NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-5 H 4.7498 8.4449 117.3740 54.6006 30.1272 172.5334 -4 H 4.5797 8.0608 117.5735 57.1395 29.8431 172.3321 -3 H 4.9264 7.5148 114.1640 53.3131 32.6736 172.8149 -2 H 3.0680 6.9581 117.2342 58.2619 28.8284 176.1522 *-1 H 4.5297 7.9601 117.1215 53.8683 29.6363 175.6624 -2 E 2.6880 6.9581 119.2342 59.8619 29.7284 178.6522 *-1 K 4.1197 7.8301 119.3215 55.0683 33.7363 178.1624 5 A 4.8467 8.6118 124.0754 49.9552 21.9229 175.7280 6 C 4.6343 8.9401 123.1872 59.5022 32.1569 174.7836 7 R 4.0417 9.1864 125.8800 58.7341 29.5675 177.3415 8 H 4.7207 8.3454 115.1623 56.6431 29.7027 175.2168 9 C 4.7589 7.7679 110.4040 57.2452 30.8587 174.6756 10 H 4.4291 8.8132 117.2027 56.3380 26.8374 173.7673 11 Y 3.6470 7.4831 121.6450 57.4902 39.8419 174.4398 12 I 4.9840 7.1584 126.9262 59.9766 38.4867 175.0514 13 T 4.7368 8.0920 120.4519 60.6499 70.5152 173.4794 14 S 4.5562 8.6768 118.8791 58.2493 63.8829 174.1023 15 E 4.2447 8.0621 123.7472 56.9326 29.8714 176.9329 16 D 4.7606 8.4544 117.3607 53.6463 40.2402 175.7664 17 R 4.8142 7.2867 113.4078 55.4671 32.4611 174.2831 18 C 4.2534 9.1590 121.0566 58.8823 31.8379 173.0756 19 P 4.2423 0.0000 0.0000 64.9977 31.3822 178.1564 20 V 3.5260 7.3467 117.7021 65.3198 31.5524 176.3772 21 C 4.4436 8.0137 111.0401 57.5339 30.6574 174.6051 22 G 3.9026 8.1227 109.0053 45.1991 0.0000 173.9512 23 S 4.2507 7.6703 114.3440 58.4818 62.9689 174.3400 24 R 4.3835 8.3724 123.2498 56.8141 30.8160 177.3185 25 D 4.7562 8.3532 121.5919 53.0842 39.1205 174.3568 26 L 4.9850 7.7209 118.9435 53.2549 43.7828 176.4150 27 S 4.8242 9.0561 119.1887 56.6355 64.0171 174.9197 28 E 3.9933 9.0676 125.6881 58.0699 29.7946 176.1049 29 E 3.9244 8.0950 121.1491 54.2233 30.5747 174.5585 30 W 5.5663 7.0390 122.5019 55.4203 31.5111 173.7921 31 F 4.8662 9.5033 118.6435 56.9771 43.5125 172.3081 32 D 4.9865 9.3865 120.7937 54.6473 36.9094 172.4713 33 L 4.7510 9.0541 122.9554 55.2377 43.2610 176.6594 34 V 4.6794 9.1403 118.6063 59.5279 36.0894 174.1182 35 I 4.9172 8.4108 122.6255 59.3005 40.5844 174.4898 36 I 4.4647 8.9399 129.9427 60.0090 39.3349 176.1660 37 V 3.7681 8.7196 126.4681 63.9896 32.6099 175.1433 38 D 4.7414 7.6826 120.9875 52.0021 42.6911 175.6009 39 V 3.6096 8.6556 127.4977 66.1952 31.5248 178.0280 40 E 4.0958 8.3314 116.8201 58.5113 29.4096 177.0228 41 N 4.9983 7.9825 115.7563 52.4968 39.8439 174.3952 42 S 4.6249 7.7871 113.0512 56.0668 64.9437 173.4949 43 E 3.9421 8.7320 130.0145 59.3867 29.5926 178.4360 44 I 3.6844 7.7438 118.0904 63.6940 38.1106 177.4164 45 A 3.8732 7.9750 121.3790 55.0911 17.9741 179.5189 46 K 3.8527 7.6094 115.1431 59.5031 32.2263 179.0838 47 K 4.0508 7.9647 118.7997 58.9546 32.2547 177.9230 48 I 4.2222 7.6299 110.0297 60.0859 38.0974 176.3179 49 G 3.7617 7.8668 108.3988 46.0434 0.0000 173.6722 50 A 4.0245 7.5519 121.6941 51.6899 18.8115 178.3326 51 K 4.5661 8.5645 118.7203 55.7149 33.8104 176.2434 52 V 4.4771 7.3617 119.3817 59.9149 34.0022 173.6039 53 P 4.5991 0.0000 0.0000 62.7481 32.3531 176.9988 54 G 3.6857 7.6422 105.5140 44.9224 0.0000 171.6178 55 K 4.9266 7.6046 119.6852 55.2428 34.2475 175.5442 56 Y 4.9496 8.8133 120.7355 56.1112 42.4426 174.0531 57 A 5.0199 8.4709 124.2129 50.8712 20.0387 177.6606 58 I 4.0219 8.8258 123.5875 63.8287 38.0264 176.9606 59 R 4.8796 8.5225 120.9445 54.3137 32.8962 175.4962 60 V 4.9398 8.5997 124.8857 61.8159 34.7750 175.8353 61 R 4.4282 8.8747 126.9438 56.9751 29.3710 173.5975 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 *-5 H 8.44 4.75 0.00 2.67 2.91 0.00 5.80 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -4 H 8.06 4.58 0.00 2.95 3.32 0.00 5.53 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 H 7.51 4.93 0.00 2.79 2.87 0.00 5.72 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 H 6.96 3.07 0.00 2.33 1.71 0.00 5.59 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *-1 H 7.96 4.53 0.00 2.84 3.01 0.00 5.85 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 E 6.96 2.69 0.00 1.16 1.12 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 2.31 2.27 0.00 *-1 K 7.83 4.12 0.00 1.39 1.60 0.00 0.61 0.00 0.00 1.82 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.53 7.81 5 A 8.61 4.