Assignment w1 w2 K3H-N 120.596 8.214 I4H-N 123.347 8.136 T5H-N 121.494 8.089 V6H-N 120.387 9.248 E7H-N 118.268 8.122 V8H-N 119.158 8.821 T9H-N 121.866 8.475 V10H-N 127.0 9.64 Y11H-N 133.086 10.329 A12H-N 123.531 8.087 A13H-N 121.417 8.29 I14H-N 121.967 8.522 E15H-N 120.557 8.649 K16H-N 119.167 6.926 V17H-N 118.316 7.857 W18H-N 118.599 9.432 W18HE1-NE1 129.905 10.155 K19H-N 117.678 7.167 Y20H-N 118.877 8.69 W21H-N 118.289 9.097 W21HE1-NE1 126.501 9.319 N22H-N 107.768 6.847 N22HD21-ND2 107.767 6.115 N22HD22-ND2 107.767 3.114 E23H-N 123.247 8.319 A25H-N 115.991 8.714 H26H-N 113.553 7.418 I27H-N 124.022 8.207 M28H-N 110.582 7.655 K29H-N 116.606 7.739 W30H-N 112.611 6.811 W30HE1-NE1 128.218 10.131 C31H-N 126.522 7.305 Q32H-N 116.734 8.007 A33H-N 123.132 8.663 S34H-N 111.877 7.398 E36H-N 115.186 8.157 W37H-N 123.569 8.177 W37HE1-NE1 130.337 10.308 H38H-N 115.814 9.63 V39H-N 121.44 8.113 A41H-N 116.839 6.866 A42H-N 120.622 7.91 Q43H-N 118.382 8.963 N44H-N 122.736 9.283 N44HD21-ND2 109.758 8.627 N44HD22-ND2 109.758 6.191 D45H-N 128.812 8.274 L46H-N 122.478 7.7 K47H-N 124.658 8.036 A48H-N 125.349 9.182 G49H-N 113.498 9.124 G50H-N 110.57 8.948 T51H-N 111.412 8.357 F52H-N 118.437 7.817 T53H-N 115.32 8.295 T54H-N 128.201 9.77 T55H-N 126.561 8.61 M56H-N 125.646 8.785 A57H-N 123.591 8.714 A58H-N 125.242 7.526 K59H-N 125.916 8.854 D60H-N 115.61 8.034 G61H-N 107.181 7.816 S62H-N 115.018 8.253 M63H-N 117.872 6.788 S64H-N 117.09 8.295 F65H-N 121.588 9.266 D66H-N 120.59 8.517 F67H-N 128.317 9.036 G68H-N 113.002 7.424 G69H-N 103.758 5.873 V70H-N 118.114 7.961 Y71H-N 125.819 9.057 D72H-N 125.847 9.911 Q73H-N 114.589 7.994 V74H-N 122.928 8.783 K75H-N 128.678 9.648 T76H-N 122.397 8.378 N77H-N 115.484 3.143 N77HD21-ND2 105.7 6.917 N77HD22-ND2 105.7 5.691 D78H-N 115.388 7.55 L79H-N 120.893 8.702 I80H-N 125.666 9.439 E81H-N 125.75 9.158 Y82H-N 121.488 9.227 T83H-N 116.41 8.613 I84H-N 131.746 9.821 G85H-N 112.873 8.37 D86H-N 118.29 7.413 G87H-N 109.483 8.746 R88H-N 121.765 7.941 K89H-N 121.952 9.14 V90H-N 121.338 8.61 R91H-N 127.674 8.848 I92H-N 128.68 9.848 V93H-N 125.847 8.679 F94H-N 127.81 8.81 T95H-N 116.491 9.262 H96H-N 120.986 8.873 T97H-N 116.34 8.346 D99H-N 124.741 8.508 T100H-N 111.06 7.611 T101H-N 121.305 9.263 N102H-N 127.218 9.573 I103H-N 124.895 8.843 V104H-N 125.673 8.191 E105H-N 129.176 9.31 S106H-N 120.356 9.307 F107H-N 121.038 9.04 D108H-N 121.591 7.864 E110H-N 119.63 9.362 E111H-N 120.339 8.93 T112H-N 112.287 8.332 N113H-N 120.568 8.316 R115H-N 126.303 9.135 E116H-N 117.459 9.636 L117H-N 119.695 6.821 Q118H-N 119.927 7.574 Q119H-N 119.254 8.774 S120H-N 112.096 8.143 G121H-N 111.378 8.23 W122H-N 121.52 8.49 W122HE1-NE1 129.891 9.806 Q123H-N 120.843 8.926 A124H-N 122.1 8.342 I125H-N 120.31 7.551 L126H-N 120.093 7.625 N127H-N 119.275 8.953 N127HD21-ND2 109.925 7.755 N127HD22-ND2 109.925 7.128 S128H-N 118.677 8.3 F129H-N 121.825 8.849 K130H-N 121.637 8.597 S131H-N 112.227 7.986 Y132H-N 121.273 8.596 T133H-N 116.728 8.202 E134H-N 116.916 8.003 N135H-N 115.343 7.589 N136H-N 119.411 7.82 L137H-N 123.23 8.14 E138H-N 120.588 8.225 H139H-N 119.438 8.16