Assignment w1 w2 I5H-N 117.219 7.432 C6H-N 125.214 8.649 S7H-N 125.162 9.038 F8H-N 120.857 8.909 C9H-N 116.889 8.193 L10H-N 119.86 8.078 G11H-N 110.164 9.083 T12H-N 107.402 7.886 K13H-N 120.544 9.323 E14H-N 117.96 8.03 Q15H-N 117.536 7.298 Q15HE21-NE2 111.71 7.535 Q15HE22-NE2 111.71 6.76 N16H-N 124.282 8.693 N16HD21-ND2 112.347 8.235 N16HD22-ND2 112.347 6.816 R17H-N 119.114 8.074 E18H-N 116.768 7.479 K19H-N 113.528 8.141 K20H-N 118.859 7.704 E22H-N 124.417 8.153 E23H-N 124.253 8.331 L24H-N 116.619 8.134 I25H-N 121.137 8.532 S26H-N 118.669 8.551 C27H-N 127.734 9.173 A28H-N 134.201 9.264 D29H-N 118.648 8.878 C30H-N 119.116 8.462 G31H-N 111.89 7.611 N32H-N 122.613 9.045 N32HD21-ND2 112.606 7.783 N32HD22-ND2 112.606 6.722 S33H-N 118.377 8.878 G34H-N 106.459 8.899 H35H-N 124.158 8.758 S37H-N 112.141 9.455 C38H-N 125.662 7.098 L39H-N 119.6 7.54 K40H-N 111.997 7.341 F41H-N 118.379 7.799 S42H-N 120.314 8.507 E44H-N 116.661 8.67 L45H-N 123.718 7.775 T46H-N 115.509 8.117 V47H-N 117.059 7.192 R48H-N 119.052 7.274 V49H-N 115.485 8.594 K50H-N 118.099 7.561 A51H-N 119.885 7.312 L52H-N 119.729 7.573 W54H-N 131.839 8.516 W54HE1-NE1 131.742 11.516 Q55H-N 124.273 7.617 C56H-N 121.865 8.867 I57H-N 116.777 8.394 E58H-N 120.777 8.004 C59H-N 121.331 7.709 K60H-N 118.419 7.389 T61H-N 117.564 7.894 C62H-N 125.216 8.658 S63H-N 125.11 8.606 S64H-N 117.213 8.711 C65H-N 119.141 8.218 R66H-N 120.652 7.933 D67H-N 120.976 8.327 Q68H-N 123.917 8.799 Q68HE21-NE2 112.563 7.435 Q68HE22-NE2 112.563 6.798 G69H-N 108.773 8.668 K70H-N 120.537 7.737 A72H-N 125.026 8.436 D73H-N 119.041 8.329 N74H-N 116.15 8.3 N74HD21-ND2 113.301 7.905 N74HD22-ND2 113.301 6.912 M75H-N 119.303 7.618 L76H-N 125.212 8.36 F77H-N 117.908 8.196 C78H-N 125.155 9.346 D79H-N 131.735 9.475 S80H-N 116.429 9.715 C81H-N 118.698 8.07 D82H-N 120.561 8.112 R83H-N 119.824 8.916 G84H-N 106.136 9.056 F85H-N 119.0 8.705 H86H-N 122.062 8.755 M87H-N 124.713 8.946 E88H-N 115.775 9.868 C89H-N 118.568 7.795 C90H-N 119.12 6.903 D91H-N 119.087 7.886 L94H-N 122.426 7.748 R96H-N 119.963 7.386 M97H-N 123.915 8.747 K99H-N 121.496 8.439 G100H-N 110.749 8.246 M101H-N 120.938 8.264 W102H-N 128.836 9.555 W102HE1-NE1 128.289 9.666 I103H-N 126.194 6.871 C104H-N 132.227 9.208 Q105H-N 113.729 7.881 Q105HE21-NE2 113.221 7.75 Q105HE22-NE2 113.221 6.921 I106H-N 124.882 8.785 C107H-N 124.112 8.145 R108H-N 119.148 7.926 R110H-N 126.853 8.135