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 C 8.94 4.63 0.00 3.03 2.95 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 7 R 9.19 4.04 0.00 1.62 1.87 0.00 3.20 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 8 H 8.35 4.72 0.00 3.19 3.38 0.00 5.64 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 C 7.77 4.76 0.00 3.18 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 10 H 8.81 4.43 0.00 3.62 3.77 0.00 5.64 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 7.48 3.65 0.00 2.70 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.16 4.98 1.21 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.13 0.03 0.42 0.00 0.00 13 T 8.09 4.74 4.45 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 1.29 0.00 0.00 14 S 8.68 4.56 0.00 4.01 3.94 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 0.00 0.00 0.00 15 E 8.06 4.24 0.00 2.16 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 2.35 2.28 0.00 16 D 8.45 4.76 0.00 2.69 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 17 R 7.29 4.81 0.00 1.98 1.87 0.00 2.99 0.00 0.00 3.13 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 18 C 9.16 4.25 0.00 2.94 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 19 P 0.00 4.24 0.00 1.78 1.99 0.00 3.54 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.04 0.00 20 V 7.35 3.53 1.86 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 0.80 0.00 0.00 0.19 0.00 0.00 21 C 8.01 4.44 0.00 3.09 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 22 G 8.12 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 23 S 7.67 4.25 0.00 3.89 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.37 4.38 0.00 1.85 1.96 0.00 3.26 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 25 D 8.35 4.76 0.00 2.67 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 26 L 7.72 4.99 0.00 1.54 1.61 0.92 0.93 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 27 S 9.06 4.82 0.00 3.86 3.76 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 0.00 0.00 0.00 0.00 28 E 9.07 3.99 0.00 1.98 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 2.34 2.32 0.00 29 E 8.10 3.92 0.00 1.90 1.77 0.00 0.00 0.00 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 1.89 0.00 30 W 7.04 5.57 0.00 3.43 2.89 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 0.00 0.00 0.00 31 F 9.50 4.87 0.00 3.03 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 32 D 9.39 4.99 0.00 3.09 2.89 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 0.00 0.00 0.00 33 L 9.05 4.75 0.00 2.04 1.74 0.91 0.91 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 34 V 9.14 4.68 2.12 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 0.68 0.00 0.00 1.04 0.00 0.00 35 I 8.41 4.92 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.89 0.93 0.00 0.00 36 I 8.94 4.46 2.01 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.77 0.95 0.00 0.00 37 V 8.72 3.77 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.95 0.00 0.00 38 D 7.68 4.74 0.00 2.67 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.66 3.61 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 0.97 0.00 0.00 0.95 0.00 0.00 40 E 8.33 4.10 0.00 2.26 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 2.31 1.90 0.00 41 N 7.98 5.00 0.00 2.70 2.77 0.00 0.00 6.68 7.51 0.00 0.00 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 S 7.79 4.62 0.00 3.92 3.81 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 43 E 8.73 3.94 0.00 2.11 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 2.37 2.42 0.00 44 I 7.74 3.68 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.04 0.91 0.00 0.00 45 A 7.97 3.87 1.28 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 0.00 0.00 0.00 46 K 7.61 3.85 0.00 2.18 1.87 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.48 1.32 7.81 47 K 7.96 4.05 0.00 1.74 1.99 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.44 7.81 48 I 7.63 4.22 1.78 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.58 0.93 0.00 0.00 49 G 7.87 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 7.55 4.02 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.56 4.57 0.00 1.71 1.79 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.31 7.81 52 V 7.36 4.48 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 0.80 0.00 0.00 0.93 0.00 0.00 53 P 0.00 4.60 0.00 2.29 2.20 0.00 3.88 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00 54 G 7.64 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 55 K 7.60 4.93 0.00 1.27 1.41 0.00 1.46 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.30 7.81 56 Y 8.81 4.95 0.00 2.80 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.47 5.02 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.83 4.02 2.01 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.93 0.99 0.00 0.00 59 R 8.52 4.88 0.00 2.12 2.04 0.00 3.07 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 60 V 8.60 4.94 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 0.79 0.00 0.00 0.70 0.00 0.00 61 R 8.87 4.43 0.00 1.61 1.65 0.00 3.35 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.42 0.00 * Residues marked with a * may have inaccurate shift predictions.