Assignment w1 w2 Y1H-N 120.6 8.416 K2H-N 120.0 7.955 K3H-N 131.14 8.06 K5H-N 119.1 9.357 L6H-N 117.4 8.944 L7H-N 125.0 10.297 Y8H-N 125.0 8.483 C9H-N 130.104 9.235 S10H-N 122.6 8.173 N11H-N 119.55 7.45 G12H-N 109.3 7.096 G13H-N 109.3 7.096 H14H-N 113.6 6.302 F15H-N 120.7 9.298 L16H-N 124.7 8.48 R17H-N 126.971 9.339 I18H-N 120.966 6.989 L19H-N 128.097 8.94 D21H-N 114.0 7.415 G22H-N 109.1 8.404 T23H-N 116.8 7.894 V24H-N 123.1 7.792 D25H-N 131.2 8.906 G26H-N 102.5 7.891 T27H-N 112.7 8.529 R28H-N 127.5 8.993 D29H-N 121.0 8.323 R30H-N 126.1 8.342 S31H-N 113.6 8.379 D32H-N 125.0 7.105 Q33H-N 124.7 8.775 Q33HE21-NE2 112.0 7.36 Q33HE22-NE2 112.0 6.66 H34H-N 116.7 9.681 I35H-N 108.6 6.711 Q36H-N 120.018 7.178 Q36HE21-NE2 110.1 7.438 Q36HE22-NE2 110.1 6.63 L37H-N 127.6 9.11 Q38H-N 120.583 9.556 L39H-N 131.7 8.926 S40H-N 115.9 8.569 A41H-N 125.9 8.357 E42H-N 125.4 8.485 S43H-N 113.9 8.02 V44H-N 121.1 8.113 G45H-N 115.545 8.807 E46H-N 121.2 7.985 V47H-N 116.4 9.56 Y48H-N 117.4 8.415 I49H-N 123.1 10.532 K50H-N 122.8 9.111 S51H-N 117.579 8.92 T52H-N 123.2 8.342 E53H-N 122.0 8.312 T54H-N 103.1 7.724 G55H-N 110.7 7.643 Q56H-N 115.0 7.281 Q56HE21-NE2 106.6 7.02 Q56HE22-NE2 106.6 6.38 Y57H-N 119.4 9.254 L58H-N 123.6 9.126 A59H-N 126.947 8.656 M60H-N 116.602 7.521 D61H-N 128.445 9.159 T62H-N 107.806 7.972 D63H-N 119.831 8.333 G64H-N 109.142 8.264 L65H-N 123.137 8.636 L66H-N 124.493 7.431 Y67H-N 120.36 9.237 G68H-N 105.646 8.928 S69H-N 120.1 9.608 Q70H-N 127.339 9.343 Q70HE21-NE2 112.2 7.36 Q70HE22-NE2 112.2 6.86 T71H-N 108.1 7.532 N73H-N 119.2 7.321 E75H-N 119.2 8.574 C76H-N 113.8 7.727 L77H-N 118.069 6.241 F78H-N 122.377 9.067 L79H-N 122.126 9.958 E80H-N 126.3 8.347 R81H-N 129.522 8.84 L82H-N 125.7 8.347 E83H-N 116.1 7.204 E84H-N 120.3 8.626 N85H-N 114.8 8.429 H86H-N 108.737 8.081 Y87H-N 117.738 7.632 N88H-N 118.891 9.84 N88HD21-ND2 106.93 6.72 N88HD22-ND2 106.93 6.5 T89H-N 108.521 8.38 Y90H-N 119.0 10.247 I91H-N 122.546 8.781 S92H-N 120.2 8.191 K93H-N 130.618 7.993 K94H-N 120.044 8.616 H95H-N 114.486 7.249 A96H-N 125.204 7.104 E97H-N 118.007 8.857 K98H-N 116.241 7.196 N99H-N 113.0 7.842 N99HD21-ND2 112.85 7.4 N99HD22-ND2 112.85 6.47 W100H-N 116.0 6.369 F101H-N 124.185 8.026 V102H-N 120.282 8.499 G103H-N 114.668 8.996 L104H-N 119.1 8.118 K105H-N 118.9 8.847 K106H-N 122.172 8.98 N107H-N 112.743 7.352 G108H-N 109.9 7.656 S109H-N 112.357 7.28 C110H-N 119.883 9.07 K111H-N 128.642 8.095 R112H-N 124.7 8.566 G113H-N 106.636 9.408 R115H-N 114.5 8.067 T116H-N 111.716 7.643 H117H-N 112.914 7.091 Y118H-N 123.051 9.02 G119H-N 116.885 7.999 Q120H-N 118.266 7.003 K121H-N 121.222 8.477 A122H-N 116.019 7.526 I123H-N 101.2 5.794 L124H-N 121.554 6.716 F125H-N 121.9 9.226 L126H-N 125.427 9.932 L128H-N 129.196 9.674 V130H-N 116.125 6.392