NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3457 8.2649 123.5792 51.7688 20.1404 176.8020 2 D 4.3486 8.5239 119.6620 55.6248 42.1144 171.1072 3 V 4.7073 8.4490 118.7952 60.9523 34.4964 174.5765 4 I 4.3730 8.6601 128.8350 59.3651 40.0005 174.3889 5 L 4.8171 8.1876 126.1939 53.1254 43.5301 175.9667 6 F 5.0303 8.9685 123.3986 55.0418 40.6493 173.4109 7 P 4.7816 0.0000 0.0000 62.9134 32.1900 176.2362 8 S 4.6735 8.3730 115.3731 57.0336 65.2123 175.3064 9 K 4.1535 8.7158 125.2369 58.3691 32.0132 177.2050 10 N 4.6869 7.8138 116.3768 52.7976 39.0476 174.0722 11 G 4.1196 8.0157 105.5421 44.3258 0.0000 174.2098 12 A 4.4491 8.8373 125.2667 52.2922 19.9699 176.0990 13 V 4.8419 8.9128 120.9381 60.6928 34.1810 174.5357 14 T 4.7484 8.6942 124.6633 62.2118 69.8295 173.7612 15 F 5.0647 9.1376 130.9148 56.5812 41.3419 175.6533 16 T 4.0898 8.2222 119.8383 60.1478 65.8140 173.8847 17 H 3.1065 7.3098 127.3601 59.9242 30.5593 175.5825 18 K 3.9440 7.9688 120.8304 59.5206 32.0321 178.5994 19 R 4.1870 7.8677 119.7879 59.3237 29.8471 177.9036 20 H 4.2818 8.5436 115.8037 58.7858 28.4641 177.3515 21 S 4.4866 7.9543 115.3009 60.2485 62.7526 175.4160 22 E 4.1070 8.5443 121.7336 57.5228 29.1542 177.7466 23 F 4.5941 8.0902 115.5047 56.9544 41.4101 175.2590 24 V 4.3570 7.9940 120.6385 60.6608 32.4057 175.0985 25 R 4.0592 8.9457 128.3003 58.6809 30.5362 176.2550 26 E 4.8190 7.8447 116.3244 54.3470 32.1692 176.7757 27 C 4.2880 8.7182 120.3791 62.9001 28.3611 176.0505 28 R 4.1415 8.0922 119.1562 58.9974 29.7923 178.2593 29 S 4.1621 7.8578 112.7987 60.8125 62.9133 174.6575 30 C 4.8476 7.7094 115.1488 59.4504 30.2704 173.6312 31 H 4.9111 8.2100 115.6832 53.7765 30.5104 173.9332 32 E 4.4400 8.4409 120.8112 55.1698 30.7186 177.0566 33 K 3.9707 8.6740 118.6845 59.7983 31.9910 177.4666 34 T 4.4814 7.5964 114.4555 60.8758 69.5858 172.8217 35 P 4.1336 0.0000 0.0000 61.5289 32.0985 176.8129 36 G 3.8980 7.8626 108.2814 45.8157 0.0000 171.8492 37 K 3.8736 8.4484 118.8520 56.7949 32.7129 176.5304 38 I 4.2196 7.9814 123.5587 59.6516 37.7936 176.4217 39 R 3.9144 8.8272 125.8614 59.1411 29.9035 177.7941 40 N 4.8526 7.7631 111.9828 52.3073 37.8330 174.6248 41 F 3.7195 8.0594 121.3241 57.9959 40.1956 175.3908 42 G 3.5941 6.9034 112.3856 44.9696 0.0000 171.7495 43 K 3.4527 8.0272 119.1553 59.8319 31.9063 179.1987 44 D 4.2202 7.8179 118.0813 57.5398 40.7786 178.0644 45 Y 3.8377 7.7815 119.0876 60.5796 38.6740 177.8730 46 A 3.6291 7.9030 121.9036 55.4618 18.1980 179.4230 47 H 4.1659 8.3601 114.9497 58.2701 28.5367 178.0984 48 K 3.7751 7.6364 121.6905 59.3095 32.1945 178.9099 49A T 3.5544 7.4132 110.0054 64.7306 68.9020 176.1157 *51 C 4.2604 7.7882 119.0203 58.8835 30.4696 176.0894 52 K 3.9607 7.8232 119.9879 59.2819 31.7638 179.1539 53 G 3.8220 7.4241 107.0376 47.4309 0.0000 175.1833 54 C 4.1352 7.8709 121.4600 62.3795 31.5808 175.2263 55 H 4.9079 7.8826 119.0622 58.3071 28.0213 177.4167 56 E 3.9180 8.1522 120.4375 59.3289 29.6359 179.0078 57 V 3.7671 7.6146 117.8452 64.6841 30.2569 177.9389 58 R 4.2611 8.5017 117.9331 55.9741 29.8826 178.0986 59 G 3.8646 8.0731 105.8753 45.6150 0.0000 173.1028 60 A 4.5433 7.4875 120.8138 51.0098 22.1602 177.5187 61 G 3.8647 8.5985 106.0448 44.5718 0.0000 171.6575 62 P 4.4605 0.0000 0.0000 62.5755 32.0374 176.3168 63 T 4.5153 8.2822 109.6827 61.6078 71.0982 174.5539 64 K 4.1657 7.9461 122.4986 55.9922 32.8576 176.8010 65 C 3.8210 8.8588 122.2095 63.3124 28.1959 176.4367 66 K 4.4060 7.8077 115.9997 58.2140 32.4589 177.5568 67 L 4.3066 7.8732 118.8580 55.8420 42.2388 176.6290 68 C 4.6263 8.0742 117.8814 60.9822 33.7170 173.0085 69 H 4.8838 8.3884 119.7791 54.8678 26.6286 175.4524 70 T 4.3635 7.8859 111.3437 62.1507 70.1337 176.2083 71 G 3.7771 8.3800 116.5801 45.8865 0.0000 173.2202 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 1 A 8.26 4.35 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 2 D 8.52 4.35 0.00 2.74 2.69 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 3 V 8.45 4.71 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 0.76 0.00 0.00 0.88 0.00 0.00 4 I 8.66 4.37 1.68 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.61 0.25 0.00 0.00 5 L 8.19 4.82 0.00 1.43 1.54 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 6 F 8.97 5.03 0.00 3.06 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 7 P 0.00 4.78 0.00 2.01 2.04 0.00 3.86 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 8 S 8.37 4.67 0.00 3.93 3.93 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 9 K 8.72 4.15 0.00 1.78 1.85 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.44 7.81 10 N 7.81 4.69 0.00 2.58 2.46 0.00 0.00 7.34 8.01 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 11 G 8.02 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 0.00 0.00 0.00 12 A 8.84 4.45 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 13 V 8.91 4.84 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 1.00 0.00 0.00 14 T 8.69 4.75 4.30 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 1.23 0.00 0.00 15 F 9.14 5.06 0.00 3.27 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 