Assignment w1 w2 V6H-N 120.314 8.106 C7H-N 127.747 8.233 R8H-N 128.176 7.486 H9H-N 124.893 10.156 I10H-N 120.511 7.281 R11H-N 116.771 8.102 K12H-N 114.911 7.858 G13H-N 106.362 8.118 L14H-N 119.272 7.446 E15H-N 124.686 8.231 Q16H-N 123.398 9.186 Q16HE21-NE2 110.321 6.712 Q16HE22-NE2 110.321 7.116 G17H-N 107.383 8.843 N18H-N 119.439 7.942 N18HD21-ND2 111.778 7.07 N18HD22-ND2 111.778 7.697 K20H-N 115.528 8.044 K21H-N 116.771 7.368 A22H-N 120.522 7.916 L23H-N 115.312 7.622 V24H-N 119.264 7.132 N25H-N 120.734 8.716 N25HD21-ND2 112.819 6.888 N25HD22-ND2 112.819 7.629 V26H-N 116.175 7.331 E27H-N 124.056 8.145 W28H-N 126.912 8.557 W28HE1-NE1 129.058 10.196 N29H-N 120.097 8.911 N29HD21-ND2 107.823 6.445 N29HD22-ND2 107.823 7.252 I30H-N 116.775 7.03 C31H-N 126.967 8.928 Q32H-N 129.446 8.124 Q32HE21-NE2 113.86 7.153 Q32HE22-NE2 113.86 7.821 D33H-N 121.493 8.086 C34H-N 124.892 8.316 K35H-N 119.469 7.788 T36H-N 113.425 7.836 D37H-N 121.982 8.043 N38H-N 118.856 8.269 N38HD21-ND2 112.403 6.92 N38HD22-ND2 112.403 7.611 K39H-N 120.534 8.263 V40H-N 120.938 8.089 K41H-N 125.307 8.352 D42H-N 121.807 8.421 K43H-N 121.489 8.205 A44H-N 124.883 8.45 E45H-N 119.468 8.361 E46H-N 120.428 8.337 E47H-N 121.354 8.406 T48H-N 114.283 8.143 E49H-N 123.02 8.372 E50H-N 122.337 8.397 K51H-N 125.307 8.524 S53H-N 118.407 8.698 V54H-N 124.894 8.778 W55H-N 127.596 9.227 W55HE1-NE1 129.682 10.185 L56H-N 128.641 9.952 C57H-N 130.099 10.062 L58H-N 130.515 8.552 K59H-N 120.726 8.877 C60H-N 112.16 7.687 G61H-N 113.234 8.551 H62H-N 120.938 8.297 Q63H-N 127.747 8.067 Q63HE21-NE2 108.447 6.35 Q63HE22-NE2 108.447 7.278 G64H-N 108.447 8.854 C65H-N 123.644 9.402 G66H-N 106.573 8.602 R67H-N 121.568 8.089 N68H-N 116.557 8.642 N68HD21-ND2 113.235 6.947 N68HD22-ND2 113.235 7.711 S69H-N 115.244 7.675 Q70H-N 120.513 8.795 Q70HE21-NE2 112.82 6.867 Q70HE22-NE2 112.82 7.7 E71H-N 114.693 8.57 Q72H-N 114.485 7.78 Q72HE21-NE2 111.778 6.657 Q72HE22-NE2 111.778 7.574 H73H-N 118.232 9.259 A74H-N 124.892 9.603 L75H-N 124.267 8.387 K76H-N 116.778 8.516 H77H-N 117.606 7.917 Y78H-N 121.712 7.472 L79H-N 117.816 7.917 T80H-N 119.485 6.898 R82H-N 121.277 7.847 E84H-N 119.262 7.529 H86H-N 124.459 9.147 C87H-N 114.814 7.612 L88H-N 123.447 9.476 V89H-N 116.724 8.928 L90H-N 123.434 9.302 S91H-N 123.822 9.277 L92H-N 126.558 7.54 D93H-N 114.595 7.342 N94H-N 112.686 7.155 N94HD21-ND2 111.778 6.854 N94HD22-ND2 111.778 7.579 W95H-N 114.911 7.177 W95HE1-NE1 128.017 9.792 S96H-N 115.318 7.95 V97H-N 123.228 9.289 W98H-N 129.682 9.529 W98HE1-NE1 128.225 9.759 C99H-N 125.939 7.193 Y100H-N 125.518 9.268 V101H-N 122.187 8.538 C102H-N 125.309 9.653 D103H-N 118.853 8.081 N104H-N 112.402 6.529 N104HD21-ND2 112.194 6.973 N104HD22-ND2 112.194 7.401 E105H-N 119.885 7.73 V106H-N 126.06 8.682 Q107H-N 126.156 8.455 Q107HE21-NE2 112.611 6.829 Q107HE22-NE2 112.611 7.578 Y108H-N 117.565 8.174 C109H-N 114.898 7.825 S111H-N 112.049 7.81 L114H-N 118.619 8.368 G115H-N 106.11 8.376 Q116H-N 120.314 8.321 Q116HE21-NE2 111.57 6.803 Q116HE22-NE2 111.57 7.219 V117H-N 122.355 7.905 V118H-N 121.147 8.384 D119H-N 117.397 8.069 Y120H-N 119.273 7.669 V121H-N 120.314 8.432 R122H-N 118.647 8.587 K123H-N 117.601 7.601 Q124H-N 116.981 7.578 Q124HE21-NE2 113.444 6.565 Q124HE22-NE2 113.444 6.698 A125H-N 120.523 7.261 S126H-N 119.257 6.802