NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4749 8.3344 116.8035 58.3368 64.8139 173.0142 8 D 4.8465 7.9721 120.0373 51.5386 43.1200 173.8994 9 F 5.5401 8.8062 117.7633 55.3021 42.0490 173.5327 10 V 4.6991 9.2555 112.3270 59.6204 35.5075 174.8199 11 V 4.7502 8.6315 124.0833 61.4161 33.6961 174.4731 12 I 5.0010 8.9496 128.6239 59.4264 40.5947 174.0869 13 K 5.0519 9.2967 129.0735 54.4207 34.5715 174.8563 14 A 4.5530 8.8274 130.0639 52.0043 19.1674 177.5761 15 L 4.6679 9.3051 122.6408 55.0102 42.7413 175.7148 16 E 4.7950 7.7800 115.5920 54.6141 33.1724 174.6213 17 D 4.6265 8.7255 119.1987 54.9459 41.5799 176.0957 18 G 3.8585 8.3879 107.1405 46.7393 0.0000 174.4248 19 V 3.9602 7.7471 119.2638 62.3606 33.2108 174.1396 20 N 5.0454 9.3547 125.9095 51.8741 41.2036 173.2439 21 V 4.5056 8.5873 127.4242 61.5443 33.1365 173.9247 22 I 4.4314 8.7523 130.3180 59.5196 38.8090 175.2147 23 G 4.2993 9.3329 115.9868 45.0212 0.0000 172.6316 24 L 5.4112 8.9485 124.0693 53.0076 45.6920 175.3168 25 T 4.9139 8.2786 109.9253 60.6139 71.8048 173.0947 26 R 3.1984 8.4957 115.0457 58.8265 29.9024 177.4065 *32 F 4.3733 7.6398 120.7462 57.9817 40.5201 175.1840 33 H 4.1754 8.0827 114.5253 55.9204 29.0769 174.3504 34 H 4.9468 7.5745 120.7114 56.1143 33.9426 173.3192 35 S 4.7811 8.4959 120.9360 57.0907 64.5853 173.3373 36 E 4.4150 8.1471 124.4711 54.9944 32.3924 174.2539 37 K 4.8112 8.7977 129.5790 56.7169 33.4992 177.2149 *38 L 4.8827 8.9672 125.5533 53.2765 44.9251 174.3927 39 D 5.2003 10.1739 126.4151 51.8516 43.8355 176.5960 *40 K 3.9330 8.7186 122.6285 57.3005 31.4714 178.1213 41 G 4.0639 9.2530 114.3249 43.9511 0.0000 173.1120 42 E 4.3300 8.3657 119.9962 56.1014 31.0137 175.8913 43 V 4.9137 8.2378 121.3398 61.0413 34.4618 174.1989 44 L 4.6798 9.1188 129.8642 53.3148 44.7251 174.9712 45 I 4.8044 8.4582 126.8010 59.8635 38.4807 174.3541 46 A 4.6289 8.9044 130.2190 50.1699 20.9160 175.2781 47 Q 5.0182 8.4680 123.4136 54.2886 31.5123 174.8506 48 F 4.4749 8.7642 124.5496 57.5348 39.6506 175.8723 49 T 4.5654 8.4323 114.7719 59.8296 71.1674 174.2876 50 E 4.1448 8.7779 118.5979 59.8807 29.8144 177.7149 51 H 4.0145 8.4621 115.5642 57.9548 28.7832 174.8063 52 T 4.7419 7.4572 115.3812 61.7262 68.9106 174.0689 53 S 4.4903 8.8607 122.0910 60.6732 63.7496 174.5732 54 A 5.1423 8.0729 120.8447 49.6188 22.9348 174.5726 55 I 4.9112 8.6592 121.8351 60.0845 40.3509 175.7355 56 K 4.6366 9.1870 130.8639 53.3634 34.4879 172.0475 57 V 4.7475 8.3655 123.8908 60.5185 33.8002 174.4028 58 R 4.4723 8.9410 129.4138 55.0191 31.9545 174.7256 59 G 4.1425 9.1236 114.1239 43.7810 0.0000 173.8812 *60 K 4.3311 9.1448 123.3044 54.9566 32.2224 175.9595 61 A 5.1608 9.0116 127.1592 49.5934 23.5456 173.6682 62 Y 4.9691 9.0768 121.2709 56.0202 41.0415 174.5876 63 I 4.9651 8.4896 127.3524 59.5250 40.9612 174.2577 64 Q 4.8147 9.1478 126.2899 54.2721 31.2421 174.9301 65 T 4.8323 8.5139 113.0935 59.2235 72.3661 174.6957 66 R 3.6386 8.5679 121.2322 59.6075 29.8104 176.3699 67 H 4.6698 7.5574 112.4393 55.5063 28.9869 174.0502 68 G 3.7057 8.1088 106.9147 44.2463 0.0000 173.3692 69 V 4.5479 7.7759 111.1743 60.5382 33.5640 175.6247 70 I 4.4474 8.2143 121.0411 60.0352 41.8584 172.5856 71 E 5.2478 8.7648 128.3911 54.3949 31.9293 174.9372 72 S 4.6509 9.0308 122.1577 57.1417 65.3411 172.7496 73 E 4.7282 8.9575 124.9717 54.5554 30.6054 175.7899 74 G 3.7641 8.5051 114.8899 45.5014 0.0000 171.8224 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 7 S 8.33 4.47 0.00 3.92 4.02 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 0.00 0.00 0.00 8 D 7.97 4.85 0.00 2.79 2.56 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 9 F 8.81 5.54 0.00 3.14 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.26 4.70 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 0.73 0.00 0.00 0.87 0.00 0.00 11 V 8.63 4.75 2.15 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 0.97 0.00 0.00 1.15 0.00 0.00 12 I 8.95 5.00 1.86 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 1.09 0.53 0.91 0.00 0.00 13 K 9.30 5.05 0.00 1.87 1.80 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.40 7.81 14 A 8.83 4.55 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.31 4.67 0.00 1.58 1.73 0.94 0.86 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 16 E 7.78 4.79 0.00 1.90 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 2.17 2.33 0.00 17 D 8.73 4.63 0.00 2.69 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 18 G 8.39 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 19 V 7.75 3.96 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 