Assignment w1 w2 S4H-N 120.025 8.416 V5H-N 122.043 8.237 T6H-N 120.978 8.189 I8H-N 121.7 8.169 R9H-N 126.017 8.328 R9HE-NE 84.434 7.249 D10H-N 122.918 8.603 T11H-N 115.388 8.312 K12H-N 125.034 8.393 L14H-N 118.37 6.202 T15H-N 112.24 7.38 L16H-N 123.829 8.826 E17H-N 121.574 8.951 V18H-N 123.708 8.213 C19H-N 129.577 9.224 F22H-N 128.4 9.818 Q23H-N 117.5 7.809 Q23HE21-NE2 110.907 6.704 Q23HE22-NE2 110.907 7.487 R24H-N 115.693 7.279 G25H-N 108.586 7.658 T26H-N 109.213 8.161 C27H-N 124.504 7.741 R29H-N 124.971 8.88 R29HE-NE 84.016 7.323 D31H-N 123.444 9.035 T32H-N 104.287 7.156 E33H-N 117.606 7.572 C34H-N 122.345 7.27 K35H-N 125.133 8.101 F36H-N 118.013 8.22 A37H-N 117.082 8.385 H38H-N 122.775 9.672 S40H-N 116.428 7.525 K41H-N 120.603 8.737 S42H-N 111.455 7.765 C43H-N 119.769 7.244 Q44H-N 125.096 8.765 V45H-N 127.15 8.509 E46H-N 126.553 8.53 N47H-N 125.594 9.583 G48H-N 102.215 8.55 R49H-N 119.561 7.761 V50H-N 117.657 8.891 I51H-N 127.024 8.212 A52H-N 127.663 8.712 C53H-N 121.994 8.609 F54H-N 104.604 11.177 D55H-N 121.422 9.065 S56H-N 121.716 9.339 L57H-N 125.288 7.747 K58H-N 113.723 6.87 G59H-N 108.485 7.553 R60H-N 115.874 8.001 R60HE-NE 84.969 7.233 C61H-N 123.318 7.904 S62H-N 126.266 9.273 R63H-N 123.408 7.842 E64H-N 124.375 8.883 N65H-N 118.368 8.349 N65HD21-ND2 113.601 7.54 N65HD22-ND2 113.601 6.848 C66H-N 123.316 7.905 K67H-N 128.34 8.459 Y68H-N 123.116 8.31 L69H-N 122.316 8.963 H70H-N 130.191 9.112 L75H-N 121.751 6.487 K76H-N 122.096 8.064 T77H-N 114.313 7.894 Q78H-N 119.518 6.968 L79H-N 119.568 8.056 E80H-N 118.557 8.144 I81H-N 121.327 8.069 N82H-N 120.01 8.45 G83H-N 109.194 8.994 R84H-N 122.607 7.792 N85H-N 118.095 8.072 N86H-N 117.52 7.703 L87H-N 118.648 7.351 I88H-N 119.32 7.614 Q89H-N 122.18 8.062 Q90H-N 120.869 8.116 K91H-N 122.61 8.141 N92H-N 125.402 7.951