NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 G 3.9075 8.3549 109.7367 45.2230 0.0000 173.8574 14 K 4.2877 7.6579 116.9992 53.1786 34.2264 176.4987 15 T 4.3669 8.9263 115.7473 60.2410 72.2874 173.8689 16 P 4.2773 0.0000 0.0000 65.7481 31.2408 179.0781 17 I 3.7452 7.8012 118.3538 64.5030 37.0996 178.5468 18 S 4.1860 7.9374 115.0030 61.1318 62.7961 176.5519 19 L 3.9924 8.3372 123.0973 57.7060 41.3663 179.1911 20 L 4.0051 8.2792 120.6152 57.9387 41.9746 178.6167 21 Q 4.1008 8.3577 119.7059 59.3690 28.5024 178.2962 22 E 3.9802 8.3686 119.4655 59.5081 29.5236 178.7082 23 Y 4.0201 8.5213 119.9602 60.6459 38.9476 178.2992 24 G 4.0518 8.9860 108.7158 47.7621 0.0000 175.4699 25 T 4.0030 7.9923 116.0024 64.7057 67.0298 176.0887 26 R 3.8471 7.5739 119.8558 58.5893 30.2248 176.8854 27 I 4.1514 7.2141 108.5801 60.2327 37.6001 175.6866 28 G 3.8783 7.9517 107.6099 46.9441 0.0000 175.1643 29 K 4.6261 8.3888 116.1042 54.4112 32.7227 176.3393 30 T 4.1661 7.7191 115.6805 62.9234 69.4798 173.0831 31 P 4.5098 0.0000 0.0000 62.8456 32.2110 175.8191 32 V 4.4326 8.3412 123.2556 61.2818 34.4852 173.5609 33 Y 5.2969 8.8569 124.9443 56.4856 40.1654 174.6463 34 D 5.0052 9.2950 123.7085 52.2145 44.0875 174.9837 35 L 2.8455 8.5031 126.2951 54.7545 41.8701 176.0507 36 L 4.3501 8.6492 127.5445 56.6976 42.6915 177.3488 37 K 4.6692 7.6235 115.2945 55.1950 37.1646 175.9406 38 A 4.5077 8.3586 123.9291 51.2543 20.6350 175.1222 39 E 4.3741 10.5752 122.9946 54.9947 32.8615 173.5616 40 G 4.2466 8.5443 106.8701 43.2201 0.0000 173.5043 *44 Q 4.0046 8.2565 120.8805 54.5206 29.1399 173.0550 45 P 4.6401 0.0000 0.0000 63.1631 32.9720 175.5496 46 N 4.9492 8.7958 122.5086 52.5714 42.1653 172.8302 47 F 5.3440 9.4548 125.9838 56.1055 42.2767 175.1293 48 T 5.2101 8.9378 118.9449 61.9870 71.4186 173.0037 49 F 5.2417 9.4827 125.4517 55.5932 42.7308 174.3074 50 R 5.2376 9.1987 123.3328 54.6485 32.6273 175.0243 51 V 4.6401 8.7577 124.9128 60.0732 34.6419 174.4252 52 T 4.8742 8.5896 119.7858 61.9409 71.9381 173.2960 53 V 4.5462 9.0347 126.4183 60.5003 32.9690 177.4085 54 G 3.9014 8.6804 119.9832 46.7470 0.0000 173.8820 55 D 4.5666 9.0656 125.2479 55.0087 41.4425 176.0273 56 T 4.5518 7.7732 117.2741 62.3260 69.9888 173.6783 57 S 5.5691 8.3491 117.8167 58.2741 65.9516 172.6662 58 C 4.7454 8.3755 115.0211 57.9933 32.9446 172.2076 59 T 5.2543 8.5122 115.1793 61.8341 71.3140 173.9686 60 G 4.4217 9.4702 110.8469 44.7208 0.0000 171.4084 61 Q 5.3900 8.4983 119.1173 54.2693 32.5308 174.8452 62 G 4.3457 8.8144 107.3022 44.9932 0.0000 172.5253 63 P 4.8490 0.0000 0.0000 63.4444 31.7270 176.6568 64 S 4.8842 7.7047 113.5450 56.0618 67.2562 174.8656 65 K 3.6347 7.6235 122.0872 59.4321 31.8257 179.5880 66 K 3.6277 7.6680 119.1430 59.2136 32.1471 178.6157 67 A 4.0106 8.1390 121.1639 54.9962 18.2910 179.5029 68 A 4.0055 8.3315 119.6261 55.1255 18.3626 180.0856 69 K 3.8747 7.5934 116.8249 59.7925 31.9577 179.3244 70 H 4.0932 7.9999 116.4956 58.5044 28.5630 177.7708 71 K 3.9297 8.1372 121.2665 59.5350 32.1219 178.7046 72 A 4.0453 8.1673 120.8244 55.1471 18.3079 179.4806 73 A 3.9957 8.4519 119.5479 55.1921 18.4793 179.3971 74 E 3.8592 8.3809 117.9260 59.4857 29.7231 179.2548 75 V 3.5717 7.8410 117.9902 65.9462 31.5390 177.8199 76 A 3.9725 8.0709 120.4954 55.0510 18.1843 179.6069 77 L 3.6685 8.3216 117.8335 57.8241 41.4945 179.7740 78 K 3.8766 7.7255 117.0450 59.7187 32.0578 178.6731 79 H 4.2437 7.9693 117.0574 59.4212 30.0039 176.8936 80 L 4.0679 7.7901 119.4345 57.7049 41.4721 178.0554 81 K 4.3050 7.7647 121.8772 56.6121 32.2302 176.6750 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 13 G 8.35 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 14 K 7.66 4.29 0.00 1.84 1.76 0.00 1.86 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.37 1.45 7.81 15 T 8.93 4.37 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 1.18 0.00 0.00 16 P 0.00 4.28 0.00 2.37 2.18 0.00 3.67 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 17 I 7.80 3.75 1.73 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.12 0.79 0.00 0.00 18 S 7.94 4.19 0.00 4.02 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 19 L 8.34 3.99 0.00 1.92 1.79 0.96 0.39 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 20 L 8.28 4.01 0.00 1.84 1.77 0.83 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 8.36 4.10 0.00 2.35 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 22 E 8.37 3.98 0.00 2.27 2.02 0.00 0.00 0.00 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 2.55 0.00 23 Y 8.52 4.02 0.00 3.19 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 G 8.99 4.05 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 0.00 0.00 0.00 25 T 7.99 4.00 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 1.32 0.00 0.00 26 R 7.57 3.85 0.00 1.89 1.90 0.00 3.30 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 