NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 E 4.2865 8.2876 121.4609 56.1548 31.5905 177.3151 20 I 3.5338 7.6381 111.9440 61.5236 37.6561 173.5533 21 D 4.6072 7.5761 121.0063 52.5095 44.3113 176.4294 22 Y 4.4344 7.0011 121.9283 58.9827 38.8307 177.0961 23 K 4.2972 8.2185 118.3437 58.4227 33.3766 176.9915 24 D 4.8621 8.2228 119.6239 55.9920 41.3631 178.3469 25 I 3.3065 8.0538 120.4130 63.1939 37.9412 176.0080 26 A 3.9421 8.0195 120.8782 56.3029 18.4278 179.0479 27 T 3.8098 8.9552 114.4087 66.6197 68.5336 176.4259 28 L 4.3503 8.0964 119.8702 58.2190 41.9642 179.6025 29 K 3.9119 8.6022 118.5824 60.0251 31.8503 178.4245 30 N 4.1933 8.1522 115.4517 55.2989 39.9563 175.1677 31 Y 4.8557 8.4043 116.5553 55.8991 37.6989 176.7667 32 I 4.5605 7.8119 118.6152 60.2503 39.2855 175.4595 33 T 3.8260 7.9146 119.8166 60.1927 68.5575 174.2212 34 E 3.8460 8.7757 123.3617 58.4240 29.6485 178.2867 35 S 4.5245 8.5317 112.3799 59.9717 64.6024 173.8991 36 G 3.6617 6.9128 109.5516 45.4892 0.0000 173.0118 37 K 4.6733 7.9633 118.7458 53.7441 35.5966 175.1547 38 I 3.8162 8.3455 114.0710 61.8867 37.7039 175.2023 39 V 4.2653 7.7775 123.9743 60.8750 32.7821 176.3053 40 P 4.7383 0.0000 0.0000 62.8099 32.7672 176.4617 41 S 4.5488 8.8182 114.1132 61.1262 64.4093 176.6214 42 R 3.9898 8.0368 118.4434 58.0684 29.9546 176.8849 43 I 4.3886 7.6807 116.4502 61.5809 39.0034 176.0757 44 T 4.5853 8.0169 110.1409 60.7219 69.1240 174.3996 45 G 4.0252 8.6579 106.7631 46.8179 0.0000 173.8007 46 T 3.7207 7.5202 107.5807 61.3770 69.1110 173.3740 47 R 3.8426 9.0033 123.7351 56.3203 30.3270 176.8420 48 A 3.9229 8.7304 126.2043 55.4121 18.5053 178.6370 49 K 3.6817 7.9335 117.1009 60.1761 31.8237 177.8101 50 Y 4.4304 7.4923 115.7533 60.4152 38.2192 177.1450 51 Q 3.9378 8.5290 120.8316 58.6393 28.7954 178.2053 52 R 4.5592 7.3824 115.1960 56.8073 32.5264 177.6589 53 Q 4.1795 7.6506 116.9160 58.7841 28.6260 176.9029 54 L 4.7828 10.4322 121.9591 55.5411 42.8241 178.9940 55 A 3.9506 7.4772 118.1495 55.3003 18.9328 179.9077 56 R 4.0482 7.1622 112.7692 58.6985 30.3561 178.3421 57 A 4.3949 8.8273 121.7841 54.6020 19.3219 179.5196 58 I 3.5350 7.3250 117.2461 64.7622 37.1545 177.6374 59 K 3.8743 8.6228 117.9780 60.3654 32.0578 179.6906 60 R 3.3776 8.2682 115.1706 59.1615 30.0864 178.3747 61 A 3.9485 8.0120 119.6949 55.7561 18.5325 179.6742 62 R 3.9798 7.7017 116.2042 58.4008 30.3095 177.7430 63 Y 4.4992 8.3270 116.1340 59.6287 38.3189 177.2284 64 L 4.3802 7.9204 117.4138 54.6775 41.2635 178.6505 65 S 4.0359 7.8758 111.8804 58.6257 62.4066 171.9990 66 L 4.0460 7.3759 120.2025 57.4595 41.5206 177.3386 67 L 4.6056 7.4515 117.5430 52.8933 43.7401 175.5112 68 P 5.1145 0.0000 0.0000 62.3229 33.3331 174.9327 69 Y 4.6946 8.6740 114.4323 59.6043 40.9806 175.3992 70 T 4.8391 7.3561 110.2051 60.6179 70.6295 176.8553 71 D 4.7245 9.1855 116.6609 54.1359 43.7104 176.1463 72 R 4.0539 8.2441 116.6469 57.7625 30.5124 176.1539 73 H 4.2373 7.8188 113.9489 56.9639 34.2925 175.2247 *74 Q 4.1415 8.5938 119.3500 56.2357 28.6453 170.9908 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 19 E 8.29 4.29 0.00 1.96 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 2.32 2.25 0.00 20 I 7.64 3.53 1.84 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 1.22 0.73 0.93 0.00 0.00 21 D 7.58 4.61 0.00 2.44 2.36 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.00 4.43 0.00 3.05 3.09 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 0.00 0.00 0.00 23 K 8.22 4.30 0.00 2.10 2.32 0.00 1.39 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.70 7.81 24 D 8.22 4.86 0.00 2.75 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.05 3.31 1.91 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 1.48 0.65 0.99 0.00 0.00 26 A 8.02 3.94 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.96 3.81 4.31 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 28 L 8.10 4.35 0.00 1.76 1.82 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.60 3.91 0.00 1.98 1.91 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.73 7.81 30 N 8.15 4.19 0.00 2.03 2.52 0.00 0.00 6.90 7.43 0.00 0.00 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 Y 8.40 4.86 0.00 3.05 