Assignment w1 w2 N4H-N 118.172 8.469 N4HD21-ND2 111.999 7.563 N4HD22-ND2 111.999 6.791 L5H-N 122.574 8.051 K6H-N 124.098 8.523 I8H-N 116.734 8.875 F9H-N 126.209 10.636 G10H-N 111.159 9.242 I11H-N 113.457 6.707 L13H-N 126.677 9.108 A14H-N 116.381 8.988 D15H-N 118.195 7.18 A16H-N 122.662 8.049 V17H-N 121.099 8.602 E18H-N 118.204 7.769 R19H-N 111.562 7.609 T20H-N 103.429 7.498 M21H-N 122.895 8.205 M22H-N 118.661 8.269 Y23H-N 117.049 8.133 D24H-N 117.146 6.38 G25H-N 106.01 7.661 I26H-N 119.783 6.897 R27H-N 132.236 8.266 L28H-N 118.44 7.83 A30H-N 126.837 7.463 V31H-N 114.808 9.082 F32H-N 119.315 5.882 R33H-N 114.71 7.186 E34H-N 116.219 8.887 C35H-N 117.303 7.639 I36H-N 119.175 7.487 D37H-N 118.041 7.971 Y38H-N 117.416 7.699 V39H-N 120.86 8.678 E40H-N 118.755 8.739 K41H-N 116.627 7.247 Y42H-N 113.765 8.421 G43H-N 108.448 9.042 M44H-N 114.186 7.792 K45H-N 113.435 7.428 C46H-N 120.249 7.127 E47H-N 126.613 8.44 G48H-N 115.668 9.615 I49H-N 123.332 7.11 Y50H-N 113.008 8.441 R51H-N 121.53 8.786 V52H-N 120.932 7.997 S53H-N 122.692 8.667 G54H-N 109.234 7.895 I55H-N 121.212 7.801 S57H-N 111.343 8.664 K58H-N 121.087 7.097 V59H-N 121.402 8.012 D60H-N 117.43 8.372 E61H-N 121.405 7.546 L62H-N 122.105 7.86 K63H-N 120.865 8.552 A64H-N 117.444 7.529 A65H-N 120.002 7.452 Y66H-N 117.034 8.431 D67H-N 121.741 8.879 R68H-N 116.132 7.3 E69H-N 115.245 8.056 E70H-N 117.442 7.885 S71H-N 117.594 8.417 T72H-N 120.029 8.255 N73H-N 121.669 8.701 N73HD21-ND2 112.338 6.86 N73HD22-ND2 112.338 7.495 L74H-N 124.511 8.611 E75H-N 113.299 8.253 D76H-N 117.159 7.441 Y77H-N 120.364 8.135 E78H-N 120.047 8.462 N80H-N 112.961 8.905 N80HD21-ND2 113.702 6.625 N80HD22-ND2 113.702 7.524 T81H-N 120.299 7.885 V82H-N 122.445 7.117 A83H-N 121.421 8.506 S84H-N 111.852 7.751 L85H-N 126.988 8.231 L86H-N 120.389 8.062 K87H-N 114.661 7.866 Q88H-N 118.553 8.2 Q88HE21-NE2 116.991 8.092 Q88HE22-NE2 116.991 6.864 Y89H-N 118.689 8.537 L90H-N 114.704 7.669 R91H-N 119.979 8.501 D92H-N 116.584 7.703 L93H-N 123.727 7.026 E95H-N 117.877 6.947 L97H-N 131.023 10.066 L98H-N 115.083 9.031 T99H-N 107.871 7.652 K100H-N 122.17 9.17 E101H-N 115.51 8.695 L102H-N 112.891 7.32 M103H-N 121.83 8.111 R105H-N 116.262 7.452 F106H-N 120.669 8.014 E107H-N 116.308 7.472 E108H-N 119.386 7.993 A109H-N 121.765 7.817 C110H-N 112.101 7.363 G111H-N 104.632 7.807 R112H-N 118.062 7.003 T113H-N 111.762 8.528 T114H-N 109.043 7.394 E115H-N 123.21 8.928 T116H-N 111.538 8.063 E117H-N 119.632 7.336 K118H-N 118.967 7.495 V119H-N 116.941 7.923 Q120H-N 117.566 8.067 Q120HE21-NE2 110.993 6.693 Q120HE22-NE2 110.993 7.36 E121H-N 119.584 8.001 F122H-N 120.453 8.737 Q123H-N 116.156 8.674 Q123HE21-NE2 109.943 6.658 Q123HE22-NE2 109.943 7.015 R124H-N 118.804 7.495 L125H-N 119.707 8.013 L126H-N 117.769 8.729 K127H-N 115.078 7.09 E128H-N 116.525 7.49 L129H-N 118.928 7.063 E131H-N 124.497 8.784 C132H-N 113.152 8.623 N133H-N 120.632 7.342 Y134H-N 118.14 8.318 L135H-N 120.825 8.709 L136H-N 119.241 7.523 I137H-N 116.226 8.042 S138H-N 115.874 7.854 W139H-N 122.125 8.415 W139HE1-NE1 128.916 10.12 L140H-N 117.817 8.576 I141H-N 116.239 8.215 V142H-N 120.198 7.773 H143H-N 117.301 8.495 M144H-N 115.972 8.504 D145H-N 120.453 