0.99 0.00 0.00 0.96 0.00 0.00 20 N 9.35 5.05 0.00 2.79 2.59 0.00 0.00 6.63 7.73 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 21 V 8.59 4.51 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 0.83 0.00 0.00 0.89 0.00 0.00 22 I 8.75 4.43 1.66 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.22 0.25 0.00 0.00 23 G 9.33 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 0.00 0.00 0.00 0.00 24 L 8.95 5.41 0.00 1.86 1.58 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.28 4.91 4.21 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 1.31 0.00 0.00 26 R 8.50 3.20 0.00 1.88 2.29 0.00 3.24 0.00 0.00 3.11 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 *32 F 7.64 4.37 0.00 3.07 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 33 H 8.08 4.18 0.00 3.09 3.32 0.00 5.91 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.57 4.95 0.00 3.34 3.17 0.00 5.82 0.00 0.00 0.00 0.00 6.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.50 4.78 0.00 3.52 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.15 4.42 0.00 1.95 1.64 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 2.16 2.29 0.00 37 K 8.80 4.81 0.00 1.67 1.71 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.74 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.43 1.43 7.81 *38 L 8.97 4.88 0.00 1.26 1.47 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 39 D 10.17 5.20 0.00 2.79 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 *40 K 8.72 3.93 0.00 1.75 1.69 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.31 7.81 41 G 9.25 4.06 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 0.00 0.00 0.00 42 E 8.37 4.33 0.00 2.08 1.87 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 2.32 2.25 0.00 43 V 8.24 4.91 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 0.79 0.00 0.00 0.96 0.00 0.00 44 L 9.12 4.68 0.00 1.71 1.45 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.46 4.80 1.70 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 1.21 0.90 0.57 0.00 0.00 46 A 8.90 4.63 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.47 5.02 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 48 F 8.76 4.47 0.00 3.06 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 49 T 8.43 4.57 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 1.22 0.00 0.00 50 E 8.78 4.14 0.00 2.10 2.15 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 2.34 2.34 0.00 51 H 8.46 4.01 0.00 3.13 3.45 0.00 5.84 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.46 4.74 4.32 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 1.24 0.00 0.00 53 S 8.86 4.49 0.00 3.93 4.02 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 0.00 0.00 0.00 54 A 8.07 5.14 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 55 I 8.66 4.91 1.79 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.53 0.81 0.00 0.00 56 K 9.19 4.64 0.00 1.38 1.65 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.28 1.23 7.81 57 V 8.37 4.75 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 0.93 0.00 0.00 0.90 0.00 0.00 58 R 8.94 4.47 0.00 1.90 1.75 0.00 3.16 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 59 G 9.12 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 *60 K 9.14 4.33 0.00 1.48 1.74 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.37 1.27 7.81 61 A 9.01 5.16 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 62 Y 9.08 4.97 0.00 2.99 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 63 I 8.49 4.97 1.88 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 1.20 0.63 0.85 0.00 0.00 64 Q 9.15 4.81 0.00 1.91 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 65 T 8.51 4.83 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 1.18 0.00 0.00 66 R 8.57 3.64 0.00 1.58 1.77 0.00 3.18 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 67 H 7.56 4.67 0.00 3.16 3.25 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.11 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.78 4.55 1.56 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 0.66 0.00 0.00 0.97 0.00 0.00 70 I 8.21 4.45 1.83 0.00 0.00 0.85 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 1.20 0.86 0.00 0.00 71 E 8.76 5.25 0.00 2.11 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.48 0.00 72 S 9.03 4.65 0.00 3.93 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 73 E 8.96 4.73 0.00 1.96 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 0.00 2.20 2.35 0.00 74 G 8.51 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 * Residues marked with a * may have inaccurate shift predictions.