NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 C 4.6436 8.5545 120.6381 56.7933 45.0861 173.2211 12 C 4.6818 8.4585 122.8485 57.4167 32.8671 170.4854 13 K 4.2476 9.0069 124.7773 55.9856 32.0582 176.6371 14 K 4.1136 8.6930 130.7314 55.4088 31.8206 172.9975 *16 F 4.7564 7.9688 121.9977 57.7740 41.2437 174.5890 17 F 4.2252 6.8780 127.5806 58.7753 40.0977 175.4104 18 V 4.2804 7.4137 126.0402 60.1309 36.0513 173.5271 19 S 4.4538 8.2802 119.4580 56.4774 63.4594 173.8463 *29 I 4.2675 8.0946 124.5865 60.6406 37.7252 175.8295 30 I 3.8716 12.0000 127.0789 63.7343 37.4355 176.6270 31 A 4.3702 7.3091 118.8774 50.7448 21.3924 174.3931 32 P 4.8775 0.0000 0.0000 62.0615 33.2873 176.5664 33 S 4.2997 8.7736 113.6336 61.2790 62.9420 174.9496 34 G 4.4848 7.9592 104.5950 43.7371 0.0000 171.1443 35 Y 4.9174 8.6686 123.1755 56.4222 41.5618 174.1757 *36 H 4.8926 8.5007 117.8163 53.9477 30.5775 170.7340 *38 N 4.7937 8.6078 113.6644 56.0742 39.7194 174.4905 *39 Y 4.8336 8.1443 118.9495 56.1322 42.0286 175.6233 40 C 5.3413 8.9630 120.2143 56.2923 39.4051 174.0147 41 E 4.7776 9.9655 121.7156 54.0680 33.9592 172.9034 42 G 4.1374 7.8070 112.1146 44.7872 0.0000 171.8756 43 E 4.8441 8.0935 114.5389 54.0841 33.6276 171.3843 44 C 5.1404 8.3473 115.6849 54.9218 42.9263 173.0445 45 P 4.1600 0.0000 0.0000 64.7573 30.9564 175.7511 *80 C 4.2351 7.7614 116.7683 60.1360 29.9261 173.6292 81 C 4.9506 8.8337 123.5291 55.6952 41.1817 172.6082 82 V 4.7405 9.3640 119.7352 58.1437 35.5605 173.5193 83 P 4.5949 0.0000 0.0000 63.7971 31.2572 175.8784 84 T 4.4429 10.7500 119.4047 63.0679 69.8255 175.0318 85 K 4.7106 8.0119 126.7847 53.9586 34.6144 178.6250 86 L 5.3618 8.5689 128.2711 53.0330 45.4808 173.8748 87 R 4.6871 8.8231 116.3830 56.5341 33.2727 170.4731 88 P 5.0569 0.0000 0.0000 62.3448 32.9526 175.2155 89 M 4.8480 9.3920 118.8971 54.7201 34.5410 175.2668 90 S 4.7492 8.6519 119.0497 59.4077 62.3560 173.8706 91 M 5.1147 8.5876 119.3302 54.1294 36.4090 173.6488 92 L 4.7626 9.6423 127.4233 53.5327 44.8216 175.1000 93 Y 4.8043 6.8574 120.2418 56.5983 40.5371 172.5797 94 Y 4.9014 8.8213 118.9056 57.3714 40.0464 175.9290 95 D 4.7679 8.6332 124.2025 52.5258 42.0717 174.9581 96 D 4.2652 9.4740 122.8515 55.2048 36.9609 171.4529 97 G 3.8802 7.7233 112.7097 46.3148 0.0000 170.8555 *100 I 4.4261 6.9597 117.1130 61.7598 38.3406 175.5839 101 I 4.5410 7.1712 123.8840 60.6246 41.9976 174.2688 102 K 4.7489 8.5651 129.3876 54.0021 34.1385 177.3981 103 K 4.6597 8.3720 127.8964 52.6087 36.1215 171.5610 104 D 4.8843 8.8235 125.2428 52.4085 41.7618 176.0682 105 I 4.2500 8.3610 125.5585 60.1397 39.0028 175.2819 106 Q 4.2843 8.6776 127.6614 56.6105 29.6703 174.9108 107 N 4.1725 8.6764 120.3517 54.6621 36.4940 172.1701 108 M 4.6773 8.7178 119.3912 54.4097 35.2600 175.7906 109 I 4.6114 7.6169 118.9861 59.1600 40.9428 175.2753 110 V 3.9748 8.6950 129.1600 63.4694 30.7575 176.3685 111 E 4.2754 9.5674 129.2591 59.4523 29.6958 175.0184 112 E 4.7029 7.7539 117.2069 54.9083 34.1020 177.4400 113 C 5.1093 8.3701 123.6492 55.5330 39.7473 170.8384 114 G 3.7817 8.1591 108.1198 45.1364 0.0000 172.5943 115 C 5.8541 7.9109 115.6732 54.4784 42.6581 174.5561 116 S 4.2856 8.3049 117.8107 58.5095 62.0646 174.4467 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 11 C 8.55 4.64 0.00 2.95 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.46 4.68 0.00 2.50 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.01 4.25 0.00 1.53 1.65 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.70 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.00 7.81 14 K 8.69 4.11 0.00 1.50 1.54 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.31 1.24 7.81 *16 F 7.97 4.76 0.00 3.04 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 17 F 6.88 4.23 0.00 2.40 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 0.00 0.00 0.00 0.00 18 V 7.41 4.28 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 0.66 0.00 0.00 0.93 0.00 0.00 19 S 8.28 4.45 0.00 3.62 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.09 4.27 1.88 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 1.33 1.13 1.07 0.00 0.00 30 I 12.00 3.87 1.79 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.24 0.83 0.00 0.00 31 A 7.31 4.37 1.21 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 0.00 0.00 32 P 0.00 4.88 0.00 2.28 2.17 0.00 3.80 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 