NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.7085 8.4093 118.1250 52.6668 39.4181 175.8199 2 S 4.3156 8.9465 118.4646 57.4715 66.0425 170.3646 *3 V 3.6861 7.7588 117.4710 61.0834 32.8059 175.2338 4 H 4.3169 8.6959 124.0723 54.5186 30.2787 174.3833 5 P 4.4129 0.0000 0.0000 64.9224 31.4957 177.5186 6 C 4.4910 8.2421 115.9793 57.8870 41.2405 173.0688 7 C 4.4632 7.7319 120.1025 58.7007 31.9110 172.4203 8 D 4.7020 9.1159 127.2093 51.8841 40.4493 175.0801 9 P 4.6043 0.0000 0.0000 64.7152 31.7521 178.0901 10 V 3.8545 7.7237 112.0452 63.2673 31.7699 177.0163 11 I 4.1158 7.8199 118.3609 60.5470 38.2092 174.9825 12 C 3.8583 8.5027 119.2951 60.4403 30.3220 171.5124 13 E 4.8311 7.6661 116.3112 52.8753 33.4577 172.6696 14 P 4.8303 0.0000 0.0000 62.1325 32.2671 176.9389 15 R 4.0208 8.9286 121.9685 56.2724 31.4000 176.0653 16 E 4.1338 8.6222 122.8357 57.8900 30.0844 176.6116 17 G 4.0608 9.0740 114.1543 45.4114 0.0000 173.3480 18 E 4.0425 7.5383 118.1999 55.8005 30.7410 175.6658 19 H 4.4780 8.7039 117.5760 57.3425 30.0757 172.6803 20 C 4.6631 7.2039 111.3925 54.9514 44.0616 173.1312 21 I 3.9378 7.9866 118.0424 62.1088 38.3184 176.3552 22 S 4.5498 7.6012 111.6457 56.9524 66.1638 171.9916 23 G 4.3682 8.8307 105.3158 42.4865 0.0000 172.5345 24 P 4.2186 0.0000 0.0000 65.2556 31.5178 178.2561 25 C 4.9628 8.8044 114.2599 56.4707 40.5478 171.9057 26 C 5.5843 8.2137 119.6731 54.7233 46.4103 173.0933 27 E 4.6123 9.2669 127.0148 56.0705 32.3890 174.7841 28 N 4.3057 9.8744 124.4949 54.7455 36.3751 175.7412 29 C 4.4436 8.0685 111.4734 57.7449 37.8391 172.8432 30 Y 5.0207 7.3670 117.3719 55.5996 40.3567 174.8654 31 F 5.2346 8.8584 121.4040 57.4972 39.5462 175.5670 32 L 4.2884 9.1051 123.8932 54.4796 43.0704 176.1529 33 N 4.4867 8.9763 120.6028 54.0268 39.8539 174.4156 34 S 4.5467 8.6062 120.3727 59.7162 63.8246 173.8447 35 G 3.9653 8.5586 111.2431 45.6757 0.0000 174.2280 36 T 4.1200 7.8800 117.5627 63.5161 69.3938 174.1200 37 I 4.2900 8.6294 128.3195 61.6286 37.2805 174.7328 38 C 4.9209 8.7835 120.9867 55.1312 44.7598 174.0499 39 K 4.3805 7.4178 119.0226 55.7647 35.0449 174.5842 40 R 4.5841 8.7328 126.3047 55.6575 31.4128 175.6236 41 A 4.5580 8.2158 122.6209 50.5048 20.2943 177.4973 42 R 3.8264 8.8747 119.5730 57.3995 30.2451 176.4528 43 G 4.5087 6.9620 118.0227 45.6243 0.0000 171.2265 44 D 4.7124 7.8834 124.4392 51.3229 40.7567 176.7077 45 G 3.9216 8.1735 107.0328 46.8925 0.0000 174.6491 46 N 4.7944 8.0339 118.9567 51.9541 36.2962 174.9484 47 Q 4.2569 7.8807 120.0614 55.0997 30.9468 175.1417 48 D 4.7084 8.4176 121.0846 53.6857 42.4076 175.4902 49 Y 5.2256 8.3544 119.6005 56.1524 41.6617 176.2555 50 C 4.7283 9.6355 119.9043 57.3803 41.2218 174.7262 51 T 3.8455 8.6059 110.2693 61.6259 69.3630 176.3112 52 G 4.0088 8.4112 109.5495 46.0583 0.0000 173.5344 53 I 3.9017 7.3393 110.0434 59.8886 38.7687 174.9625 54 T 4.4756 6.7847 109.8481 59.5043 71.8391 171.7607 55 P 4.7539 0.0000 0.0000 63.0481 32.2348 175.4157 56 D 4.8118 7.7548 118.8846 52.7629 40.8558 176.7652 57 C 4.7405 8.1670 119.3580 53.7125 43.0216 170.7044 58 P 4.4336 0.0000 0.0000 61.5892 31.7067 176.6812 59 R 4.0203 8.4733 122.7421 56.1206 30.6396 175.7514 60 N 4.4128 9.4321 124.6469 54.1588 39.2820 175.8770 61 R 4.0215 8.6125 124.3263 58.9787 30.4211 177.2827 62 Y 4.2079 8.0489 114.4146 59.3898 37.9975 175.8236 63 N 4.5396 8.0359 119.0962 52.7028 39.0386 175.5592 64 V 3.8119 8.5659 115.6568 61.9230 31.5909 176.0124 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 N 8.41 4.71 0.00 2.71 2.45 0.00 0.00 6.75 6.68 0.00 0.00 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 S 8.95 4.32 0.00 4.00 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 *3 V 7.76 3.69 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 0.69 0.00 0.00 0.93 0.00 0.00 4 H 8.70 4.32 0.00 3.15 3.18 0.00 5.64 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.41 0.00 2.16 2.11 0.00 3.16 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.87 0.00 6 C 8.24 4.49 0.00 2.96 3.15 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 7 C 7.73 4.46 0.00 2.94 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 8 D 9.12 4.70 0.00 2.71 2.71 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 9 P 0.00 4.60 0.00 2.21 2.16 0.00 3.80 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 10 V 7.72 3.85 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 0.68 0.00 0.00 0.99 0.00 0.00 11 I 7.82 4.12 1.86 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 1.29 0.75 1.00 0.00 0.00 12 C 8.50 3.86 0.00 3.03 2.98 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 13 E 7.67 4.83 0.00 2.07 