NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.0713 8.0544 120.4038 63.5191 31.8340 174.1621 4 S 4.4397 8.0654 118.9760 57.5158 64.7773 174.2534 5 L 4.4126 8.5850 124.7463 55.6502 43.2933 177.3567 6 S 4.5434 8.1489 111.6569 59.0029 64.5214 173.6956 7 Y 4.6326 7.9378 121.5672 55.7405 39.6603 174.4213 8 R 4.3801 7.1600 121.4208 54.3728 32.0324 175.1911 9 C 4.3591 8.1811 115.8087 55.9646 40.7729 173.4978 10 P 3.9386 0.0000 0.0000 64.6758 31.2858 176.8233 11 C 4.5031 7.1453 117.6056 54.9004 41.2223 173.7879 12 R 3.8081 8.2917 126.0956 58.9207 30.0163 175.3665 13 F 4.4833 6.4419 109.7010 56.3067 40.0566 172.3826 14 F 4.8245 8.8369 118.4473 55.6645 41.9328 174.7443 15 E 4.4811 9.4191 125.7848 55.8236 29.6372 177.0351 16 S 4.6382 8.7215 117.6326 58.5852 63.6564 174.0353 17 H 4.8955 8.0131 116.6698 55.7502 28.8829 174.0838 18 V 3.9738 7.8498 119.8699 62.0882 32.2919 175.2137 19 A 4.4611 8.2636 129.6582 50.3760 20.2642 177.6020 20 R 2.5100 7.0967 120.7222 58.8135 29.9263 178.3727 21 A 3.9992 7.4446 118.3797 53.9303 18.7138 177.4943 22 N 4.5654 8.1599 113.1696 53.7877 39.2811 175.1691 23 V 4.4450 6.9498 112.1883 60.2080 32.9133 175.3319 24 K 4.3467 9.2360 126.7772 58.3470 32.9330 175.8904 25 H 5.1033 8.0321 118.3542 54.3471 33.9224 171.3111 26 L 5.1359 8.3156 124.2502 53.7263 44.9051 175.1181 27 K 4.8251 9.4389 125.1416 54.6941 36.6526 175.0664 28 I 4.6732 8.3209 123.3138 60.0744 38.6399 175.1538 29 L 4.3828 9.2541 128.7363 53.3677 42.9093 176.6084 30 N 5.3699 8.3583 121.9706 51.9249 39.2133 173.0707 31 T 4.6195 7.4464 111.3038 58.7712 71.5701 173.2627 32 P 4.3132 0.0000 0.0000 64.7887 31.6114 175.9594 33 N 4.3991 9.0995 118.1033 54.1072 36.0113 174.4577 34 C 5.0889 7.9302 113.8347 54.5433 43.6367 174.1405 35 A 4.2559 8.4358 125.0959 51.8443 18.6422 177.4986 36 L 4.3396 8.4527 120.3785 55.7204 42.0900 176.8571 37 Q 4.8105 9.0679 121.8185 54.1477 33.4831 174.1457 38 I 4.8661 8.3229 121.5511 59.6953 39.8416 174.7959 39 V 4.9708 8.7851 126.1321 61.1670 34.8081 174.0736 40 A 5.1596 9.1264 127.3829 50.4965 23.4094 174.5151 41 R 4.9570 8.5333 119.4676 54.7334 32.3929 175.3179 42 L 4.8973 8.8520 126.1987 53.7018 43.0004 178.0584 43 K 3.9722 9.3185 122.6291 58.9664 32.0325 177.7708 44 N 4.8032 8.3039 115.4743 54.1321 40.6215 175.1180 45 N 4.4796 8.1209 112.5602 52.4238 38.1783 174.7896 46 N 4.3045 7.9509 115.9314 54.3403 38.4111 173.9188 47 R 4.1550 8.3370 115.7476 56.1480 31.4317 175.1457 48 Q 5.0769 8.5192 123.4006 54.7314 30.6120 175.0049 49 V 4.5265 8.8977 118.8944 59.7702 36.8057 173.8378 50 C 5.0409 8.4224 120.0098 56.5755 41.8172 172.4776 51 I 4.9684 8.3278 124.0663 59.1663 39.0561 174.8151 52 D 4.3048 8.7674 127.1586 54.1163 41.4054 175.6317 53 P 4.1658 0.0000 0.0000 64.8196 31.4989 177.6344 54 K 3.9715 7.7844 117.7269 58.5702 33.0224 177.4617 55 L 3.9147 7.4550 121.4727 54.6153 41.7007 177.9481 56 K 3.8694 8.8690 123.8563 59.2911 32.1987 179.2210 57 W 4.4126 8.1490 116.0109 59.1562 27.7698 178.2084 58 I 3.3031 6.9482 121.3711 64.1593 36.3577 177.5412 59 Q 3.9312 7.5568 119.9166 59.4550 28.7509 178.4106 60 E 3.9470 8.2144 119.3946 59.3611 29.7301 177.7594 61 Y 4.0370 8.1211 119.3025 60.8426 38.9146 178.2470 62 L 4.2017 8.5108 122.2238 58.5469 41.5295 179.8429 63 E 4.0017 8.4774 118.5296 61.0409 29.3633 180.8331 64 K 3.9803 8.1870 119.6984 59.4666 32.3887 178.5924 65 A 4.0450 7.9138 119.3837 54.4324 18.3543 178.6372 66 L 4.3023 7.8370 117.6684 56.2665 42.3207 177.1822 *67 N 4.5393 7.4837 120.7989 52.4137 38.3334 179.6051 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 3 V 8.05 4.07 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 0.97 0.00 0.00 0.95 0.00 0.00 4 S 8.07 4.44 0.00 4.01 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 5 L 8.59 4.41 0.00 1.67 1.72 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.15 4.54 0.00 4.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.94 4.63 0.00 2.93 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 8 R 7.16 4.38 0.00 1.74 1.70 0.00 3.01 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.47 0.00 9 C 8.18 4.36 0.00 2.93 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 10 P 0.00 3.94 0.00 2.11 2.13 0.00 3.78 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.97 0.00 11 C 7.15 4.50 0.00 2.83 2.24 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 0.00 12 R 8.29 3.81 0.00 1.69 1.89 0.00 3.43 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.65 0.00 13 F 6.44 4.48 0.00 3.09 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 14 F 8.84 4.82 0.00 3.06 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 15 E 9.42 4.48 0.00 2.08 1.98 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 2.27 2.38 0.00 16 S 8.72 4.64 0.00 3.91 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 17 H 8.01 4.90 0.00 3.19 3.38 0.00 5.89 