NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9481 8.3549 109.7384 45.1399 0.0000 174.7129 3 K 3.9498 8.6375 124.6790 55.2940 32.8139 170.6906 4 V 4.5583 8.6305 121.4375 61.3811 35.5802 173.4999 5 Y 4.9865 8.8098 123.6989 56.0157 41.1147 174.6964 6 K 4.5108 8.2150 122.8996 54.4759 35.3224 174.7495 7 K 5.0149 8.5098 124.8726 54.7145 34.4665 175.8090 8 V 4.5147 8.8628 118.2513 59.4565 35.0776 174.4809 9 E 4.9454 8.8047 125.3865 55.3195 30.2395 175.0385 10 L 4.8753 9.1183 127.4642 52.8644 45.5083 175.9501 11 V 4.7084 8.3543 120.8682 61.2811 33.5007 174.9158 12 G 4.5192 9.0282 116.1962 44.6472 0.0000 172.0901 13 T 5.4053 8.0789 112.4639 60.1215 72.2942 172.9307 14 S 4.6635 8.6740 114.6342 57.9808 66.0638 175.4955 15 E 4.6396 8.9812 123.5152 56.6008 30.1036 177.4928 16 E 4.2241 8.5669 119.2622 57.0502 30.3483 176.4593 17 G 3.4183 7.1574 104.4579 44.2228 0.0000 173.5836 18 L 3.7719 7.3534 118.1477 57.8215 41.4590 179.4614 19 E 3.9036 8.0294 117.7949 59.3555 29.3742 179.1497 20 A 3.9247 7.8950 120.0588 54.9523 18.5495 179.3418 21 A 4.0812 7.8241 118.8023 55.3644 18.5067 179.8596 22 I 3.4954 7.7027 118.2055 64.7709 37.1286 178.8028 23 Q 3.9206 8.3255 118.7886 58.6676 28.4808 178.7403 24 A 3.9371 8.1811 121.8937 54.9860 18.3861 179.5608 25 A 3.8847 7.8023 118.7669 55.3999 18.5886 179.7849 26 L 3.8889 7.8373 117.2445 57.5850 41.3924 179.5389 27 A 3.9584 8.0797 120.6552 55.1097 18.7295 179.3867 28 R 3.9165 7.9656 116.8943 59.3792 30.1982 178.4331 29 A 3.9436 8.0133 120.9521 55.1290 18.2086 179.3441 30 R 4.0520 7.7257 111.7906 57.9111 29.7939 178.5425 31 K 4.1490 7.8132 119.3441 58.7358 32.1503 177.4847 32 T 4.5186 7.7045 105.4429 60.4011 70.4137 173.5102 33 L 4.4662 7.7317 122.1005 52.7896 43.9434 176.0502 34 R 4.4097 8.0831 121.2481 55.8670 32.3897 175.0892 35 H 4.1809 8.4648 113.5645 56.9424 25.8704 175.1809 36 L 4.5957 8.1381 118.9744 55.3145 42.2263 175.6969 37 D 5.1482 9.3074 122.5596 55.4152 43.1534 176.0891 38 F 5.2677 7.5842 111.2189 55.4332 41.8138 172.6170 39 F 5.6217 8.3554 112.9442 55.5487 41.3129 173.6365 40 E 4.7300 9.4154 118.9460 54.6517 33.4382 175.0040 41 V 4.2245 8.7282 125.0620 62.9978 31.6647 175.5567 42 K 4.4253 9.2849 127.8691 58.3554 33.3883 176.6566 43 E 4.7673 7.8186 117.6134 55.1740 33.1466 174.0962 44 I 4.9233 8.4468 125.7048 59.8769 39.6651 174.7719 45 R 4.7371 9.3349 126.1293 54.6137 34.8349 174.0055 46 G 4.1621 7.6778 105.8918 47.1653 0.0000 172.0503 47 T 4.8491 7.9303 109.3280 59.8042 71.9913 173.2798 48 I 4.7772 8.2805 122.6523 59.8754 40.0291 175.5598 49 G 4.1288 8.8669 115.0467 44.1987 0.0000 172.0421 50 E 3.8142 9.1065 118.6626 58.9072 29.5602 178.6386 51 A 4.6748 8.0146 118.6779 51.8766 20.7218 176.1000 52 G 3.9733 7.4943 110.0052 45.1934 0.0000 177.7132 53 V 3.8084 8.2888 124.9829 62.6699 31.8206 174.6811 54 K 4.1544 8.9127 129.7216 58.4358 33.2408 175.7477 55 E 4.6581 7.7122 119.2538 54.5195 33.1432 173.4859 56 Y 4.6645 9.2158 125.4238 57.8774 39.7555 174.7200 57 Q 4.8643 9.4148 122.3446 54.3546 32.6524 174.4178 58 V 4.6808 8.8173 125.8922 61.0558 33.7595 174.7260 59 V 4.4322 8.8192 129.7863 62.1530 32.7002 174.4230 60 L 5.2854 9.3245 130.1307 53.3203 45.6047 174.6976 61 E 4.9914 9.3018 125.7516 55.3049 31.3715 175.1001 62 V 4.6350 9.1125 125.4032 61.0593 34.0342 174.2846 63 G 3.6932 8.4272 116.0395 44.1385 0.0000 172.2710 64 F 5.6263 8.5673 118.8447 54.8456 41.9150 173.7199 65 R 4.0050 8.8317 122.0061 56.0698 30.4677 176.0071 66 L 4.4072 8.3536 127.3369 54.3916 42.3819 177.0365 67 E 3.9622 8.8501 122.3843 56.5249 30.3068 175.0190 68 E 3.3141 8.6757 124.9846 57.4827 28.0580 175.3106 *69 T 4.1630 8.2958 116.1229 60.9743 69.2274 171.0528 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 G 8.35 3.95 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 0.00 0.00 0.00 3 K 8.64 3.95 0.00 1.70 1.54 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.57 7.81 4 V 8.63 4.56 1.99 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 1.07 0.00 0.00 0.91 0.00 0.00 5 Y 8.81 4.99 0.00 2.89 2.93 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 0.00 0.00 0.00 6 K 8.22 4.51 0.00 1.48 0.74 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.18 1.27 7.81 7 K 8.51 5.01 0.00 1.67 1.87 0.00 1.99 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.48 7.81 8 V 8.86 4.51 2.16 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 0.85 0.00 0.00 1.07 0.00 0.00 9 E 8.80 4.95 0.00 2.11 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 0.00 2.26 2.36 0.00 10 L 9.12 4.88 0.00 1.56 1.51 0.90 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.35 4.71 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 12 G 9.03 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 5.41 4.26 0.00 0.00 0.00 0.00 0.00 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 14 S 8.67 4.66 0.00 3.95 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 15 E 8.98 