Assignment w1 w2 M1H-N 122.398 8.372 K2H-N 123.808 8.48 S3H-N 117.904 8.365 T4H-N 127.237 9.732 F5H-N 120.694 8.817 K6H-N 114.058 8.339 S7H-N 111.673 7.609 E8H-N 121.931 7.857 Y9H-N 115.971 7.219 F11H-N 125.132 9.356 E12H-N 115.384 9.745 K13H-N 118.364 7.187 R14H-N 121.856 7.753 K15H-N 119.111 8.606 A16H-N 117.818 7.296 E17H-N 119.458 7.905 S18H-N 117.238 8.775 E19H-N 124.518 8.121 R20H-N 121.153 7.856 I21H-N 120.442 8.249 A22H-N 121.49 7.936 D23H-N 114.936 7.41 R24H-N 116.629 7.8 R24HE-NE 117.576 7.421 F25H-N 116.955 8.649 N27H-N 114.843 8.547 N27HD21-ND2 113.391 7.003 N27HD22-ND2 113.391 7.625 R28H-N 117.556 7.64 I29H-N 121.69 9.295 V31H-N 126.862 8.982 I32H-N 127.606 8.817 C33H-N 128.871 9.587 E34H-N 124.399 8.526 K35H-N 123.692 8.985 A36H-N 129.417 8.538 E37H-N 124.998 8.608 K38H-N 115.193 8.51 S39H-N 113.112 7.345 D40H-N 127.329 8.745 I41H-N 123.09 7.657 E43H-N 120.452 8.4 I44H-N 123.362 8.086 D45H-N 123.109 8.479 K46H-N 121.726 7.254 R47H-N 124.949 8.558 K48H-N 121.364 7.32 Y49H-N 125.549 9.601 L50H-N 124.437 8.555 V51H-N 124.106 8.691 A53H-N 123.453 7.994 D54H-N 111.443 8.167 L55H-N 121.118 7.378 T56H-N 114.331 8.47 V57H-N 122.551 8.85 G58H-N 105.431 9.383 Q59H-N 120.982 8.03 Q59HE21-NE2 111.373 6.835 Q59HE22-NE2 111.373 7.522 F60H-N 124.056 8.69 V61H-N 119.377 8.599 Y62H-N 117.678 7.183 V63H-N 119.955 7.345 I64H-N 118.255 7.213 R65H-N 119.285 8.534 K66H-N 115.929 7.613 R67H-N 118.54 7.656 I68H-N 112.428 7.692 M69H-N 118.612 7.846 L70H-N 122.023 7.445 E73H-N 115.155 9.051 K74H-N 121.775 7.786 A75H-N 128.167 8.416 I76H-N 114.451 7.162 F77H-N 124.098 8.935 I78H-N 117.56 8.005 F79H-N 120.94 9.182 V80H-N 118.049 8.818 N81H-N 127.644 9.683 N81HD21-ND2 116.023 7.13 N81HD22-ND2 116.023 8.747 D82H-N 112.822 8.778 T83H-N 112.609 8.071 L84H-N 125.951 8.509 T87H-N 114.865 8.288 A88H-N 119.678 8.032 A89H-N 120.361 7.464 L90H-N 119.426 8.492 M91H-N 121.671 9.228 S92H-N 113.06 8.796 A93H-N 126.805 7.058 I94H-N 118.895 7.897 Y95H-N 120.702 8.882 Q96H-N 115.082 7.765 Q96HE21-NE2 112.137 6.95 Q96HE22-NE2 112.137 7.583 E97H-N 114.426 7.147 H98H-N 113.349 8.263 K99H-N 120.924 8.087 D100H-N 124.196 9.008 K101H-N 125.993 8.695 D102H-N 119.342 10.265 G103H-N 106.132 8.175 F104H-N 121.797 9.578 L105H-N 119.955 8.368 Y106H-N 127.8 9.141 V107H-N 121.44 9.521 T108H-N 119.962 9.041 Y109H-N 119.926 8.471 S110H-N 112.979 9.079 G111H-N 111.053 8.425 E112H-N 118.829 8.414 N113H-N 118.045 8.176 N113HD21-ND2 109.472 6.535 N113HD22-ND2 109.472 6.994 T114H-N 112.653 7.378 F115H-N 121.522 8.034 G116H-N 116.305 7.715