NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3413 8.2549 119.7036 56.4664 31.8577 173.5843 2 S 4.4118 8.2697 118.0291 58.7394 64.0141 173.1249 3 C 4.5932 8.5314 124.1098 57.2847 40.7800 172.6240 4 I 4.5202 7.7448 116.7583 59.7564 39.6655 174.3991 5 D 4.7558 8.4956 123.5892 54.0114 41.9483 176.0165 6 T 4.5603 8.4604 108.1031 61.1785 70.3430 174.0317 7 I 4.3932 7.4463 115.0381 57.8305 40.0277 172.6665 8 P 4.1781 0.0000 0.0000 62.9510 31.1982 177.1069 9 K 3.5427 8.8113 124.2090 59.6407 32.1477 178.5793 10 S 4.3774 8.1188 110.0994 59.6005 62.1847 174.2408 11 R 4.3004 8.5255 118.7408 58.0481 30.8983 175.6935 12 C 4.5909 8.2700 117.6940 56.5581 43.5326 172.5320 13 T 4.6298 7.8192 116.6200 59.2238 70.6609 175.7944 14 A 4.0709 8.5486 124.9488 54.3955 18.8207 178.9851 15 F 4.5398 8.2630 117.8040 60.4699 39.7741 177.4639 16 Q 2.9498 7.2551 118.6596 58.3911 28.5413 177.4033 17 C 4.6140 7.8349 116.8151 56.9612 43.6280 173.6776 18 K 4.3269 7.4969 117.0115 57.6675 34.6565 176.7127 19 H 4.4922 8.6352 115.0552 56.5645 29.3241 175.3132 20 S 4.5839 7.3714 113.5808 56.3110 65.1517 174.6623 *22 K 4.2684 8.2171 117.8761 56.9207 34.3403 177.7302 23 Y 3.9939 8.0459 117.3543 61.0287 37.9607 177.1950 24 R 4.5419 8.0826 115.3784 56.4822 30.1503 177.2709 25 L 4.3961 7.4193 116.6761 55.0318 40.5701 174.9939 26 S 4.3961 7.9448 113.4197 60.0584 69.8699 174.8201 27 F 4.4466 7.5945 116.9090 59.0274 40.1435 176.5347 28 C 4.6469 8.3740 122.0012 55.2475 41.8750 173.4305 29 R 4.4450 7.7716 120.3615 55.4585 30.8103 177.0477 30 K 4.3078 7.6935 124.6975 58.2227 36.0115 177.0954 31 T 3.8308 8.3613 115.4035 66.6447 68.3305 176.1198 32 C 4.5070 8.3135 114.0397 56.9128 40.0175 173.6043 33 G 3.9791 7.9224 107.8544 46.8327 0.0000 174.8591 34 T 4.0898 8.0486 113.5532 62.7432 68.0146 174.7449 35 C 4.4292 8.0099 125.1300 57.0233 44.7129 172.8124 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 4.34 0.00 1.80 1.98 0.00 3.16 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 2 S 8.27 4.41 0.00 3.93 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 8.53 4.59 0.00 2.95 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.74 4.52 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.40 0.91 0.00 0.00 5 D 8.50 4.76 0.00 2.72 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 6 T 8.46 4.56 4.30 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 1.24 0.00 0.00 7 I 7.45 4.39 1.78 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.69 0.72 0.00 0.00 8 P 0.00 4.18 0.00 2.21 2.11 0.00 3.62 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 2.12 2.15 0.00 9 K 8.81 3.54 0.00 1.84 1.93 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.50 7.81 10 S 8.12 4.38 0.00 3.85 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.53 4.30 0.00 1.95 2.07 0.00 3.41 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 12 C 8.27 4.59 0.00 3.17 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 13 T 7.82 4.63 4.30 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 1.29 0.00 0.00 14 A 8.55 4.07 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 15 F 8.26 4.54 0.00 3.01 3.01 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 0.00 0.00 0.00 16 Q 7.26 2.95 0.00 1.56 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.97 0.00 0.00 0.00 0.00 0.00 1.16 1.22 0.00 17 C 7.83 4.61 0.00 3.02 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 18 K 7.50 4.33 0.00 2.05 1.80 0.00 1.86 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.64 7.81 19 H 8.64 4.49 0.00 2.65 3.43 0.00 5.83 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 20 S 7.37 4.58 0.00 4.05 3.65 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 *22 K 8.22 4.27 0.00 2.10 2.26 0.00 1.73 0.00 0.00 1.98 0.00 0.00 3.11 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.69 2.02 7.81 23 Y 8.05 3.99 0.00 3.51 3.15 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 0.00 0.00 0.00 0.00 24 R 8.08 4.54 0.00 1.83 1.98 0.00 3.30 0.00 0.00 3.30 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 25 L 7.42 4.40 0.00 1.63 1.65 0.85 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 26 S 7.94 4.40 0.00 3.37 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 27 F 7.59 4.45 0.00 2.18 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 28 C 8.37 4.65 0.00 3.08 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 29 R 7.77 4.45 0.00 1.76 1.87 0.00 3.36 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 30 K 7.69 4.31 0.00 1.93 1.98 0.00 1.42 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.26 1.37 7.81 31 T 8.36 3.83 4.30 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 1.25 0.00 0.00 32 C 8.31 4.51 0.00 2.99 3.15 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 0.00 0.00 0.00 0.00 33 G 7.92 3.98 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 0.00 0.00 0.00 34 T 8.05 4.09 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 35 C 8.01 4.43 0.00 3.06 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 * Residues marked with a * may have inaccurate shift predictions.