NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 H 4.8458 8.4444 120.4053 56.4562 31.0685 171.9859 6 F 4.5577 7.7421 122.8839 56.5046 41.9546 172.4405 7 F 4.2020 7.2441 127.7521 56.3321 42.9728 173.3070 8 E 3.8400 7.3818 129.1608 54.6087 28.4117 175.9087 9 G 3.7256 8.2228 116.1978 48.1113 0.0000 172.9272 10 T 3.8265 7.8131 116.8462 63.8738 68.7667 173.3538 11 E 4.6013 8.5312 123.6921 54.6078 31.9746 174.9840 12 K 4.5612 8.2544 118.6027 54.4860 34.1069 175.8248 13 L 4.6868 8.3575 123.9102 52.9436 44.5481 175.0820 14 L 4.7032 8.5188 127.1517 53.0305 44.3276 174.9151 15 E 4.5423 8.6982 125.5236 54.3811 32.1179 174.4118 16 V 4.3588 8.2846 125.1544 60.6310 34.2853 174.2088 17 W 4.5865 8.6654 126.2276 54.8987 31.1349 175.2894 18 F 4.9585 8.7919 121.6499 56.0527 40.8687 175.3443 19 S 4.8360 8.4275 115.0272 57.9886 63.0457 175.1683 *29 S 4.2870 8.1247 115.2922 57.7932 64.8128 174.6961 30 G 3.9082 8.5413 107.3006 45.8024 0.0000 172.4651 31 D 4.6748 7.8377 118.7571 52.1515 44.1701 176.4118 32 L 4.0996 8.6215 126.3565 57.5055 41.9149 178.8651 33 R 4.3801 8.5045 116.8631 57.8060 30.0498 177.5051 34 T 4.1133 7.5411 107.9498 63.0699 69.3364 175.1477 35 I 3.5386 7.3444 123.9371 60.4180 37.3463 174.2432 36 P 4.4217 0.0000 0.0000 62.2081 32.1837 177.0928 37 R 4.1666 8.9058 120.2421 60.1083 29.8661 178.9367 38 S 4.1816 8.0400 113.3561 61.4655 62.8938 176.2875 39 E 3.8804 8.0488 122.1393 58.8527 29.0710 179.2302 40 W 4.5153 7.7938 118.5420 59.9198 29.1968 178.0711 41 D 4.4193 8.3839 118.8410 57.4016 40.0392 178.9919 42 I 3.6820 7.4160 118.6215 64.2768 37.4979 177.7646 43 L 4.1349 8.1703 121.4104 58.4688 41.9251 179.1580 44 L 4.1742 8.3688 118.8525 57.3494 41.5812 179.2540 45 K 3.9601 8.0449 119.8470 59.6984 31.8563 178.5538 46 D 4.4394 7.6263 116.8606 56.8007 40.8468 178.0159 47 V 3.8133 7.5842 116.0027 62.5807 32.4324 174.8693 48 Q 3.6528 8.5766 115.1862 57.0096 25.7755 171.7876 49 C 5.1441 8.2782 110.6212 58.3076 33.6735 173.5471 50 S 4.7262 8.7241 112.4698 57.0444 66.4032 173.4464 51 I 4.5984 8.3679 122.3606 61.4050 37.0572 175.8963 52 I 4.5234 8.6268 119.0882 60.9359 39.5566 175.5140 53 S 4.6821 7.7423 116.3886 57.1592 65.8242 172.9180 54 V 4.5635 8.2093 124.8290 61.4015 34.4841 174.5412 55 T 4.5818 8.8304 123.7849 61.7426 72.0973 172.9919 56 K 4.9712 8.7037 125.3736 54.8195 34.9278 175.3392 57 T 4.7235 8.4252 112.3313 59.6141 72.2404 173.7649 58 D 4.5174 8.8530 120.8999 57.3915 40.8024 178.4506 59 K 4.2873 7.9593 116.3168 58.0390 33.0246 176.5467 60 Q 4.6036 8.0906 114.8925 54.8438 31.5427 172.5910 61 E 5.0678 8.6260 117.8873 54.5065 32.0488 175.2609 62 A 4.8512 9.1531 126.1540 50.2603 22.0824 174.6746 63 Y 5.0397 8.5287 118.1859 56.1363 41.5474 175.0525 64 V 4.2431 8.6944 124.0904 61.6816 33.3128 174.9803 65 L 5.4412 8.3301 126.9205 53.4591 45.0409 175.2075 66 S 4.6230 8.5008 112.4977 57.0763 66.5074 174.8191 67 E 4.1273 8.8065 120.6861 56.8190 29.3852 176.6592 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 5 H 8.44 4.85 0.00 3.17 3.34 0.00 5.74 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.74 4.56 0.00 3.01 2.85 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 7 F 7.24 4.20 0.00 2.74 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 8 E 7.38 3.84 0.00 1.82 1.50 0.00 0.00 0.00 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 2.23 0.00 9 G 8.22 3.73 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 0.00 0.00 0.00 10 T 7.81 3.83 4.32 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 11 E 8.53 4.60 0.00 2.05 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 2.19 2.25 0.00 12 K 8.25 4.56 0.00 1.74 1.74 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.37 7.81 13 L 8.36 4.69 0.00 1.53 1.50 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.52 4.70 0.00 1.58 1.49 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.70 4.54 0.00 1.94 1.83 0.00 0.00 0.00 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 2.27 0.00 16 V 8.28 4.36 1.89 