Assignment w1 w2 C3H-N 121.988 8.628 D6H-N 117.894 8.606 W7H-N 120.564 8.208 W7HE1-NE1 132.289 9.701 R8H-N 119.872 9.456 R8HE-NE 85.412 6.841 A9H-N 127.265 8.819 F10H-N 120.45 8.202 Q11H-N 126.391 8.872 Q11HE21-NE2 110.595 6.973 Q11HE22-NE2 110.595 6.578 S12H-N 113.087 8.189 N13H-N 118.336 8.242 N13HD21-ND2 115.647 7.47 N13HD22-ND2 115.647 7.055 C14H-N 118.315 8.592 Y15H-N 121.588 9.947 F16H-N 121.989 8.717 L18H-N 126.062 9.054 T19H-N 109.256 8.303 D20H-N 121.645 8.834 N21H-N 118.648 8.113 N21HD21-ND2 109.817 6.641 N21HD22-ND2 109.817 7.147 K22H-N 122.47 8.794 T23H-N 109.009 8.25 W24H-N 126.345 8.279 W24HE1-NE1 129.07 10.116 A25H-N 119.965 9.634 E26H-N 116.492 7.392 S27H-N 121.197 8.596 E28H-N 124.173 8.133 R29H-N 120.498 7.962 R29HE-NE 84.277 7.554 N30H-N 119.0 7.96 N30HD21-ND2 112.36 7.942 N30HD22-ND2 112.36 7.185 C31H-N 116.301 8.477 S32H-N 119.834 9.206 G33H-N 111.632 8.053 M34H-N 116.998 7.441 G35H-N 106.474 7.807 A36H-N 121.833 7.693 H37H-N 111.683 8.078 L38H-N 123.26 9.964 M39H-N 119.511 8.409 T40H-N 123.771 6.822 S42H-N 122.113 9.23 T43H-N 108.516 7.559 E44H-N 123.057 9.377 A45H-N 119.91 8.328 E46H-N 118.861 7.852 Q47H-N 119.473 7.054 Q47HE21-NE2 105.038 4.836 Q47HE22-NE2 105.038 7.156 N48H-N 115.182 8.416 N48HD21-ND2 110.914 7.503 N48HD22-ND2 110.914 6.904 F49H-N 118.413 7.473 I50H-N 117.601 7.02 I51H-N 114.824 7.216 Q52H-N 116.767 6.416 Q52HE21-NE2 112.788 7.236 Q52HE22-NE2 112.788 6.856 F53H-N 115.4 7.216 L54H-N 118.096 6.668 D55H-N 123.723 8.687 R56H-N 124.37 8.758 R56HE-NE 84.577 6.649 R57H-N 120.411 9.15 R57HE-NE 84.784 7.804 L58H-N 119.445 8.328 S59H-N 116.536 8.47 Y60H-N 120.274 8.897 F61H-N 123.635 9.521 L62H-N 114.382 8.394 G63H-N 106.675 9.253 L64H-N 124.754 6.84 R65H-N 124.476 8.218 D66H-N 126.754 8.756 E67H-N 123.39 8.488 N68H-N 114.882 8.336 N68HD21-ND2 111.778 7.448 N68HD22-ND2 111.778 6.819 A69H-N 118.915 7.444 K70H-N 117.439 7.925 Q72H-N 124.084 7.749 Q72HE21-NE2 112.284 7.497 Q72HE22-NE2 112.284 6.852 W73H-N 121.803 6.599 W73HE1-NE1 128.301 10.179 R74H-N 119.549 8.443 R74HE-NE 85.727 7.22 W75H-N 125.69 9.052 W75HE1-NE1 130.412 11.046 D77H-N 119.941 8.004 Q78H-N 109.962 8.124 Q78HE21-NE2 112.618 6.873 Q78HE22-NE2 112.618 7.516 T79H-N 121.656 8.172 F81H-N 125.403 9.015 N82H-N 129.264 8.985 N82HD21-ND2 111.513 7.749 N82HD22-ND2 111.513 7.115 R84H-N 114.801 7.697 R84HE-NE 84.729 7.252 R85H-N 123.958 7.596 R85HE-NE 85.274 7.242 V86H-N 110.039 6.57 W88H-N 118.538 6.633 W88HE1-NE1 128.361 10.367 H89H-N 122.693 9.473 K90H-N 120.826 8.741 N91H-N 117.166 8.906 N91HD21-ND2 113.273 6.909 N91HD22-ND2 113.273 7.625 E92H-N 116.991 7.738 S96H-N 116.489 8.118 Q97H-N 121.023 8.371 Q97HE21-NE2 112.607 7.502 Q97HE22-NE2 112.607 6.806 G98H-N 110.498 8.08 E99H-N 119.919 8.004 C101H-N 121.118 9.707 V103H-N 115.89 8.698 L104H-N 124.477 9.453 V105H-N 123.109 9.477 Y106H-N 136.491 9.509 N107H-N 124.433 8.329 N107HD21-ND2 112.119 7.236 N107HD22-ND2 112.119 6.727 Q108H-N 119.681 8.558 Q108HE21-NE2 112.179 7.458 Q108HE22-NE2 112.179 6.726 D109H-N 109.712 8.199 K110H-N 115.59 7.081 W111H-N 122.248 8.65 W111HE1-NE1 128.827 10.023 A112H-N 124.184 8.79 W113H-N 118.725 8.969 W113HE1-NE1 128.033 10.4 N114H-N 120.479 9.518 N114HD21-ND2 107.266 7.356 N114HD22-ND2 107.266 6.22 D115H-N 118.209 8.563 V116H-N 118.669 9.369 N119H-N 117.251 8.411 N119HD21-ND2 111.308 7.636 N119HD22-ND2 111.308 6.9 F120H-N 123.415 8.097 E121H-N 119.143 7.012 A122H-N 125.793 8.441 S123H-N 115.42 7.716 R124H-N 112.529 8.84 I125H-N 116.525 6.989 C126H-N 123.91 8.288 K127H-N 124.17 9.681 I128H-N 129.226 9.205 G130H-N 110.745 8.673 T131H-N 112.246 7.87 T132H-N 116.455 8.12 L133H-N 124.001 8.117 N134H-N 119.222 8.325 N134HD21-ND2 112.786 7.594 N134HD22-ND2 112.786 6.937 A135H-N 123.649 8.205 E136H-N 119.187 8.349 N137H-N 118.988 8.259 N137HD21-ND2 112.303 7.647 N137HD22-ND2 112.303 6.909 L138H-N 121.438 8.084 Y139H-N 120.558 8.13 F140H-N 120.508 8.275 Q141H-N 119.274 8.25 Q141HE21-NE2 111.637 6.851 Q141HE22-NE2 111.637 7.458 S142H-N 113.008 7.883 H143H-N 118.375 8.018 W149H-N 122.905 8.141 W149HE1-NE1 129.415 10.097 S150H-N 117.58 8.231 H151H-N 120.167 8.167 Q153H-N 120.519 8.475 Q153HE21-NE2 112.157 6.797 Q153HE22-NE2 112.157 7.41 F154H-N 119.769 8.113 E155H-N 122.522 8.213 K156H-N 126.928 7.881