Assignment w1 w2 S1H-N 119.182 8.474 A2H-N 125.101 8.495 S3H-N 113.806 8.287 D4H-N 123.362 8.026 I5H-N 121.174 8.064 R6H-N 121.132 8.081 M7H-N 117.294 8.205 K8H-N 120.168 8.069 K9H-N 120.294 7.863 V10H-N 119.561 8.42 M11H-N 118.347 8.12 Q12H-N 119.414 7.522 Q12HE21-NE2 111.86 7.313 Q12HE22-NE2 111.86 6.786 Y13H-N 120.454 7.924 R14H-N 118.98 8.819 R15H-N 119.517 7.957 A16H-N 121.268 7.754 L17H-N 115.432 8.411 T18H-N 116.53 7.342 K19H-N 129.98 8.774 V20H-N 123.539 8.555 V21H-N 121.748 9.076 K22H-N 119.249 7.605 L23H-N 129.385 8.898 K24H-N 126.377 8.705 T25H-N 119.846 8.828 L27H-N 118.088 7.922 F28H-N 117.502 7.399 S29H-N 117.502 8.499 E30H-N 123.443 8.628 T31H-N 121.002 8.91 V32H-N 120.514 9.285 K33H-N 120.981 8.522 V34H-N 127.314 9.41 T35H-N 117.105 8.978 C36H-N 114.386 8.635 S37H-N 115.557 8.96 K38H-N 119.512 8.902 D39H-N 112.227 7.489 G40H-N 109.802 7.941 E41H-N 111.253 7.322 E42H-N 118.577 8.199 V43H-N 124.703 8.489 Q44H-N 122.524 8.36 Q44HE21-NE2 110.472 6.573 Q44HE22-NE2 110.472 7.553 W45H-N 112.759 7.451 W45HE1-NE1 128.4 9.45 F46H-N 118.039 9.059 K47H-N 122.58 8.642 G48H-N 110.784 8.822 A52H-N 122.563 8.196 G53H-N 108.242 8.315 A54H-N 123.45 8.024 Q55H-N 118.644 8.4 Q55HE21-NE2 112.425 7.45 Q55HE22-NE2 112.425 6.816 D56H-N 120.202 8.167 R57H-N 120.263 8.167 K58H-N 120.432 8.094 K59H-N 122.064 8.142 S61H-N 117.773 8.565 G62H-N 107.167 6.648 G63H-N 130.956 7.1 F64H-N 113.379 8.347 V66H-N 124.723 8.678 D67H-N 116.595 8.89 K68H-N 116.331 7.321 I69H-N 121.409 7.455 T70H-N 120.041 9.333 S71H-N 114.943 7.541 V72H-N 124.965 8.469 K73H-N 124.729 8.811 S74H-N 118.855 8.721 Q75H-N 123.362 8.633 Q75HE21-NE2 112.229 6.691 Q75HE22-NE2 112.229 7.647 A76H-N 129.026 8.794 D77H-N 112.147 8.288 N78H-N 115.915 7.267 N78HD21-ND2 112.76 7.609 N78HD22-ND2 112.76 6.893 T79H-N 113.5 8.56 K80H-N 119.516 8.134 V81H-N 120.004 7.705 L82H-N 128.611 9.608 V83H-N 126.846 9.338 I84H-N 130.854 9.465 T85H-N 123.362 8.863 V86H-N 126.681 8.931 N87H-N 125.966 8.16 N87HD21-ND2 112.76 7.451 N87HD22-ND2 112.76 7.451 N88H-N 119.992 7.985 N88HD21-ND2 110.081 7.85 N88HD22-ND2 110.081 7.137 Q90H-N 121.6 7.888 T92H-N 123.209 9.158 T93H-N 119.065 8.178 Y94H-N 125.073 9.306 N95H-N 121.548 8.262 N95HD21-ND2 111.253 6.91 N95HD22-ND2 111.253 6.453 F96H-N 126.578 9.731 T97H-N 118.445 9.154 F98H-N 128.198 9.01 K99H-N 117.604 9.434 S100H-N 108.361 7.539 G102H-N 130.367 8.506 E103H-N 122.112 7.774 R104H-N 120.835 7.326 R104HE-NE 107.737 6.596 E105H-N 119.336 8.776 S106H-N 113.901 7.977 W107H-N 124.488 7.908 W107HE1-NE1 131.0 11.056 Q108H-N 117.866 8.838 Q108HE21-NE2 107.151 7.053 Q108HE22-NE2 107.151 6.621 E109H-N 118.503 8.026 Q110H-N 118.872 7.988 Q110HE21-NE2 111.86 7.31 Q110HE22-NE2 111.86 6.782 I111H-N 120.761 8.907 Q112H-N 121.414 7.548 Q112HE21-NE2 110.862 7.164 Q112HE22-NE2 110.862 7.099 S113H-N 115.951 7.907 L114H-N 124.968 8.538 M115H-N 117.683 8.405 K116H-N 119.003 7.484 F117H-N 122.82 8.638 M118H-N 115.585 8.616 S119H-N 114.162 7.575 M120H-N 121.578 7.424 K121H-N 127.659 7.739