Assignment w1 w2 A2H-N 123.457 8.621 E3H-N 121.243 8.511 K4H-N 123.586 8.36 K5H-N 123.579 8.726 A6H-N 122.58 9.103 V7H-N 124.594 9.575 L8H-N 127.908 7.87 F9H-N 125.291 8.307 V10H-N 121.744 8.85 C11H-N 123.747 8.441 L12H-N 121.581 8.088 G13H-N 102.292 8.359 N14H-N 119.996 9.094 N14HD21-ND2 113.993 7.661 N14HD22-ND2 113.993 7.021 I15H-N 103.577 8.043 C16H-N 122.72 8.282 R17H-N 115.833 8.27 A20H-N 117.378 6.47 C21H-N 114.932 7.597 E22H-N 118.842 7.855 G23H-N 104.151 8.027 I24H-N 123.614 8.687 C25H-N 120.119 8.589 R26H-N 118.999 8.616 R26HE-NE 118.363 7.235 D27H-N 120.008 8.112 M28H-N 115.6 7.807 V29H-N 109.209 8.394 G30H-N 114.927 8.663 D31H-N 122.887 8.553 K32H-N 117.442 7.754 L33H-N 113.221 6.941 I34H-N 123.288 8.802 I35H-N 127.821 8.614 D36H-N 125.991 8.696 S37H-N 114.879 8.747 A38H-N 118.708 8.505 A39H-N 119.693 9.011 T40H-N 108.727 8.516 S41H-N 118.229 8.426 G42H-N 111.064 8.73 F43H-N 118.46 7.768 H44H-N 113.273 8.81 V45H-N 117.662 6.82 G46H-N 114.248 9.115 Q47H-N 119.116 8.024 Q47HE21-NE2 112.583 7.318 Q47HE22-NE2 112.583 7.831 S48H-N 119.292 8.718 D50H-N 123.779 8.995 T51H-N 123.216 9.155 R52H-N 122.227 9.193 R52HE-NE 83.372 7.197 S53H-N 116.423 7.333 Q54H-N 118.892 8.684 Q54HE21-NE2 112.913 7.339 Q54HE22-NE2 112.913 7.819 K55H-N 118.875 8.386 V56H-N 117.931 7.515 C57H-N 120.638 7.791 K58H-N 124.069 8.789 S59H-N 116.454 8.283 N60H-N 117.869 7.275 N60HD21-ND2 117.09 6.631 N60HD22-ND2 117.09 6.983 G61H-N 106.615 7.823 V62H-N 123.149 8.194 D63H-N 126.789 8.921 I64H-N 120.59 8.706 S65H-N 116.733 8.431 K66H-N 120.675 8.484 Q67H-N 120.25 7.278 Q67HE21-NE2 106.667 6.436 Q67HE22-NE2 106.667 7.434 R68H-N 119.811 8.53 R68HE-NE 120.25 7.191 A69H-N 124.881 8.65 R70H-N 121.749 9.104 R70HE-NE 119.733 7.398 Q71H-N 122.796 9.005 Q71HE21-NE2 110.335 7.163 Q71HE22-NE2 110.335 6.85 I72H-N 127.588 9.124 T73H-N 118.386 9.338 K74H-N 120.568 8.784 A75H-N 121.61 8.334 D76H-N 118.934 8.014 F77H-N 114.335 7.555 S78H-N 111.181 7.807 K79H-N 121.094 7.415 F80H-N 113.963 6.974 D81H-N 117.233 8.538 V82H-N 118.63 7.86 I83H-N 127.884 9.083 A84H-N 130.113 9.216 A85H-N 125.546 9.283 L86H-N 120.34 7.522 D87H-N 110.7 7.422 Q88H-N 116.084 9.129 Q88HE21-NE2 111.44 7.54 Q88HE22-NE2 111.44 6.835 S89H-N 120.591 8.657 I90H-N 124.566 8.537 L91H-N 120.45 8.057 S92H-N 112.805 7.907 D93H-N 122.628 7.89 I94H-N 120.427 8.895 N95H-N 118.663 8.713 N95HD21-ND2 109.531 6.802 N95HD22-ND2 109.531 7.369 S96H-N 115.205 7.965 M97H-N 118.285 7.472 K98H-N 122.691 7.097 S100H-N 116.876 8.609 N101H-N 117.835 8.415 N101HD21-ND2 112.99 6.931 N101HD22-ND2 112.99 7.631 C102H-N 116.28 7.909 R103H-N 123.783 8.438 R103HE-NE 119.577 7.034 A104H-N 119.161 8.032 K105H-N 121.12 7.921 V106H-N 126.762 8.757 V107H-N 120.751 8.98 L108H-N 122.998 8.742 F109H-N 128.728 8.793 N110H-N 121.092 8.275 N110HD21-ND2 110.627 6.834 N110HD22-ND2 110.627 7.088 N113H-N 118.797 8.7 N113HD21-ND2 113.601 7.663 N113HD22-ND2 113.601 7.04 G114H-N 112.693 8.659 V115H-N 124.665 9.091 D116H-N 127.311 8.342 D117H-N 122.625 8.866 Y119H-N 121.3 7.998 Y120H-N 115.938 8.34 S121H-N 115.564 7.797 S122H-N 118.073 8.992 D123H-N 120.581 8.477 G124H-N 106.27 8.28 F125H-N 120.51 8.799 T127H-N 115.005 7.777 M128H-N 123.774 7.998 F129H-N 118.368 8.383 A130H-N 121.738 8.422 S131H-N 114.271 8.585 I132H-N 119.92 7.974 S133H-N 112.673 8.282 K134H-N 119.236 8.064 E135H-N 116.605 7.255 M136H-N 119.904 7.789 K137H-N 118.079 9.443 F139H-N 119.22 8.455 L140H-N 119.49 8.858 T141H-N 114.626 8.479 E142H-N 123.95 8.666 H143H-N 111.279 6.88 G144H-N 108.221 7.703 L145H-N 118.673 8.265 I146H-N 116.669 6.987