NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1535 8.2549 117.2618 54.8556 31.0208 175.2168 2 P 4.0657 0.0000 0.0000 62.1437 32.0259 176.0350 3 D 4.3845 8.4691 121.6296 57.2250 41.6435 178.6414 4 F 4.4614 7.8078 114.3285 59.4108 37.7936 177.7525 5 C 4.5807 7.3320 116.4173 59.0652 40.0089 174.7333 6 L 4.2384 7.6187 119.2911 54.3476 41.9838 176.6865 7 E 4.3475 7.4436 117.7265 54.6348 30.6176 174.9835 8 P 4.4346 0.0000 0.0000 61.6775 32.1194 174.4463 9 P 3.7058 0.0000 0.0000 62.6670 31.4578 175.3291 10 Y 4.6631 7.8269 120.8567 56.0624 40.5024 175.3238 11 T 4.1608 8.3787 125.4133 65.0977 68.8380 176.0019 12 G 3.3963 6.9066 106.1516 44.0196 0.0000 170.9209 13 P 4.4222 0.0000 0.0000 63.3726 31.9962 177.0434 14 C 4.5314 7.6633 117.2243 56.7958 41.1126 173.6552 15 K 4.3905 8.2180 118.6028 56.2865 32.0070 176.5856 16 A 4.2388 8.0021 123.2302 51.7850 20.2047 177.7143 17 R 4.5129 8.2969 117.2271 54.2171 31.5847 173.7709 18 I 4.3900 8.4516 123.5674 59.1555 39.7364 174.6678 19 I 4.3455 8.3049 128.6537 61.0179 37.7736 175.5410 20 R 4.7752 8.6273 125.2299 54.6311 34.7786 173.8411 21 Y 5.4668 9.3068 118.3437 57.0020 40.3970 175.1076 22 F 5.7200 9.6249 116.5307 55.4900 42.4620 172.7866 23 Y 4.4312 9.9048 122.4227 57.0360 40.0519 173.8729 24 N 4.6616 8.0670 126.7267 51.9628 38.8314 175.3613 25 A 3.8152 8.4647 129.8825 54.2845 19.0397 178.6258 26 K 4.0274 7.9750 116.4274 59.0480 32.3513 177.8188 27 A 4.1237 8.0297 119.9131 52.2054 19.1549 177.6178 28 G 4.1323 8.2189 103.3857 45.8541 0.0000 173.2127 29 L 4.8220 6.7890 117.1019 52.7001 46.5717 176.0581 30 C 4.9120 8.6772 118.6328 56.8527 39.4287 173.0544 31 Q 4.9434 8.7595 121.6980 54.2660 33.0437 174.5017 32 T 4.9812 8.4449 110.7126 61.1852 70.7641 173.5529 33 F 5.0355 9.1215 117.1558 55.8611 42.1913 173.0385 34 V 4.2731 8.3771 119.5426 61.8636 32.2765 174.1378 35 Y 4.6948 8.7931 130.3361 56.2264 40.3177 176.2152 36 G 3.8883 8.2556 112.9911 45.9651 0.0000 175.0990 37 G 3.7794 6.7121 108.0876 45.0504 0.0000 172.3363 38 C 4.9591 6.8613 111.9883 54.8290 44.6492 173.1147 39 R 3.8649 8.8468 116.1925 56.9688 26.9405 176.8462 40 A 4.1959 8.4301 119.0622 52.7025 18.9085 178.1636 41 K 4.4525 8.2017 120.0028 54.6416 34.5006 176.9499 42 R 3.6117 8.1049 117.8930 59.1630 30.3496 177.6821 43 N 4.7211 8.0332 117.3689 51.2628 37.3088 173.6678 44 N 4.9989 6.4318 115.8208 52.8899 41.5267 173.2134 45 F 5.0326 9.3893 124.7413 55.6864 42.6421 176.3754 46 K 4.4247 8.8763 121.9274 57.8444 32.7742 177.1987 47 S 4.8063 7.8458 112.2025 56.0464 66.1200 174.7961 48 A 3.0922 8.0286 124.5080 54.9901 18.3377 179.1732 49 E 4.0038 7.8869 114.4595 59.5477 30.1164 178.1837 50 D 4.3587 8.1215 118.7503 57.5652 41.1007 177.9650 51 C 2.4500 7.7312 115.0274 57.2681 43.3494 174.7616 *53 R 4.0866 7.9852 118.9936 56.5110 31.2801 176.8407 54 T 4.0631 7.8306 113.1042 66.1325 68.5206 174.9309 55 C 4.3389 8.0102 115.5852 56.2817 41.5748 174.3363 56 G 3.9629 7.2963 108.4217 44.6683 0.0000 174.5282 57 G 3.9481 7.3238 111.7918 45.8526 0.0000 173.6289 58 A 4.2592 8.7690 128.3573 52.1173 19.3636 175.7998 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 4.15 0.00 1.68 1.83 0.00 2.94 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.44 0.00 2 P 0.00 4.07 0.00 1.01 1.84 0.00 3.24 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 1.79 2.06 0.00 3 D 8.47 4.38 0.00 2.70 2.73 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 4 F 7.81 4.46 0.00 3.48 3.35 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 5 C 7.33 4.58 0.00 2.89 3.05 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 0.00 0.00 0.00 6 L 7.62 4.24 0.00 1.77 1.75 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.44 4.35 0.00 2.12 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 2.70 2.30 0.00 8 P 0.00 4.43 0.00 2.13 2.07 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 9 P 0.00 3.71 0.00 0.49 0.49 0.00 3.36 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.44 0.00 10 Y 7.83 4.66 0.00 2.76 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.38 4.16 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 12 G 6.91 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.42 0.00 2.17 2.17 0.00 3.75 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.02 0.00 14 C 7.66 4.53 0.00 2.87 2.94 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 15 K 8.22 4.39 0.00 1.67 1.75 0.00 1.71 0.00 0.00 1.64 0.00 0.00 3.12 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.31 7.81 16 A 8.00 4.24 1.11 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 0.00 0.00 17 R 8.30 4.51 0.00 1.60 1.79 0.00 3.13 0.00 0.00 3.19 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.56 0.00 18 I 8.45 4.39 2.