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 0.14 0.00 0.00 0.88 0.00 0.00 17 W 8.67 4.59 0.00 3.15 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 18 F 8.79 4.96 0.00 3.07 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 19 S 8.43 4.84 0.00 4.00 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 *29 S 8.12 4.29 0.00 4.01 4.06 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 30 G 8.54 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 31 D 7.84 4.67 0.00 2.60 2.47 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 0.00 0.00 0.00 0.00 32 L 8.62 4.10 0.00 1.81 1.85 1.10 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.50 4.38 0.00 1.97 2.19 0.00 3.19 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.63 0.00 34 T 7.54 4.11 4.22 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 0.00 0.00 0.00 1.25 0.00 0.00 35 I 7.34 3.54 1.76 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.47 -0.34 0.00 0.00 36 P 0.00 4.42 0.00 2.16 2.13 0.00 3.48 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 1.90 1.85 0.00 37 R 8.91 4.17 0.00 2.10 2.08 0.00 3.45 0.00 0.00 3.63 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.02 0.00 38 S 8.04 4.18 0.00 4.07 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 39 E 8.05 3.88 0.00 1.64 1.69 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 2.15 2.24 0.00 40 W 7.79 4.52 0.00 3.42 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.38 4.42 0.00 2.91 2.76 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 42 I 7.42 3.68 1.99 0.00 0.00 0.83 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 0.60 0.90 0.00 0.00 43 L 8.17 4.13 0.00 1.84 2.08 1.14 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.37 4.17 0.00 1.75 1.82 0.85 0.89 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 45 K 8.04 3.96 0.00 2.06 2.03 0.00 1.53 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.55 7.81 46 D 7.63 4.44 0.00 2.90 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 47 V 7.58 3.81 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 0.88 0.00 0.00 1.00 0.00 0.00 48 Q 8.58 3.65 0.00 2.32 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.41 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 49 C 8.28 5.14 0.00 3.13 2.90 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 50 S 8.72 4.73 0.00 3.92 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 51 I 8.37 4.60 1.96 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.55 1.14 0.00 0.00 52 I 8.63 4.52 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.67 0.92 0.00 0.00 53 S 7.74 4.68 0.00 3.87 3.66 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 54 V 8.21 4.56 1.96 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 0.45 0.00 0.00 0.93 0.00 0.00 55 T 8.83 4.58 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 1.15 0.00 0.00 56 K 8.70 4.97 0.00 1.56 1.65 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 3.41 0.00 0.00 0.00 0.00 1.37 1.28 7.81 57 T 8.43 4.72 4.23 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 1.18 0.00 0.00 58 D 8.85 4.52 0.00 2.67 2.79 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 59 K 7.96 4.29 0.00 1.74 1.87 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.43 7.81 60 Q 8.09 4.60 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 61 E 8.63 5.07 0.00 1.91 1.71 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 2.16 2.29 0.00 62 A 9.15 4.85 1.13 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 63 Y 8.53 5.04 0.00 2.62 2.76 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 64 V 8.69 4.24 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 0.95 0.00 0.00 0.92 0.00 0.00 65 L 8.33 5.44 0.00 1.55 1.57 0.87 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.50 4.62 0.00 3.88 3.91 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 0.00 0.00 0.00 67 E 8.81 4.13 0.00 2.12 1.88 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 2.42 2.39 0.00 * Residues marked with a * may have inaccurate shift predictions.