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 32 I 7.81 4.56 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.99 0.94 0.00 0.00 33 T 7.91 3.83 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 1.28 0.00 0.00 34 E 8.78 3.85 0.00 2.00 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 0.00 2.33 2.33 0.00 35 S 8.53 4.52 0.00 3.99 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 36 G 6.91 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 0.00 0.00 0.00 37 K 7.96 4.67 0.00 1.92 1.91 0.00 1.55 0.00 0.00 1.89 0.00 0.00 3.16 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.41 7.81 38 I 8.35 3.82 1.83 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 1.22 0.47 0.90 0.00 0.00 39 V 7.78 4.27 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 0.82 0.00 0.00 1.03 0.00 0.00 40 P 0.00 4.74 0.00 2.07 1.92 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 41 S 8.82 4.55 0.00 4.00 4.09 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 0.00 0.00 0.00 42 R 8.04 3.99 0.00 1.83 2.08 0.00 3.19 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 43 I 7.68 4.39 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.86 0.94 0.00 0.00 44 T 8.02 4.59 4.34 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 1.25 0.00 0.00 45 G 8.66 4.03 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 0.00 0.00 0.00 46 T 7.52 3.72 4.33 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 0.00 0.00 1.36 0.00 0.00 47 R 9.00 3.84 0.00 2.19 1.98 0.00 3.26 0.00 0.00 3.07 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.92 0.00 48 A 8.73 3.92 1.29 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 0.00 0.00 49 K 7.93 3.68 0.00 1.57 1.38 0.00 0.75 0.00 0.00 1.48 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.29 7.81 50 Y 7.49 4.43 0.00 3.17 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 51 Q 8.53 3.94 0.00 2.16 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 52 R 7.38 4.56 0.00 1.80 1.91 0.00 3.19 0.00 0.00 3.20 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.73 0.00 53 Q 7.65 4.18 0.00 2.41 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.78 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 54 L 10.43 4.78 0.00 1.77 1.50 0.69 0.64 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 55 A 7.48 3.95 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 R 7.16 4.05 0.00 1.99 2.02 0.00 3.30 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.89 0.00 57 A 8.83 4.39 1.30 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 0.00 0.00 0.00 58 I 7.32 3.54 1.92 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.67 0.89 0.00 0.00 59 K 8.62 3.87 0.00 1.55 1.65 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.13 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.63 7.81 60 R 8.27 3.38 0.00 2.15 1.80 0.00 3.43 0.00 0.00 3.45 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 61 A 8.01 3.95 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.70 3.98 0.00 1.89 1.17 0.00 2.94 0.00 0.00 2.65 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 63 Y 8.33 4.50 0.00 3.12 3.04 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 0.00 0.00 0.00 64 L 7.92 4.38 0.00 1.62 1.61 0.63 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.88 4.04 0.00 4.16 4.12 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 0.00 0.00 0.00 0.00 66 L 7.38 4.05 0.00 1.71 1.77 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.45 4.61 0.00 1.67 1.54 0.99 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 5.11 0.00 2.28 2.08 0.00 3.63 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 69 Y 8.67 4.69 0.00 2.82 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 70 T 7.36 4.84 4.28 0.00 0.00 0.00 0.00 0.00 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 71 D 9.19 4.72 0.00 2.84 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.24 4.05 0.00 1.84 1.97 0.00 3.38 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 73 H 7.82 4.24 0.00 3.22 3.23 0.00 5.65 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *74 Q 8.59 4.14 0.00 1.82 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.65 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.