NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2626 8.2129 120.8600 56.5486 32.4438 178.2572 *2 M 3.9092 8.0271 119.3931 58.6851 31.2665 180.3318 3 K 4.7034 8.1432 122.1545 58.7095 32.7877 178.1588 4 Q 3.9411 8.0089 119.4168 59.3234 29.0035 178.2350 5 L 4.0336 7.9308 119.9463 57.6097 41.8016 179.1157 6 E 3.9547 8.3384 118.6839 59.7319 29.4154 179.2746 7 D 4.3875 8.4794 119.1390 57.0017 40.8504 178.7976 8 K 3.9418 8.2675 120.5683 59.5012 32.2177 179.3423 9 V 3.6682 8.0582 119.7143 64.7357 31.2176 178.1313 10 E 3.9293 8.0879 118.8265 59.0924 29.3350 178.7364 11 E 3.9339 8.1210 119.2129 59.5851 29.6479 179.0364 12 L 4.0580 8.0496 118.7828 57.7180 41.6059 179.5293 13 L 4.0421 8.4149 119.5343 57.5435 41.4660 179.4817 14 S 4.1563 8.3022 113.3369 61.3466 62.3970 176.3177 15 K 3.9948 8.2684 120.9470 59.3711 31.7464 179.0168 16 A 3.9751 8.3729 121.3139 55.4360 18.4619 178.5597 17 Y 4.1321 8.3231 118.3298 61.7792 38.7277 178.5558 18 H 3.9348 8.2449 116.5128 58.5643 28.6608 177.9834 19 L 3.9561 8.0438 121.0329 57.6870 41.4771 179.1003 20 E 3.8895 8.2245 118.6810 59.5533 29.3402 179.1352 21 N 4.1554 7.6041 115.8745 56.2936 38.6004 177.0448 22 E 3.8548 8.1408 120.5998 59.0959 29.7174 178.7633 23 V 3.5051 8.0480 118.4620 66.0975 31.6542 177.7212 24 A 3.9747 7.9533 120.1619 55.3916 18.1216 179.8699 25 R 3.8803 8.1512 116.5220 59.3171 30.0590 179.1783 26 L 3.9638 8.4180 119.1623 57.8092 41.3862 179.6993 27 K 3.9285 7.9415 117.2717 59.3612 32.3382 179.3188 28 K 4.1187 7.8057 118.0819 59.5937 31.8452 179.4021 29 L 4.0410 7.9681 118.2927 57.4281 41.6281 179.1078 30 V 4.0232 7.9549 116.3181 60.8696 31.8689 176.3912 31 G 4.2740 7.7562 114.1436 46.3934 0.0000 173.5428 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 8.21 4.26 0.00 1.90 1.99 0.00 3.22 0.00 0.00 3.41 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 *2 M 8.03 3.91 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.22 0.00 3 K 8.14 4.70 0.00 1.86 1.83 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.42 7.81 4 Q 8.01 3.94 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 5 L 7.93 4.03 0.00 1.75 1.69 0.92 0.99 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 6 E 8.34 3.95 0.00 2.26 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 2.33 2.51 0.00 7 D 8.48 4.39 0.00 2.85 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.27 3.94 0.00 1.87 1.97 0.00 1.53 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.49 7.81 9 V 8.06 3.67 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 0.98 0.00 0.00 0.94 0.00 0.00 10 E 8.09 3.93 0.00 2.21 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.46 0.00 11 E 8.12 3.93 0.00 2.19 2.17 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 2.33 2.38 0.00 12 L 8.05 4.06 0.00 1.76 1.71 0.93 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.41 4.04 0.00 1.81 1.74 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.30 4.16 0.00 3.98 4.11 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 15 K 8.27 3.99 0.00 2.04 1.87 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.69 7.81 16 A 8.37 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.32 4.13 0.00 2.99 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.24 3.93 0.00 3.26 3.32 0.00 5.67 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.04 3.96 0.00 1.80 1.69 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.22 3.89 0.00 2.01 1.93 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 2.30 2.59 0.00 21 N 7.60 4.16 0.00 2.65 2.73 0.00 0.00 6.68 6.94 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 22 E 8.14 3.85 0.00 2.04 2.05 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 2.29 2.34 0.00 23 V 8.05 3.51 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.93 0.00 0.00 24 A 7.95 3.97 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.15 3.88 0.00 1.98 1.97 0.00 3.29 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.79 0.00 26 L 8.42 3.96 0.00 1.74 1.71 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.94 3.93 0.00 1.99 1.87 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.64 7.81 28 K 7.81 4.12 0.00 1.93 1.84 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.59 1.61 7.81 29 L 7.97 4.04 0.00 1.76 1.73 0.91 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.95 4.02 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.93 0.00 0.00 31 G 7.76 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.