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 14 P 0.00 4.83 0.00 1.89 1.85 0.00 3.72 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 1.95 2.04 0.00 15 R 8.93 4.02 0.00 1.63 1.83 0.00 3.29 0.00 0.00 3.05 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 16 E 8.62 4.13 0.00 1.91 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 0.00 2.29 2.26 0.00 17 G 9.07 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 18 E 7.54 4.04 0.00 1.76 1.61 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 2.23 2.21 0.00 19 H 8.70 4.48 0.00 2.37 1.63 0.00 5.70 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 C 7.20 4.66 0.00 3.03 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 21 I 7.99 3.94 1.78 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.83 0.58 0.00 0.00 22 S 7.60 4.55 0.00 3.93 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 23 G 8.83 4.37 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 0.00 0.00 0.00 24 P 0.00 4.22 0.00 2.07 2.17 0.00 3.84 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 2.05 2.15 0.00 25 C 8.80 4.96 0.00 3.10 3.11 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 26 C 8.21 5.58 0.00 3.00 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 27 E 9.27 4.61 0.00 2.02 1.80 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 2.25 2.31 0.00 28 N 9.87 4.31 0.00 2.96 2.85 0.00 0.00 7.23 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 29 C 8.07 4.44 0.00 2.78 2.84 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 30 Y 7.37 5.02 0.00 2.98 2.67 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 31 F 8.86 5.23 0.00 3.11 2.84 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 32 L 9.11 4.29 0.00 1.68 1.66 1.02 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.98 4.49 0.00 2.80 2.74 0.00 0.00 6.82 7.50 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 34 S 8.61 4.55 0.00 3.97 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 35 G 8.56 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 0.00 0.00 0.00 36 T 7.88 4.12 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 37 I 8.63 4.29 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.61 0.80 0.00 0.00 38 C 8.78 4.92 0.00 2.93 3.17 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 0.00 39 K 7.42 4.38 0.00 1.77 1.58 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.39 7.81 40 R 8.73 4.58 0.00 1.70 1.79 0.00 3.23 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 41 A 8.22 4.56 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 42 R 8.87 3.83 0.00 1.80 2.03 0.00 3.50 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 43 G 6.96 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 7.88 4.71 0.00 2.72 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 45 G 8.17 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 0.00 0.00 0.00 46 N 8.03 4.79 0.00 3.01 2.96 0.00 0.00 6.88 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 47 Q 7.88 4.26 0.00 1.57 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.20 2.35 0.00 48 D 8.42 4.71 0.00 2.50 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 8.35 5.23 0.00 2.86 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 50 C 9.64 4.73 0.00 2.90 3.02 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 51 T 8.61 3.85 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 1.18 0.00 0.00 52 G 8.41 4.01 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 0.00 0.00 0.00 53 I 7.34 3.90 1.71 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.59 0.82 0.00 0.00 54 T 6.78 4.48 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 1.10 0.00 0.00 55 P 0.00 4.75 0.00 2.52 2.58 0.00 3.75 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 56 D 7.75 4.81 0.00 2.82 2.76 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 57 C 8.17 4.74 0.00 2.93 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 58 P 0.00 4.43 0.00 2.10 1.97 0.00 3.95 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 2.04 2.06 0.00 59 R 8.47 4.02 0.00 1.77 1.85 0.00 3.25 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 60 N 9.43 4.41 0.00 3.07 2.77 0.00 0.00 6.81 7.28 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 61 R 8.61 4.02 0.00 1.62 1.83 0.00 3.38 0.00 0.00 3.18 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.52 0.00 62 Y 8.05 4.21 0.00 3.15 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 63 N 8.04 4.54 0.00 2.94 2.79 0.00 0.00 6.96 7.12 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 64 V 8.57 3.81 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 0.67 0.00 0.00 0.95 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.