16 T 8.22 4.09 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 1.21 0.00 0.00 17 H 7.31 3.11 0.00 2.74 3.37 0.00 5.75 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.97 3.94 0.00 1.99 1.73 0.00 1.54 0.00 0.00 1.53 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.46 7.81 19 R 7.87 4.19 0.00 1.93 2.10 0.00 3.33 0.00 0.00 3.34 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 20 H 8.54 4.28 0.00 3.53 3.54 0.00 5.86 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 7.95 4.49 0.00 4.03 3.92 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 22 E 8.54 4.11 0.00 1.75 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.42 0.00 23 F 8.09 4.59 0.00 3.11 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 24 V 7.99 4.36 2.28 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 0.89 0.00 0.00 1.11 0.00 0.00 25 R 8.95 4.06 0.00 1.81 1.98 0.00 3.30 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 26 E 7.84 4.82 0.00 2.08 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 2.32 2.32 0.00 27 C 8.72 4.29 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 28 R 8.09 4.14 0.00 1.93 1.98 0.00 3.44 0.00 0.00 3.38 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 29 S 7.86 4.16 0.00 4.15 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 30 C 7.71 4.85 0.00 2.84 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 31 H 8.21 4.91 0.00 3.33 3.26 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 32 E 8.44 4.44 0.00 1.99 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 2.34 2.29 0.00 33 K 8.67 3.97 0.00 1.75 1.93 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.53 7.81 34 T 7.60 4.48 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 1.20 0.00 0.00 35 P 0.00 4.13 0.00 1.96 1.78 0.00 3.79 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 2.01 2.06 0.00 36 G 7.86 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 0.00 0.00 0.00 37 K 8.45 3.87 0.00 1.74 1.74 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.45 7.81 38 I 7.98 4.22 1.64 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.91 0.57 0.00 0.00 39 R 8.83 3.91 0.00 1.78 2.01 0.00 3.19 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 40 N 7.76 4.85 0.00 2.78 2.87 0.00 0.00 5.95 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 41 F 8.06 3.72 0.00 2.82 2.87 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 42 G 6.90 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.03 3.45 0.00 1.68 1.69 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.15 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.27 1.23 7.81 44 D 7.82 4.22 0.00 2.66 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 45 Y 7.78 3.84 0.00 2.96 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 46 A 7.90 3.63 0.98 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 0.00 0.00 47 H 8.36 4.17 0.00 3.12 3.26 0.00 5.63 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.64 3.78 0.00 1.74 1.82 0.00 1.44 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.31 7.81 49A T 7.41 3.55 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 0.48 0.00 0.00 *51 C 7.79 4.26 0.00 3.01 2.88 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 52 K 7.82 3.96 0.00 1.70 2.01 0.00 1.52 0.00 0.00 1.55 0.00 0.00 3.14 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.42 7.81 53 G 7.42 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 C 7.87 4.14 0.00 3.02 2.91 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 55 H 7.88 4.91 0.00 3.33 3.48 0.00 5.70 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 56 E 8.15 3.92 0.00 2.03 2.14 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 2.31 2.35 0.00 57 V 7.61 3.77 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 0.89 0.00 0.00 0.94 0.00 0.00 58 R 8.50 4.26 0.00 1.96 2.03 0.00 3.26 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 59 G 8.07 3.86 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 0.00 0.00 0.00 60 A 7.49 4.54 1.16 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 61 G 8.60 3.86 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 0.00 0.00 0.00 62 P 0.00 4.46 0.00 2.21 2.06 0.00 3.50 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 63 T 8.28 4.52 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 1.27 0.00 0.00 64 K 7.95 4.17 0.00 1.85 1.77 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.45 7.81 65 C 8.86 3.82 0.00 2.99 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 66 K 7.81 4.41 0.00 1.88 1.96 0.00 1.18 0.00 0.00 2.37 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.43 7.81 67 L 7.87 4.31 0.00 1.82 1.76 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 68 C 8.07 4.63 0.00 2.95 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 69 H 8.39 4.88 0.00 3.39 3.42 0.00 5.66 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.89 4.36 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 1.25 0.00 0.00 71 G 8.38 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 * Residues marked with a * may have inaccurate shift predictions.