Assignment w1 w2 S4H-N 118.038 8.467 H5H-N 123.738 8.648 G13H-N 110.338 8.358 L14H-N 121.438 8.038 V15H-N 122.438 8.078 R17H-N 121.738 8.458 G18H-N 110.038 8.467 S19H-N 115.438 8.198 E23H-N 120.938 8.288 G24H-N 109.538 8.347 I25H-N 119.938 7.918 I26H-N 125.138 8.227 E27H-N 125.438 8.408 E28H-N 121.638 8.358 K29H-N 122.238 7.938 A30H-N 124.878 9.767 L31H-N 125.838 8.778 F32H-N 127.438 8.917 V33H-N 128.338 9.238 T34H-N 118.738 8.738 C35H-N 123.838 7.898 G36H-N 108.438 8.748 T38H-N 112.238 8.377 V39H-N 121.138 8.408 F41H-N 121.1 8.98 K43H-N 115.938 8.648 L44H-N 117.738 6.177 V45H-N 114.938 6.657 S46H-N 110.2 8.108 C47H-N 116.738 7.568 V48H-N 116.338 7.628 L49H-N 113.038 6.718 S50H-N 116.138 7.378 D51H-N 123.538 8.958 E52H-N 116.138 9.347 F53H-N 120.238 7.948 C54H-N 115.938 8.448 Q55H-N 117.238 8.517 E56H-N 120.338 7.168 L57H-N 117.938 8.017 I58H-N 116.638 7.747 Q59H-N 121.638 7.707 Y60H-N 115.538 7.617 G61H-N 106.438 7.867 F62H-N 118.238 8.108 V63H-N 111.438 8.587 R64H-N 121.438 7.798 L65H-N 127.438 9.208 I66H-N 127.338 9.488 I67H-N 125.708 9.358 Q68H-N 128.6 8.57 R71H-N 122.7 8.36 N72H-N 123.4 8.38 N72HD21-ND2 111.0 6.94 N72HD22-ND2 111.0 7.51 L80H-N 116.7 7.69 V81H-N 116.2 7.68 Q82H-N 119.3 7.71 E83H-N 122.038 8.208 R84H-N 116.038 7.278 G85H-N 106.938 7.798 G86H-N 107.238 8.337 Q87H-N 120.338 8.488 R88H-N 125.138 9.068 E89H-N 125.738 8.238 S90H-N 120.338 8.597 I95H-N 119.838 8.148 D96H-N 121.138 8.467 Q97H-N 119.338 8.127 F98H-N 112.738 7.557 G99H-N 109.038 7.907 C100H-N 114.238 7.807 G101H-N 110.338 8.708 D102H-N 120.038 8.608 T103H-N 108.438 7.718 A104H-N 124.738 7.747 R105H-N 120.838 8.818 Q106H-N 120.538 8.477 Y107H-N 122.238 9.618 V108H-N 118.638 9.307 L109H-N 128.038 9.318 M110H-N 115.538 9.057 N111H-N 115.838 8.927 G112H-N 102.738 7.517 K113H-N 118.238 7.438 L114H-N 117.238 7.617 K115H-N 125.438 8.297 V116H-N 122.938 9.188 I117H-N 127.438 9.108 G118H-N 112.038 8.988 F121H-N 117.9 8.23 S122H-N 119.9 9.41 T123H-N 118.138 8.847 K124H-N 124.238 8.977 M125H-N 118.738 7.977 Q126H-N 114.338 8.47 S127H-N 113.438 7.497 I128H-N 120.638 7.787 I129H-N 119.138 7.878 R130H-N 115.938 8.278 D131H-N 113.538 8.517 Y132H-N 114.438 7.427 S133H-N 110.238 6.847 D134H-N 120.438 9.387 L135H-N 121.538 8.068 V136H-N 127.038 8.477 I137H-N 125.138 9.04 S138H-N 117.838 8.858 H139H-N 121.438 7.557 A140H-N 124.638 8.488 G141H-N 108.338 7.25 G143H-N 108.138 8.587 S144H-N 115.938 7.557 I145H-N 121.038 7.767 L146H-N 117.538 8.078 D147H-N 117.938 8.097 S148H-N 112.838 7.157 L149H-N 120.938 8.137 R150H-N 118.038 8.507 L151H-N 117.338 6.887 N152H-N 115.338 8.19 N152HD21-ND2 115.4 6.89 N152HD22-ND2 115.4 7.57 K153H-N 116.638 7.477 L155H-N 116.938 9.108 I156H-N 125.6 8.95 V157H-N 124.838 9.318 C158H-N 127.238 8.847 V159H-N 127.338 8.408 N160H-N 124.138 8.208 D161H-N 125.338 8.148 S162H-N 114.638 7.977 L163H-N 120.938 7.287 M164H-N 119.138 8.347 D165H-N 118.438 7.938 N166H-N 119.238 8.448 H167H-N 118.938 8.597 Q168H-N 117.638 8.427 Q169H-N 118.7 8.15 Q170H-N 116.838 7.787 I171H-N 120.038 7.787 A172H-N 121.738 8.057 D173H-N 115.038 8.688 K174H-N 120.638 7.818 F175H-N 116.038 7.938 V176H-N 121.838 8.42 E177H-N 124.138 8.517 L178H-N 116.138 7.767 G179H-N 104.038 7.588 Y180H-N 113.038 7.537 V181H-N 105.738 6.818 W182H-N 117.938 7.787 W182HE1-NE1 130.1 10.14 S183H-N 115.138 8.938 C184H-N 118.038 8.608 A185H-N 124.038 8.408 T187H-N 112.538 8.417 E188H-N 123.238 9.708 T189H-N 109.238 8.118 G190H-N 113.538 8.538 L191H-N 124.138 8.738 I192H-N 119.738 8.318 A193H-N 121.638 7.827 G194H-N 107.938 8.427 L195H-N 123.438 8.727 R196H-N 119.238 8.627 A197H-N 123.338 7.807 S198H-N 112.138 7.577 Q199H-N 116.638 6.927 T200H-N 109.938 7.577 E201H-N 122.638 8.278 K202H-N 120.038 8.517 L203H-N 124.738 8.517 K204H-N 122.038 7.957 F206H-N 126.6 9.01 V208H-N 125.6 7.61 S209H-N 116.8 7.99 N211H-N 126.7 9.0 N211HD21-ND2 111.2 7.57 N211HD22-ND2 111.2 6.89 S213H-N 113.938 8.238 F214H-N 122.538 7.898 E215H-N 118.438 8.177 R216H-N 118.238 7.858 L217H-N 119.638 7.738 L218H-N 119.638 7.758 V219H-N 116.838 7.718 E220H-N 120.138 8.127 T221H-N 113.038 7.878 I222H-N 121.438 7.847 Y223H-N 120.938 7.867 S224H-N 121.738 7.657