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.85 3.97 2.32 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 0.93 0.00 0.00 1.03 0.00 0.00 19 A 8.26 4.46 1.15 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 0.00 0.00 20 R 7.10 2.51 0.00 0.67 1.41 0.00 3.25 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 0.00 21 A 7.44 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 N 8.16 4.57 0.00 2.76 2.82 0.00 0.00 6.79 7.29 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 23 V 6.95 4.45 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 0.56 0.00 0.00 0.81 0.00 0.00 24 K 9.24 4.35 0.00 1.72 1.93 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.40 7.81 25 H 8.03 5.10 0.00 3.22 3.07 0.00 5.69 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.32 5.14 0.00 1.57 1.50 0.86 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 27 K 9.44 4.83 0.00 1.80 1.67 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.77 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.34 1.25 7.81 28 I 8.32 4.67 1.90 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 1.36 0.57 0.92 0.00 0.00 29 L 9.25 4.38 0.00 1.67 1.60 0.91 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.36 5.37 0.00 2.61 2.69 0.00 0.00 7.11 7.70 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 31 T 7.45 4.62 4.44 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 1.27 0.00 0.00 32 P 0.00 4.31 0.00 1.90 2.00 0.00 3.90 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.09 0.00 33 N 9.10 4.40 0.00 3.02 3.02 0.00 0.00 6.87 7.66 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 34 C 7.93 5.09 0.00 3.15 2.97 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 35 A 8.44 4.26 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 36 L 8.45 4.34 0.00 1.51 1.64 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 9.07 4.81 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.78 0.00 0.00 0.00 0.00 0.00 2.64 2.53 0.00 38 I 8.32 4.87 1.83 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 1.16 0.82 0.84 0.00 0.00 39 V 8.79 4.97 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 1.01 0.00 0.00 0.91 0.00 0.00 40 A 9.13 5.16 1.27 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 0.00 0.00 0.00 41 R 8.53 4.96 0.00 1.99 1.80 0.00 3.12 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 42 L 8.85 4.90 0.00 1.78 1.55 1.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 43 K 9.32 3.97 0.00 1.68 1.86 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.47 1.43 7.81 44 N 8.30 4.80 0.00 2.67 2.82 0.00 0.00 6.88 8.00 0.00 0.00 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 N 8.12 4.48 0.00 2.81 2.93 0.00 0.00 5.94 8.04 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 46 N 7.95 4.30 0.00 2.79 2.91 0.00 0.00 7.18 8.13 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 47 R 8.34 4.16 0.00 1.91 1.83 0.00 3.16 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 48 Q 8.52 5.08 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.79 0.00 0.00 0.00 0.00 0.00 2.21 2.48 0.00 49 V 8.90 4.53 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 0.69 0.00 0.00 0.95 0.00 0.00 50 C 8.42 5.04 0.00 2.64 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 8.33 4.97 1.85 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.62 0.82 0.00 0.00 52 D 8.77 4.30 0.00 2.90 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.17 0.00 1.99 1.92 0.00 3.22 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.40 0.00 54 K 7.78 3.97 0.00 1.82 1.86 0.00 1.57 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.61 1.33 7.81 55 L 7.45 3.91 0.00 1.20 1.17 1.05 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.87 3.87 0.00 1.88 1.91 0.00 1.68 0.00 0.00 1.86 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.56 7.81 57 W 8.15 4.41 0.00 3.63 3.37 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 58 I 6.95 3.30 1.60 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 -0.36 0.69 0.00 0.00 59 Q 7.56 3.93 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 60 E 8.21 3.95 0.00 2.25 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 2.38 1.94 0.00 61 Y 8.12 4.04 0.00 3.48 3.23 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 0.00 62 L 8.51 4.20 0.00 2.10 1.75 1.08 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.48 4.00 0.00 1.96 1.97 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 2.25 2.20 0.00 64 K 8.19 3.98 0.00 1.75 1.95 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.40 7.81 65 A 7.91 4.05 1.33 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 0.00 0.00 0.00 66 L 7.84 4.30 0.00 1.85 1.73 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 *67 N 7.48 4.54 0.00 2.55 2.63 0.00 0.00 6.82 7.44 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 * Residues marked with a * may have inaccurate shift predictions.