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.72 0.98 0.00 0.00 19 I 8.30 4.35 1.80 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.68 0.76 0.00 0.00 20 R 8.63 4.78 0.00 0.95 1.79 0.00 3.46 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.57 0.00 21 Y 9.31 5.47 0.00 3.29 3.07 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 22 F 9.62 5.72 0.00 3.21 2.97 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 0.00 0.00 0.00 23 Y 9.90 4.43 0.00 3.11 3.05 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 0.00 0.00 0.00 24 N 8.07 4.66 0.00 2.35 2.45 0.00 0.00 6.65 8.62 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 25 A 8.46 3.82 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.97 4.03 0.00 1.76 1.96 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.38 7.81 27 A 8.03 4.12 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.22 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 6.79 4.82 0.00 1.38 1.40 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.68 4.91 0.00 2.78 3.07 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 31 Q 8.76 4.94 0.00 1.55 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 32 T 8.44 4.98 4.08 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 0.00 0.00 0.62 0.00 0.00 33 F 9.12 5.04 0.00 2.98 3.08 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 0.00 0.00 0.00 34 V 8.38 4.27 2.07 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 0.69 0.00 0.00 0.90 0.00 0.00 35 Y 8.79 4.69 0.00 2.51 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 36 G 8.26 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 37 G 6.71 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 38 C 6.86 4.96 0.00 3.06 2.98 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 0.00 0.00 0.00 39 R 8.85 3.86 0.00 2.20 2.31 0.00 3.32 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 40 A 8.43 4.20 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.20 4.45 0.00 1.73 1.77 0.00 1.43 0.00 0.00 1.43 0.00 0.00 2.13 0.00 0.00 2.27 0.00 0.00 0.00 0.00 1.14 1.17 7.81 42 R 8.10 3.61 0.00 1.11 0.66 0.00 2.42 0.00 0.00 2.88 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.30 0.00 43 N 8.03 4.72 0.00 3.23 2.88 0.00 0.00 6.69 7.79 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 44 N 6.43 5.00 0.00 2.70 2.63 0.00 0.00 7.08 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 45 F 9.39 5.03 0.00 3.34 2.98 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 0.00 0.00 0.00 46 K 8.88 4.42 0.00 1.84 1.95 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.47 7.81 47 S 7.85 4.81 0.00 4.10 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 48 A 8.03 3.09 0.56 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 0.00 0.00 49 E 7.89 4.00 0.00 1.88 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 2.25 2.30 0.00 50 D 8.12 4.36 0.00 2.95 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 7.73 2.45 0.00 2.62 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *53 R 7.99 4.09 0.00 1.93 2.03 0.00 3.26 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00 54 T 7.83 4.06 4.09 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 0.00 0.00 1.59 0.00 0.00 55 C 8.01 4.34 0.00 2.48 1.80 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 0.00 0.00 0.00 0.00 56 G 7.30 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.32 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.77 4.26 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.