33 S 8.77 4.30 0.00 3.93 3.97 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 34 G 7.96 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 8.67 4.92 0.00 3.05 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.50 4.89 0.00 2.71 2.93 0.00 7.23 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *38 N 8.61 4.79 0.00 2.64 2.86 0.00 0.00 6.41 7.46 0.00 0.00 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 Y 8.14 4.83 0.00 1.93 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 0.00 0.00 0.00 0.00 40 C 8.96 5.34 0.00 2.83 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 41 E 9.97 4.78 0.00 1.61 1.73 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 2.13 2.11 0.00 42 G 7.81 4.14 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 0.00 0.00 0.00 43 E 8.09 4.84 0.00 1.94 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.85 0.00 44 C 8.35 5.14 0.00 2.91 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 4.16 0.00 2.17 2.17 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 *80 C 7.76 4.24 0.00 2.93 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 81 C 8.83 4.95 0.00 2.98 3.03 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 0.00 0.00 0.00 0.00 82 V 9.36 4.74 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 0.87 0.00 0.00 0.94 0.00 0.00 83 P 0.00 4.59 0.00 1.97 2.01 0.00 3.90 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 84 T 10.75 4.44 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 1.29 0.00 0.00 85 K 8.01 4.71 0.00 1.46 1.64 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.82 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.34 0.98 7.81 86 L 8.57 5.36 0.00 1.38 1.46 0.92 0.75 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 87 R 8.82 4.69 0.00 1.43 1.77 0.00 3.23 0.00 0.00 3.22 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.45 0.00 88 P 0.00 5.06 0.00 2.05 2.27 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 89 M 9.39 4.85 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 90 S 8.65 4.75 0.00 3.42 3.69 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 91 M 8.59 5.11 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 92 L 9.64 4.76 0.00 1.63 1.54 0.77 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 6.86 4.80 0.00 3.20 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 8.82 4.90 0.00 3.01 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 D 8.63 4.77 0.00 2.64 2.44 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 0.00 96 D 9.47 4.27 0.00 2.78 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 G 7.72 3.88 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 0.00 0.00 0.00 *100 I 6.96 4.43 1.73 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.61 0.68 0.00 0.00 101 I 7.17 4.54 1.63 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.56 0.87 0.00 0.00 102 K 8.57 4.75 0.00 1.49 1.55 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.68 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.23 0.97 7.81 103 K 8.37 4.66 0.00 1.46 1.63 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.26 1.27 7.81 104 D 8.82 4.88 0.00 2.56 2.66 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 0.00 105 I 8.36 4.25 1.94 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.95 0.85 0.00 0.00 106 Q 8.68 4.28 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.45 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 107 N 8.68 4.17 0.00 2.83 2.76 0.00 0.00 6.99 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 0.00 108 M 8.72 4.68 0.00 1.74 2.01 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 109 I 7.62 4.61 1.94 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.20 1.11 0.00 0.00 110 V 8.69 3.97 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 1.01 0.00 0.00 111 E 9.57 4.28 0.00 1.75 1.84 0.00 0.00 0.00 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 2.14 0.00 112 E 7.75 4.70 0.00 1.58 1.76 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 2.20 1.89 0.00 113 C 8.37 5.11 0.00 2.96 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 0.00 114 G 8.16 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 0.00 115 C 7.91 5.85 0.00 2.94 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 0.00 116 S 8.30 4.29 0.00 3.87 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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.