8.921 H146H-N 117.617 7.613 V147H-N 119.489 7.19 I148H-N 121.151 7.95 A149H-N 124.622 8.624 K150H-N 117.06 7.178 E151H-N 122.692 7.437 L152H-N 120.004 8.637 E153H-N 113.448 8.125 T154H-N 108.955 8.873 K155H-N 116.511 9.123 M156H-N 117.959 7.317 N157H-N 114.499 7.718 N157HD21-ND2 112.704 7.446 N157HD22-ND2 112.704 6.624 I158H-N 117.312 8.366 Q159H-N 120.078 8.157 Q159HE21-NE2 111.171 7.416 Q159HE22-NE2 111.171 6.784 N160H-N 117.18 8.532 N160HD21-ND2 108.267 7.336 N160HD22-ND2 108.267 6.991 I161H-N 121.227 8.647 S162H-N 119.02 8.188 I163H-N 119.291 7.691 V164H-N 115.358 6.995 L165H-N 120.225 8.988 S166H-N 115.435 9.025 T168H-N 115.283 7.108 V169H-N 105.652 7.624 Q170H-N 117.862 7.882 Q170HE21-NE2 113.16 7.568 Q170HE22-NE2 113.16 6.758 I171H-N 116.3 7.057 S172H-N 123.575 8.949 N173H-N 118.958 8.914 N173HD21-ND2 109.683 7.471 N173HD22-ND2 109.683 6.453 R174H-N 117.621 8.077 V175H-N 121.844 7.362 L176H-N 116.527 8.137 Y177H-N 117.603 8.557 V178H-N 119.547 7.196 F179H-N 115.096 7.277 F180H-N 110.043 8.393 T181H-N 109.591 7.806 H182H-N 117.796 7.269 V183H-N 120.999 7.541 Q184H-N 117.411 8.361 Q184HE21-NE2 112.658 6.88 Q184HE22-NE2 112.658 7.586 E185H-N 117.927 8.328 L186H-N 114.639 7.869 F187H-N 115.486 8.21 G188H-N 108.471 7.753 N189H-N 116.27 8.415 N189HD21-ND2 112.456 6.833 N189HD22-ND2 112.456 7.522 V190H-N 122.894 7.541 V191H-N 127.254 7.918 L192H-N 126.32 8.235 K193H-N 126.075 6.324 Q194H-N 127.326 8.479 Q194HE21-NE2 111.28 7.505 Q194HE22-NE2 111.28 6.674 V195H-N 124.426 9.507 M196H-N 126.81 8.236 K197H-N 124.908 8.581 L199H-N 123.659 9.036 R200H-N 118.949 8.195 W201H-N 120.532 8.669 W201HE1-NE1 128.988 9.606 A205H-N 121.073 7.964 T206H-N 113.796 7.972 M207H-N 124.725 8.23 T209H-N 115.164 8.061 L210H-N 126.813 8.203 E212H-N 116.036 8.267 T213H-N 107.549 7.545 Q214H-N 121.961 9.083 Q214HE21-NE2 113.217 7.771 Q214HE22-NE2 113.217 6.978 A215H-N 119.28 8.687 G216H-N 107.102 8.078 I217H-N 125.156 8.683 K218H-N 117.977 8.33 E219H-N 119.393 7.992 E220H-N 119.935 7.796 I221H-N 120.259 8.714 R222H-N 118.106 7.555 R223H-N 118.418 7.63 Q224H-N 117.242 8.355 E225H-N 118.416 9.256 F226H-N 119.956 7.793 L227H-N 120.429 7.478 L228H-N 119.916 8.731 N229H-N 115.208 7.896 N229HD21-ND2 112.752 7.49 N229HD22-ND2 112.752 6.912 C230H-N 119.07 7.72 L231H-N 120.566 8.441 H232H-N 116.616 8.479 R233H-N 118.901 7.663 D234H-N 119.612 7.982 L235H-N 119.272 7.943 Q236H-N 119.276 7.762 Q236HE21-NE2 111.644 7.355 Q236HE22-NE2 111.644 6.736 G237H-N 107.531 8.181 G238H-N 107.036 7.953 I239H-N 119.936 7.496 K240H-N 126.778 8.38 D241H-N 124.236 8.206 L242H-N 126.313 8.685 S243H-N 114.541 8.277 K244H-N 123.071 7.76 E245H-N 119.482 8.002 E246H-N 118.043 8.047 R247H-N 120.526 7.736 L248H-N 120.671 8.113 W249H-N 119.222 7.763 W249HE1-NE1 128.568 10.078 E250H-N 120.931 7.963 V251H-N 120.219 8.48 Q252H-N 116.677 8.313 Q252HE21-NE2 109.727 6.709 Q252HE22-NE2 109.727 6.973 R253H-N 119.394 7.99 I254H-N 121.992 8.202 L255H-N 121.052 8.924 T256H-N 115.18 8.211 A257H-N 123.398 7.572 L258H-N 118.6 8.767 K259H-N 116.971 8.434 R260H-N 118.193 7.629 K261H-N 118.198 7.55 L262H-N 118.908 7.64 R263H-N 118.219 7.766 E264H-N 119.962 7.906 A265H-N 129.357 7.64