NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3344 8.3344 115.2883 57.2486 63.6016 172.6293 3 E 3.7888 8.6773 122.6285 56.1207 29.7656 175.3694 4 S 4.3641 10.2831 124.2652 58.3692 64.5506 174.8611 5 L 3.9991 8.7675 124.4691 57.9695 41.6019 178.1859 6 L 4.5382 7.9272 115.9761 54.9616 42.0557 177.4765 7 Y 4.2326 8.3939 122.2353 61.0719 38.6005 178.6870 8 G 3.6070 8.2822 105.9097 47.8229 0.0000 174.7340 9 Y 3.9307 7.8862 121.2635 60.6720 38.9196 178.1559 10 F 4.3287 8.2462 120.1657 59.5873 38.9672 177.5658 11 L 3.6385 7.9106 120.5546 58.0115 41.8228 178.5161 12 D 4.2213 8.0243 118.2715 57.3333 40.6456 178.4244 13 S 4.1569 7.6975 114.3353 60.9020 62.8961 176.4104 14 W 4.0869 8.2112 132.0868 60.4112 30.5422 178.1254 15 L 3.7339 8.0268 119.1568 56.9735 40.6861 178.1291 16 D 4.3975 7.7431 116.1048 52.6883 39.6362 177.2145 17 G 2.6303 7.2321 107.0362 45.9286 0.0000 174.8429 18 T 4.0349 7.8105 110.8120 63.2776 69.3163 175.1113 19 A 4.7510 7.8589 124.1387 50.6757 20.3547 176.1242 20 S 4.8784 8.2597 114.3996 56.3404 66.1161 173.2966 21 E 4.1148 9.0605 119.6719 59.3809 30.1123 176.9256 22 E 4.1681 7.6982 120.8325 56.5464 28.1968 176.9933 *25 R 4.2227 7.7459 121.4926 56.2789 32.9850 178.7644 26 V 3.5253 7.7173 116.1966 65.9835 31.4724 177.8812 27 A 3.8368 7.7228 119.9525 55.0725 18.2427 179.5724 28 V 4.2427 7.4898 117.4742 65.7777 31.4791 177.5363 29 N 4.2706 8.0069 115.2462 56.6912 38.8762 176.3499 30 A 4.2180 8.1553 121.0255 53.0729 18.5111 178.4057 31 G 3.8709 7.7239 104.7176 46.0449 0.0000 174.2154 32 D 4.7172 8.0902 119.3160 55.1129 41.6026 176.6661 33 L 4.9255 7.3779 118.3786 52.3257 45.9792 175.5435 34 T 4.5813 8.7528 112.6798 60.7840 71.5241 175.9055 35 Q 3.9266 8.4520 122.0911 59.2501 28.9506 178.0125 36 E 3.9115 8.1041 119.8692 59.3465 29.6734 178.5349 37 E 4.0520 8.2544 118.3744 59.3688 29.3354 179.1120 38 A 3.8766 7.8553 119.6536 55.3039 18.4933 179.0836 39 D 4.3542 8.2264 116.6106 57.3345 40.9421 178.8849 40 K 4.2142 8.1233 118.1856 59.4192 32.4204 180.8089 41 I 3.6696 7.9352 119.0320 61.5447 36.8682 177.9717 *43 S 4.4312 8.0685 115.2030 58.0924 64.7521 173.5408 44 Y 4.3315 7.8255 118.7863 56.3505 38.6207 173.3599 45 P 4.5426 0.0000 0.0000 62.0668 31.8270 175.7783 46 W 3.3872 9.0852 133.8889 58.3876 31.0861 175.4997 47 G 3.0166 7.7416 112.3962 45.8201 0.0000 175.1283 48 A 3.9879 7.4565 124.3385 54.3110 18.3280 179.4395 49 W 4.9492 8.1170 113.8958 56.5641 29.4520 176.5823 50 N 4.3628 7.9206 120.2759 56.1790 38.4248 174.5294 51 D 4.5360 7.9194 120.6684 54.3069 41.2889 175.8575 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 2 S 8.33 4.33 0.00 3.84 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 E 8.68 3.79 0.00 1.99 1.87 0.00 0.00 0.00 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 2.18 0.00 4 S 10.28 4.36 0.00 4.08 4.01 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 5 L 8.77 4.00 0.00 1.67 1.77 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.93 4.54 0.00 1.99 1.66 0.96 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.39 4.23 0.00 3.25 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 8 G 8.28 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Y 7.89 3.93 0.00 2.93 2.89 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 10 F 8.25 4.33 0.00 3.05 2.95 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 11 L 7.91 3.64 0.00 1.03 1.41 -0.23 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.02 4.22 0.00 2.83 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 13 S 7.70 4.16 0.00 4.02 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 14 W 8.21 4.09 0.00 3.45 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.03 3.73 0.00 1.60 1.21 -0.31 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 16 D 7.74 4.40 0.00 2.72 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.23 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 0.00 0.00 0.00 18 T 7.81 4.03 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 19 A 7.86 4.75 1.56 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 20 S 8.26 4.88 0.00 3.76 3.79 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 0.00 0.00 0.00 0.00 21 E 9.06 4.11 0.00 2.09 2.09 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 2.31 2.31 0.00 22 E 7.70 4.17 0.00 2.07 1.90 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 2.34 2.31 0.00 *25 R 7.75 4.22 0.00 2.11 1.98 0.00 3.18 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.82 0.00 26 V 7.72 3.53 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 1.12 0.00 0.00 0.98 0.00 0.00 27 A 7.72 3.84 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.49 4.24 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.94 0.00 0.00 29 N 8.01 4.27 0.00 2.79 3.04 0.00 0.00 7.27 7.45 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 30 A 8.16 4.22 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.72 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.09 4.72 0.00 2.77 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.38 4.93 0.00 1.54 1.46 0.67 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.75 4.58 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 1.22 0.00 0.00 35 Q 8.45 3.93 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.41 2.61 0.00 36 E 8.10 3.91 0.00 2.06 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 37 E 8.25 4.05 0.00 2.33 2.33 0.00 0.00 0.00 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 38 A 7.86 3.88 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.23 4.35 0.00 2.76 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 40 K 8.12 4.21 0.00 2.10 2.10 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.64 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.50 7.81 41 I 7.94 3.67 1.69 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.85 0.42 0.00 0.00 *43 S 8.07 4.43 0.00 3.94 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.83 4.33 0.00 3.21 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 45 P 0.00 4.54 0.00 2.28 2.29 0.00 3.88 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 46 W 9.09 3.39 0.00 2.58 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 47 G 7.74 3.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.46 3.99 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.12 4.95 0.00 3.34 2.95 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 50 N 7.92 4.36 0.00 2.53 2.81 0.00 0.00 6.91 8.47 0.00 0.00 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 D 7.92 4.54 0.00 2.66 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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.