Assignment w1 w2 T3H-N 115.894 8.286 K4H-N 123.739 8.41 D5H-N 121.418 8.358 N6H-N 118.283 8.34 N6HD21-ND2 112.485 6.89 N6HD22-ND2 112.485 7.598 E7H-N 121.011 8.311 V8H-N 120.649 8.071 E9H-N 124.795 8.467 Q10H-N 121.822 8.418 Q10HE21-NE2 112.548 6.842 Q10HE22-NE2 112.548 7.604 E11H-N 122.804 8.528 D12H-N 121.634 8.438 L13H-N 123.525 8.197 A14H-N 123.45 8.237 Q15H-N 118.355 8.152 Q15HE21-NE2 112.571 6.856 Q15HE22-NE2 112.571 7.573 S16H-N 116.353 8.218 L17H-N 123.653 8.193 S18H-N 115.789 8.144 L19H-N 123.784 8.099 V20H-N 120.67 7.965 K21H-N 125.071 8.283 D22H-N 121.496 8.28 V23H-N 120.206 8.068 I24H-N 124.739 8.224 G25H-N 112.98 8.464 A26H-N 123.889 8.091 V27H-N 119.389 8.158 D28H-N 124.096 8.383 S29H-N 117.722 8.379 K30H-N 123.161 8.41 V31H-N 120.699 7.915 A32H-N 125.246 8.303 S33H-N 113.551 8.177 Y34H-N 124.262 8.187 E35H-N 119.616 8.522 K36H-N 119.41 7.911 K37H-N 122.517 7.869 V38H-N 120.848 7.989 R39H-N 120.856 8.013 L40H-N 119.695 8.27 N41H-N 117.077 8.019 N41HD21-ND2 112.549 6.935 N41HD22-ND2 112.549 7.826 E42H-N 123.416 8.296 I43H-N 120.77 8.178 Y44H-N 120.944 9.115 T45H-N 115.745 8.633 K46H-N 119.342 7.467 T47H-N 119.274 7.563 D48H-N 129.109 9.38 K50H-N 120.767 8.799 S51H-N 114.828 7.505 I52H-N 125.411 8.331 M53H-N 123.628 8.736 R54H-N 128.202 8.406 M55H-N 126.355 9.01 K56H-N 123.616 9.252 S57H-N 110.53 7.852 G58H-N 110.904 8.223 Q59H-N 120.908 7.58 Q59HE21-NE2 111.926 6.796 Q59HE22-NE2 111.926 7.75 M60H-N 123.37 8.701 F61H-N 129.156 8.966 A62H-N 131.133 8.942 K63H-N 119.955 8.969 E64H-N 113.771 8.465 D65H-N 117.013 7.654 L66H-N 116.609 7.661 K67H-N 113.584 6.825 R68H-N 113.978 7.632 K69H-N 118.21 6.987 K70H-N 118.423 8.284 L71H-N 125.846 8.815 V72H-N 125.864 9.427 R73H-N 117.037 8.054 D74H-N 124.018 8.512 G75H-N 107.222 8.865 S76H-N 117.165 8.812 V77H-N 119.957 8.856 F78H-N 115.15 9.034 L79H-N 119.918 8.928 K80H-N 123.464 7.919 N81H-N 126.199 8.568 A82H-N 124.244 9.776 A83H-N 119.717 7.741 G84H-N 107.444 8.272 R85H-N 121.286 8.04 L86H-N 122.224 8.34 K87H-N 123.329 9.073 E88H-N 128.303 9.074 V89H-N 120.286 8.946 Q90H-N 120.816 9.446 Q90HE21-NE2 109.544 6.779 Q90HE22-NE2 109.544 7.749 A91H-N 129.98 9.361 V92H-N 123.385 8.958 L93H-N 128.697 9.312 L94H-N 130.57 8.926 T95H-N 103.862 7.823 D96H-N 110.536 8.743 I97H-N 120.792 7.065 L98H-N 125.799 8.862 V99H-N 123.683 8.558 F100H-N 120.374 7.989 L101H-N 122.718 9.055 Q102H-N 120.597 9.39 E103H-N 125.64 9.025 K104H-N 128.486 9.217 D105H-N 128.353 9.397 Q106H-N 109.268 8.667 Q106HE21-NE2 112.69 6.814 Q106HE22-NE2 112.69 7.524 K107H-N 119.759 7.814 Y108H-N 117.782 8.408 I109H-N 113.862 8.97 F110H-N 121.565 8.107 A111H-N 124.531 8.595 S112H-N 115.484 8.164 L113H-N 128.126 9.243 D114H-N 124.549 9.061 K116H-N 120.785 8.406 S117H-N 116.987 9.066 T118H-N 112.116 7.619 V119H-N 119.384 7.003 I120H-N 127.289 9.048 S121H-N 120.705 8.74 L122H-N 124.933 7.622 K123H-N 117.516 7.77 L125H-N 122.493 7.293 I126H-N 125.774 8.533 V127H-N 124.663 8.575 R128H-N 123.813 8.638 E129H-N 120.807 9.084 V130H-N 122.417 6.962 A131H-N 132.358 8.75 H132H-N 118.457 8.151 E133H-N 120.796 7.022 E134H-N 125.488 8.609 K135H-N 111.317 8.117 G136H-N 105.245 7.827 L137H-N 124.086 9.869 F138H-N 118.748 9.566 L139H-N 120.034 9.001 I140H-N 124.65 9.331 S141H-N 123.904 8.804 M142H-N 122.927 8.42 G143H-N 109.233 8.513 D146H-N 120.734 8.175 E148H-N 122.067 8.21 V150H-N 124.462 8.895 E151H-N 131.027 9.239 V152H-N 127.194 8.945 H153H-N 126.039 9.909 A154H-N 124.394 9.027 S155H-N 112.258 8.991 S156H-N 111.284 7.635 K157H-N 124.801 9.42 E158H-N 119.337 8.878 E159H-N 121.324 8.234 R160H-N 123.57 8.487 N161H-N 119.245 8.914 N161HD21-ND2 111.714 7.113 N161HD22-ND2 111.714 7.918 S162H-N 117.598 8.286 W163H-N 122.622 8.341 W163HE1-NE1 129.7 10.661 I164H-N 118.213 8.321 Q165H-N 116.318 7.926 Q165HE21-NE2 113.525 7.1 Q165HE22-NE2 113.525 7.185 I166H-N 117.385 8.122 I167H-N 127.606 8.732 Q168H-N 119.313 8.855 Q168HE21-NE2 113.599 6.777 Q168HE22-NE2 113.599 7.755 D169H-N 119.335 8.839 T170H-N 118.66 7.981 I171H-N 125.38 8.803 N172H-N 118.155 8.613 N172HD21-ND2 111.611 7.047 N172HD22-ND2 111.611 7.931 T173H-N 116.614 8.106 L174H-N 123.553 7.739 N175H-N 116.313 8.084 N175HD21-ND2 112.942 7.132 N175HD22-ND2 112.942 7.618 R176H-N 120.78 7.792 D177H-N 120.689 8.308 E178H-N 120.518 8.219 D179H-N 121.245 8.283 E180H-N 121.38 8.363 G181H-N 109.883 8.475 I182H-N 119.365 7.638 S184H-N 117.154 8.489 E185H-N 127.494 8.02