0.00 2.85 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.33 4.80 0.00 3.09 3.15 0.00 5.72 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.37 4.80 0.00 1.92 1.68 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 0.00 2.16 2.24 0.00 18 L 8.50 4.77 0.00 1.76 1.56 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 19 N 8.47 5.03 0.00 2.71 2.76 0.00 0.00 6.87 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.76 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.19 0.00 2.07 2.05 0.00 3.97 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 22 C 8.04 4.60 0.00 2.89 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.50 0.00 2.08 2.05 0.00 3.79 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 24 N 7.53 4.23 0.00 2.63 2.78 0.00 0.00 6.97 7.78 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 25 L 9.30 5.16 0.00 1.58 1.60 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.13 4.13 0.00 1.71 1.81 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.42 7.81 27 E 7.82 4.39 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 28 T 7.10 4.23 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 *328 G 8.59 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.