Assignment w1 w2 D22H-N 123.958 8.279 I23H-N 122.607 7.983 D24H-N 125.725 8.291 A25H-N 127.078 8.213 T26H-N 114.172 8.193 R30H-N 124.196 8.44 R31H-N 129.938 7.952 N35H-N 128.012 8.1 R37H-N 130.111 7.973 G38H-N 111.841 8.364 L39H-N 123.653 7.983 I42H-N 123.776 7.9 W43H-N 132.301 7.627 W43HE1-NE1 130.689 9.964 N44H-N 128.438 8.369 N44HD21-ND2 113.82 6.736 N44HD22-ND2 113.82 6.736 V45H-N 122.404 7.829 K46H-N 132.18 7.927 K47H-N 131.303 7.957 V50H-N 123.81 8.076 Y51H-N 130.191 7.674 M53H-N 121.178 7.742 R56H-N 123.925 8.374 G59H-N 112.596 8.349 T60H-N 115.966 8.09 L61H-N 126.518 8.282 G62H-N 111.348 8.297 H63H-N 123.034 8.148 G65H-N 111.528 8.755 S66H-N 117.649 8.063 L67H-N 126.548 8.239 D68H-N 124.556 8.014 E69H-N 122.491 8.851 T70H-N 116.607 8.177 T71H-N 122.721 8.343 Y72H-N 122.146 8.362 E73H-N 120.373 8.243 R74H-N 119.87 7.215 L75H-N 121.059 8.017 A76H-N 126.413 9.157 E77H-N 120.282 8.086 E78H-N 120.108 8.377 T79H-N 118.058 8.216 L80H-N 125.032 8.475 D81H-N 122.596 8.941 S82H-N 114.375 7.24 L83H-N 121.257 7.518 A84H-N 124.605 8.881 E85H-N 119.661 7.736 F86H-N 123.023 7.599 F87H-N 119.0 8.759 E88H-N 126.754 9.216 D89H-N 122.359 7.729 L90H-N 118.057 7.205 A91H-N 122.599 7.209 D92H-N 115.913 7.512 K93H-N 120.654 6.987 Y95H-N 112.045 5.853 T96H-N 114.552 6.835 F97H-N 126.099 8.938 E98H-N 122.539 9.256 D99H-N 116.124 9.171 Y100H-N 124.62 7.299 D101H-N 130.879 8.776 V102H-N 126.377 8.181 S103H-N 123.753 8.848 F104H-N 128.725 8.983 G105H-N 117.284 8.111 G107H-N 108.487 8.698 V108H-N 120.988 7.653 L109H-N 135.203 9.576 T110H-N 126.399 9.202 V111H-N 129.973 9.133 K112H-N 132.407 8.869 L113H-N 125.702 8.467 G114H-N 105.031 7.534 G115H-N 109.435 9.132 L117H-N 122.164 8.332 G118H-N 107.284 7.999 T119H-N 116.599 7.917 Y120H-N 127.264 9.297 V121H-N 121.213 7.888 I122H-N 133.014 9.669 N123H-N 123.764 9.581 K124H-N 123.317 8.412 Q125H-N 131.468 7.747 T126H-N 125.482 8.567 N128H-N 112.783 6.977 K129H-N 119.601 7.879 Q130H-N 113.618 7.065 I131H-N 125.621 8.54 W132H-N 133.005 9.477 W132HE1-NE1 128.976 10.437 L133H-N 125.193 8.683 S134H-N 123.119 9.234 S135H-N 122.842 7.547 S137H-N 114.901 7.807 S138H-N 116.148 8.195 G139H-N 114.9 7.906 K141H-N 123.957 9.053 R142H-N 121.498 6.337 Y143H-N 123.661 9.559 D144H-N 123.609 8.866 W145H-N 124.557 9.317 W145HE1-NE1 129.97 10.158 T146H-N 118.152 8.243 K148H-N 116.79 6.677 N149H-N 118.359 6.585 W150H-N 121.432 8.887 W150HE1-NE1 131.622 9.931 V151H-N 124.007 9.536 Y152H-N 132.992 7.912 S153H-N 129.058 9.415 H154H-N 118.551 5.883 D155H-N 114.992 6.723 G156H-N 111.91 8.64 V157H-N 126.802 8.692 S158H-N 129.837 9.225 L159H-N 125.716 8.267 H160H-N 117.265 7.574 E161H-N 124.79 8.235 L162H-N 126.18 8.466 L163H-N 119.366 8.113 A164H-N 121.653 7.925 A165H-N 123.643 7.932 E166H-N 119.064 8.875 L167H-N 122.46 9.238 T168H-N 119.762 7.9 K169H-N 121.623 7.034 A170H-N 122.178 8.223 L171H-N 114.381 8.644 K172H-N 117.673 7.447 T173H-N 115.782 7.334 K174H-N 125.863 7.924 L175H-N 132.538 8.052 D176H-N 121.343 8.267 L177H-N 130.885 8.07 S178H-N 116.613 8.31 S179H-N 117.94 8.243 L180H-N 123.979 6.979 A181H-N 124.044 7.933 Y182H-N 115.502 8.395 S183H-N 113.024 7.479 G184H-N 114.132 8.868 K185H-N 124.3 7.97 D186H-N 124.865 8.578 A187H-N 131.373 7.689