4.64 0.00 2.03 1.99 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 2.39 2.30 0.00 16 E 8.57 4.22 0.00 1.96 2.01 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 2.34 2.40 0.00 17 G 7.16 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.35 3.77 0.00 1.55 1.62 0.85 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.03 3.90 0.00 1.99 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 0.00 2.38 2.42 0.00 20 A 7.90 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 21 A 7.82 4.08 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.70 3.50 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.87 0.37 0.00 0.00 23 Q 8.33 3.92 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 24 A 8.18 3.94 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 25 A 7.80 3.88 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.84 3.89 0.00 1.63 1.66 0.65 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.08 3.96 1.32 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 0.00 0.00 0.00 28 R 7.97 3.92 0.00 1.94 2.06 0.00 3.12 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 29 A 8.01 3.94 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 30 R 7.73 4.05 0.00 1.95 2.02 0.00 3.05 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.63 0.00 31 K 7.81 4.15 0.00 1.89 1.87 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.59 7.81 32 T 7.70 4.52 4.17 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 0.00 0.00 0.00 1.16 0.00 0.00 33 L 7.73 4.47 0.00 1.41 0.89 0.43 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.08 4.41 0.00 1.58 1.47 0.00 3.25 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 35 H 8.46 4.18 0.00 3.62 3.47 0.00 5.62 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.14 4.60 0.00 1.66 1.66 0.86 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.31 5.15 0.00 2.86 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 38 F 7.58 5.27 0.00 2.90 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 39 F 8.36 5.62 0.00 3.08 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 40 E 9.42 4.73 0.00 1.99 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 2.26 2.43 0.00 41 V 8.73 4.22 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 0.85 0.00 0.00 1.10 0.00 0.00 42 K 9.28 4.43 0.00 1.76 1.87 0.00 1.85 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.56 7.81 43 E 7.82 4.77 0.00 2.03 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 44 I 8.45 4.92 1.92 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 1.38 0.83 1.00 0.00 0.00 45 R 9.33 4.74 0.00 1.70 1.82 0.00 3.44 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 46 G 7.68 4.16 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 0.00 0.00 0.00 47 T 7.93 4.85 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 48 I 8.28 4.78 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.63 0.91 0.00 0.00 49 G 8.87 4.13 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 0.00 50 E 9.11 3.81 0.00 1.92 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 51 A 8.01 4.67 1.25 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 0.00 0.00 0.00 52 G 7.49 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 0.00 0.00 0.00 53 V 8.29 3.81 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 -0.39 0.00 0.00 0.75 0.00 0.00 54 K 8.91 4.15 0.00 1.89 1.79 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.75 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.34 7.81 55 E 7.71 4.66 0.00 2.02 1.66 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 2.20 2.27 0.00 56 Y 9.22 4.66 0.00 3.07 2.83 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 0.00 0.00 0.00 57 Q 9.41 4.86 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 58 V 8.82 4.68 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 0.94 0.00 0.00 0.95 0.00 0.00 59 V 8.82 4.43 2.11 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 0.89 0.00 0.00 0.95 0.00 0.00 60 L 9.32 5.29 0.00 1.72 1.46 0.96 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.30 4.99 0.00 2.01 1.92 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 2.33 2.45 0.00 62 V 9.11 4.63 2.13 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 1.08 0.00 0.00 0.95 0.00 0.00 63 G 8.43 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 0.00 0.00 0.00 64 F 8.57 5.63 0.00 3.30 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 65 R 8.83 4.00 0.00 1.98 1.84 0.00 3.08 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.87 0.00 66 L 8.35 4.41 0.00 1.54 1.54 0.84 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.85 3.96 0.00 2.00 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 0.00 2.37 2.41 0.00 68 E 8.68 3.31 0.00 2.04 1.94 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 2.19 2.22 0.00 *69 T 8.30 4.16 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 * Residues marked with a * may have inaccurate shift predictions.