27 I 7.21 4.15 1.82 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.84 0.68 0.00 0.00 28 G 7.95 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 0.00 0.00 0.00 0.00 29 K 8.39 4.63 0.00 1.75 1.78 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.54 7.81 30 T 7.72 4.17 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 1.24 0.00 0.00 31 P 0.00 4.51 0.00 1.91 1.76 0.00 3.81 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 32 V 8.34 4.43 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 1.10 0.00 0.00 0.92 0.00 0.00 33 Y 8.86 5.30 0.00 2.95 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 34 D 9.29 5.01 0.00 2.56 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.50 2.85 0.00 1.02 1.39 0.63 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.65 4.35 0.00 1.54 1.64 0.91 0.84 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 37 K 7.62 4.67 0.00 1.61 1.58 0.00 1.64 0.00 0.00 1.79 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.41 7.81 38 A 8.36 4.51 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 10.58 4.37 0.00 1.90 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 2.14 2.18 0.00 40 G 8.54 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 0.00 0.00 0.00 0.00 *44 Q 8.26 4.00 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.99 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 45 P 0.00 4.64 0.00 2.26 1.88 0.00 3.57 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.08 0.00 46 N 8.80 4.95 0.00 2.62 2.49 0.00 0.00 6.92 7.40 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 47 F 9.45 5.34 0.00 3.17 3.18 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 48 T 8.94 5.21 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 1.24 0.00 0.00 49 F 9.48 5.24 0.00 3.07 3.07 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 0.00 0.00 0.00 50 R 9.20 5.24 0.00 1.88 1.79 0.00 3.02 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 51 V 8.76 4.64 1.91 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 0.64 0.00 0.00 0.23 0.00 0.00 52 T 8.59 4.87 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 1.18 0.00 0.00 53 V 9.03 4.55 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 1.05 0.00 0.00 0.87 0.00 0.00 54 G 8.68 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 55 D 9.07 4.57 0.00 2.69 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 56 T 7.77 4.55 4.35 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 1.16 0.00 0.00 57 S 8.35 5.57 0.00 3.86 3.75 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 0.00 0.00 0.00 58 C 8.38 4.75 0.00 2.97 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 59 T 8.51 5.25 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 1.29 0.00 0.00 60 G 9.47 4.42 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 61 Q 8.50 5.39 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 62 G 8.81 4.35 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 0.00 63 P 0.00 4.85 0.00 2.26 2.23 0.00 3.44 0.00 0.00 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 64 S 7.70 4.88 0.00 3.95 3.99 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 65 K 7.62 3.63 0.00 1.42 1.58 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.71 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.34 0.21 7.81 66 K 7.67 3.63 0.00 1.64 1.68 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.32 7.81 67 A 8.14 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.33 4.01 1.73 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 69 K 7.59 3.87 0.00 1.41 0.93 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.32 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.30 0.66 7.81 70 H 8.00 4.09 0.00 3.31 3.32 0.00 5.62 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 71 K 8.14 3.93 0.00 2.02 2.04 0.00 1.55 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.55 7.81 72 A 8.17 4.05 1.55 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 0.00 0.00 73 A 8.45 4.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.38 3.86 0.00 2.22 2.18 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 2.31 2.33 0.00 75 V 7.84 3.57 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 0.95 0.00 0.00 0.97 0.00 0.00 76 A 8.07 3.97 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 77 L 8.32 3.67 0.00 1.75 1.63 0.95 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 78 K 7.73 3.88 0.00 1.99 1.88 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.44 7.81 79 H 7.97 4.24 0.00 3.15 3.42 0.00 5.77 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 7.79 4.07 0.00 1.33 1.60 0.76 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 81 K 7.76 4.31 0.00 1.71 1.71 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.45 1.51 7.81 * Residues marked with a * may have inaccurate shift predictions.