Assignment w1 w2 S5H-N 115.316 8.322 G6H-N 110.65 8.384 H7H-N 119.434 8.161 K8H-N 124.853 8.241 E12H-N 121.099 8.542 D14H-N 119.405 7.535 W15H-N 126.337 8.793 S16H-N 119.5 8.989 N17H-N 119.066 8.595 N17HD21-ND2 112.269 6.822 N17HD22-ND2 112.269 7.581 T18H-N 121.11 8.5 V19H-N 119.203 9.201 V21H-N 121.649 8.096 N22H-N 114.315 9.112 N22HD21-ND2 117.961 8.536 N22HD22-ND2 117.961 9.05 K23H-N 127.21 9.127 T24H-N 106.49 7.707 I25H-N 121.481 8.212 V27H-N 120.754 7.94 D28H-N 124.944 8.405 T29H-N 114.484 8.107 Q30H-N 122.267 8.453 Q30HE21-NE2 112.626 6.845 Q30HE22-NE2 112.626 7.579 G31H-N 109.977 8.455 G32H-N 108.834 8.323 R33H-N 120.378 8.232 N34H-N 120.215 8.601 N34HD21-ND2 113.185 6.91 N34HD22-ND2 113.185 7.605 E35H-N 121.609 8.385 S36H-N 122.162 7.987 A11H-N 123.666 8.062 K12H-N 117.034 8.166 N13H-N 119.791 8.95 N13HD21-ND2 121.468 6.183 N13HD22-ND2 121.468 9.199 Y14H-N 122.697 9.026 Q15H-N 122.809 7.978 Q15HE21-NE2 112.857 6.966 Q15HE22-NE2 112.857 7.719 Y16H-N 121.836 8.222 V17H-N 116.063 9.241 M18H-N 117.13 9.83 S19H-N 116.889 8.146 E20H-N 126.586 8.666 Q21H-N 128.562 8.484 Q21HE21-NE2 116.824 7.895 Q21HE22-NE2 116.824 8.166 E23H-N 117.746 10.323 M24H-N 116.281 8.133 R25H-N 117.748 7.196 S26H-N 113.138 8.611 I27H-N 112.318 7.324 Q28H-N 118.523 7.136 Q28HE21-NE2 111.212 7.401 Q28HE22-NE2 111.212 7.919 V30H-N 118.638 8.792 H31H-N 108.975 7.037 V32H-N 121.453 8.181 W33H-N 124.167 8.229 W33HE1-NE1 129.891 10.481 D34H-N 115.446 8.721 N35H-N 121.117 8.362 N35HD21-ND2 110.806 6.496 N35HD22-ND2 110.806 7.799 Y36H-N 115.525 10.105 R37H-N 119.047 7.61 F38H-N 117.791 8.959 T39H-N 115.56 8.802 R40H-N 125.183 8.684 F41H-N 118.332 8.649 E42H-N 123.48 8.865 F43H-N 126.493 8.993 A45H-N 124.789 8.707 N46H-N 114.298 8.856 N46HD21-ND2 113.528 6.92 N46HD22-ND2 113.528 7.572 A47H-N 121.83 7.526 E48H-N 122.97 8.205 L49H-N 125.993 8.265 Q51H-N 113.706 8.246 Q51HE21-NE2 113.178 6.764 Q51HE22-NE2 113.178 7.546 V52H-N 121.413 8.1 Y53H-N 122.972 9.215 M54H-N 121.731 9.256 I55H-N 122.454 7.637 S56H-N 124.488 8.627 G59H-N 110.976 8.113 K60H-N 119.692 7.343 E61H-N 125.789 8.839 T62H-N 118.298 9.25 L63H-N 127.529 8.787 N65H-N 119.599 8.771 N65HD21-ND2 113.0 6.981 N65HD22-ND2 113.0 7.71 S66H-N 116.551 8.11 H67H-N 115.264 8.572 V68H-N 123.512 8.624 V69H-N 123.712 9.493 G70H-N 105.0 7.896 N72H-N 114.07 8.919 N72HD21-ND2 114.056 7.093 N72HD22-ND2 114.056 7.594 R73H-N 115.347 8.038 N74H-N 111.103 8.507 N74HD21-ND2 114.266 7.5 I75H-N 120.48 7.931 I76H-N 126.375 9.357 E77H-N 129.238 9.264 V78H-N 126.542 9.437 E79H-N 129.127 8.634 T80H-N 115.439 8.409 V81H-N 119.34 8.177 A82H-N 126.924 9.365 K83H-N 118.367 7.545 E84H-N 116.687 7.717 W85H-N 120.979 9.309 W85HE1-NE1 129.892 10.52 R86H-N 123.706 10.065 I87H-N 126.323 9.31 R88H-N 124.202 9.29 L89H-N 121.816 7.465 G90H-N 121.03 9.479 D91H-N 127.554 8.786 K92H-N 117.616 8.184 V93H-N 122.458 8.388 V94H-N 127.624 9.042 G95H-N 114.83 8.527 V96H-N 122.611 8.497 R97H-N 128.124 9.797 N98H-N 122.936 9.036 N98HD21-ND2 107.07 6.521 N98HD22-ND2 107.07 7.371 N99H-N 124.581 8.966 N99HD21-ND2 110.54 6.368 N99HD22-ND2 110.54 7.735 N100H-N 120.805 8.395 N100HD21-ND2 111.25 6.782 N100HD22-ND2 111.25 7.123 F101H-N 121.793 7.847 A102H-N 131.385 8.241 G104H-N 109.218 8.397 A105H-N 123.756 8.086 G106H-N 107.978 8.352 A107H-N 123.736 8.01 V108H-N 119.188 8.039 A109H-N 127.967 8.406 T110H-N 113.394 8.136 G111H-N 111.234 8.414 T112H-N 113.935 8.066 A113H-N 126.773 8.344 S114H-N 116.938 8.319 D116H-N 120.152 8.331 V117H-N 120.568 7.953 R118H-N 124.245 8.311 R119H-N 122.807 8.298 V120H-N 121.669 8.138 Q121H-N 124.626 8.47 I122H-N 122.988 8.284 G123H-N 113.362 8.49 E124H-N 120.434 8.247 D125H-N 121.416 8.445 N126H-N 124.221 7.932