Assignment w1 w2 T3H-N 114.478 8.367 G4H-N 110.606 8.35 H5H-N 119.573 8.558 D6H-N 128.922 8.276 G7H-N 108.178 7.803 A8H-N 117.252 8.386 L9H-N 120.551 10.361 A10H-N 118.716 7.179 Y11H-N 114.313 7.904 D12H-N 115.042 8.661 E13H-N 117.217 6.991 I15H-N 112.98 8.621 Y16H-N 120.002 6.801 L17H-N 119.891 7.851 S18H-N 118.962 8.831 D19H-N 118.801 8.02 G20H-N 107.223 7.811 N21H-N 120.352 8.343 N21HD21-ND2 114.028 7.834 N21HD22-ND2 114.028 6.846 I22H-N 123.783 8.143 I23H-N 125.424 7.84 N24H-N 125.976 8.845 N24HD21-ND2 108.748 7.413 N24HD22-ND2 108.748 6.8 I25H-N 125.401 9.426 G26H-N 109.204 8.329 E27H-N 119.843 6.141 F28H-N 118.535 7.812 V29H-N 116.476 8.922 D30H-N 120.387 8.919 K31H-N 118.129 7.212 F32H-N 118.313 7.371 F33H-N 120.658 8.204 K34H-N 116.712 7.322 K35H-N 119.485 7.613 Y36H-N 116.88 8.323 K37H-N 118.154 6.528 N38H-N 115.117 8.409 S39H-N 115.308 8.158 I40H-N 121.394 7.065 K41H-N 130.827 8.402 K42H-N 120.168 8.16 E43H-N 122.168 8.837 D44H-N 121.607 9.145 N45H-N 115.454 8.192 N45HD21-ND2 111.536 7.764 N45HD22-ND2 111.536 6.991 G46H-N 106.192 8.265 F47H-N 119.361 8.165 G48H-N 108.865 9.066 W49H-N 119.173 8.931 W49HE1-NE1 130.488 10.659 I50H-N 114.751 7.859 D51H-N 127.326 8.586 I52H-N 117.727 7.837 G53H-N 116.083 9.02 N54H-N 116.449 8.609 N54HD21-ND2 112.481 7.534 N54HD22-ND2 112.481 6.81 E55H-N 117.133 7.958 N56H-N 115.206 7.922 N56HD21-ND2 113.89 7.466 N56HD22-ND2 113.89 6.797 I57H-N 121.161 9.714 Y58H-N 126.598 8.209 I59H-N 125.856 10.028 K60H-N 122.082 7.835 S61H-N 116.775 8.958 F62H-N 124.393 7.7 N63H-N 129.467 8.686 N63HD21-ND2 116.459 8.19 N63HD22-ND2 116.459 6.784 K64H-N 124.641 8.043 L65H-N 117.422 7.768 S66H-N 112.217 7.619 L67H-N 118.36 7.913 I68H-N 111.201 6.858 I69H-N 122.242 8.18 E70H-N 124.864 8.894 D71H-N 123.346 8.627 K72H-N 123.193 9.261 R73H-N 122.672 8.782 R73HE-NE 85.572 7.105 I74H-N 123.321 8.8 L75H-N 124.531 8.589 R76H-N 112.697 7.422 V77H-N 111.647 8.151 W78H-N 119.672 8.587 W78HE1-NE1 130.302 10.221 R79H-N 120.18 9.419 R79HE-NE 84.49 6.513 K80H-N 124.947 8.459 K81H-N 127.083 8.944 Y82H-N 127.438 9.047 S83H-N 122.097 7.363 G84H-N 113.468 8.471 K85H-N 119.115 8.642 L86H-N 123.353 9.305 I87H-N 120.62 8.894 K88H-N 126.603 9.124 I89H-N 131.364 8.931 T90H-N 120.562 8.575 T91H-N 116.631 9.026 K92H-N 123.108 9.01 N93H-N 116.751 9.413 N93HD21-ND2 113.831 7.845 N93HD22-ND2 113.831 6.824 R94H-N 111.876 8.084 R94HE-NE 83.708 7.165 R95H-N 118.029 7.515 E96H-N 119.347 6.98 I97H-N 122.013 8.356 T98H-N 123.872 7.551 L99H-N 125.58 9.484 T100H-N 109.234 8.808 H101H-N 116.025 8.836 D102H-N 112.014 7.856 H103H-N 120.263 7.664 V105H-N 119.172 8.857 Y106H-N 116.35 8.747 I107H-N 116.912 9.14 S108H-N 113.139 8.15 K109H-N 129.43 9.001 T110H-N 119.57 9.383 G111H-N 106.427 8.181 E112H-N 120.324 8.144 V113H-N 123.457 8.611 L114H-N 131.667 9.486 E115H-N 127.754 8.464 I116H-N 125.838 8.725 N117H-N 123.512 8.3 N117HD21-ND2 107.806 7.644 N117HD22-ND2 107.806 6.605 A118H-N 123.703 7.861 E119H-N 109.652 8.395 M120H-N 117.11 8.177 V121H-N 123.398 7.375 K122H-N 126.925 8.932 V123H-N 119.644 8.185 G124H-N 117.218 8.902 D125H-N 120.572 7.959 Y126H-N 119.636 9.143 I127H-N 123.863 9.041 Y128H-N 124.465 8.535 I129H-N 115.798 8.599 K131H-N 122.092 8.911 N132H-N 127.524 9.899 N132HD21-ND2 112.664 7.564 N132HD22-ND2 112.664 6.937 N133H-N 112.472 8.996 N133HD21-ND2 112.966 7.446 N133HD22-ND2 112.966 6.853 T134H-N 112.394 7.814 I135H-N 123.582 8.826 N136H-N 129.225 9.283 N136HD21-ND2 113.358 7.333 N136HD22-ND2 113.358 7.002 L137H-N 119.158 8.638 D138H-N 120.502 8.751 E139H-N 124.231 8.488 V140H-N 127.728 9.321 I141H-N 122.214 8.946 K142H-N 123.182 7.84 V143H-N 122.697 8.14 T145H-N 113.106 8.457 V146H-N 118.992 8.946 D147H-N 123.312 8.539 Y148H-N 124.221 8.856 N149H-N 125.504 7.782 N149HD21-ND2 112.752 7.467 N149HD22-ND2 112.752 6.712 G150H-N 111.856 8.509 H151H-N 122.048 9.442 I152H-N 117.263 9.217 Y153H-N 118.235 9.041 D154H-N 118.674 8.912 L155H-N 114.42 7.614 T156H-N 114.958 8.327 V157H-N 128.486 8.243 E158H-N 129.381 8.822 D159H-N 117.309 8.645 N160H-N 121.321 9.315 N160HD21-ND2 109.675 8.568 N160HD22-ND2 109.675 6.424 H161H-N 108.396 7.028 T162H-N 106.315 7.187 Y163H-N 112.113 9.108 I164H-N 118.741 7.311 A165H-N 126.661 8.878 G166H-N 106.61 9.588 K167H-N 120.557 9.314 N168H-N 118.531 9.321 N168HD21-ND2 111.547 7.341 N168HD22-ND2 111.547 6.952 E169H-N 107.857 7.262 G170H-N 101.538 6.972 F171H-N 113.87 8.909 A172H-N 119.885 7.154 V173H-N 115.999 9.089 S174H-N 114.853 7.113 A175H-N 125.945 8.082 S176H-N 116.514 8.533 S177H-N 119.349 8.625 G178H-N 110.573 8.282 T179H-N 113.944 7.952 L180H-N 124.453 8.2 H181H-N 119.189 8.356