Assignment w1 w2 K2H-N 120.843 7.97 Y3H-N 122.249 8.145 L4H-N 123.177 8.61 V5H-N 112.163 7.073 E6H-N 123.421 8.092 F7H-N 115.209 8.269 R8H-N 121.068 9.997 A9H-N 125.989 7.994 G10H-N 108.882 8.704 K11H-N 118.724 9.442 M12H-N 114.037 7.307 S13H-N 115.443 8.76 L14H-N 125.989 8.574 K15H-N 129.738 8.593 G16H-N 117.552 8.992 T17H-N 118.49 8.775 T18H-N 119.896 8.047 V19H-N 132.082 8.908 T20H-N 119.761 8.483 D22H-N 123.89 8.727 K23H-N 124.583 8.888 R24H-N 118.256 8.375 R24HE-NE 83.062 8.1 K25H-N 122.708 8.712 G26H-N 113.1 9.366 L27H-N 125.754 8.092 V28H-N 126.223 8.451 Y29H-N 118.49 7.647 I30H-N 116.146 7.536 Q31H-N 127.64 9.021 Q31HE21-NE2 110.281 6.742 Q31HE22-NE2 110.281 7.222 Q32H-N 127.875 9.136 Q32HE21-NE2 109.97 7.082 Q32HE22-NE2 109.97 7.364 T33H-N 118.483 9.051 D34H-N 120.599 8.806 D35H-N 118.256 7.878 S36H-N 112.163 8.467 L37H-N 123.656 7.948 I38H-N 121.536 8.346 H39H-N 123.421 8.948 F40H-N 127.16 9.652 C41H-N 125.051 8.141 W42H-N 118.302 8.267 W42HE1-NE1 127.136 10.164 K43H-N 126.926 8.386 D44H-N 123.411 7.735 R45H-N 125.52 8.637 T46H-N 116.615 8.963 S47H-N 115.209 7.955 G48H-N 111.766 8.07 N49H-N 118.234 7.913 N49HD21-ND2 112.108 7.01 N49HD22-ND2 112.108 7.608 V50H-N 126.692 8.786 E51H-N 129.504 8.202 D52H-N 116.849 8.03 D53H-N 121.302 8.442 L54H-N 126.565 9.15 I55H-N 123.88 8.267 I56H-N 129.035 8.003 F57H-N 129.738 9.155 D59H-N 119.069 9.078 D60H-N 120.14 8.189 C61H-N 115.687 9.222 E62H-N 117.084 8.024 F63H-N 128.098 9.468 K64H-N 124.583 8.957 R65H-N 123.88 8.745 V66H-N 127.395 8.529 Q68H-N 116.368 8.246 Q68HE21-NE2 111.904 6.993 Q68HE22-NE2 111.904 7.768 C69H-N 117.552 6.678 G72H-N 108.648 7.548 Y75H-N 126.692 9.448 V76H-N 119.427 9.205 L77H-N 128.567 9.474 K78H-N 126.926 9.06 F79H-N 126.692 7.713 K80H-N 123.177 8.332 A81H-N 121.536 8.99 G82H-N 108.016 8.0 S83H-N 115.451 8.125 K84H-N 123.187 7.958 R85H-N 128.098 8.428 L86H-N 122.005 8.15 F87H-N 119.662 8.094 F88H-N 117.084 9.358 W89H-N 118.256 9.09 W89HE1-NE1 129.573 10.515 M90H-N 120.599 9.25 Q91H-N 117.318 8.447 E92H-N 119.896 6.702 K94H-N 114.272 8.04 T95H-N 111.46 8.68 D96H-N 119.662 8.251 Q97H-N 115.209 8.231 Q97HE21-NE2 112.514 6.774 Q97HE22-NE2 112.514 7.481 D98H-N 122.471 7.638 E99H-N 116.849 8.329 E100H-N 122.942 7.932 H101H-N 118.734 8.594 C102H-N 117.562 7.936 R103H-N 120.609 8.482 R103HE-NE 83.469 7.725 K104H-N 118.959 8.643 V105H-N 118.021 8.167 N106H-N 113.569 7.511 N106HD21-ND2 120.029 8.933 N106HD22-ND2 120.029 7.446 E107H-N 119.662 8.431 Y108H-N 115.912 8.262 L109H-N 111.225 7.81 N110H-N 110.757 7.426 N110HD21-ND2 114.951 7.161 N110HD22-ND2 114.951 7.673 N111H-N 119.896 8.374 N111HD21-ND2 112.717 6.82 N111HD22-ND2 112.717 7.608 E2H-N 121.99 8.441 E4H-N 120.409 8.36 E7H-N 118.201 7.935 F9H-N 116.599 7.869 E10H-N 119.256 8.451 Y11H-N 126.402 9.116 I12H-N 126.987 7.585 D13H-N 124.902 7.941 D14H-N 126.527 7.839