Assignment w1 w2 A6H-N 126.143 8.422 S7H-N 114.913 8.201 A8H-N 126.1 8.251 S9H-N 114.908 8.171 Y10H-N 122.007 8.126 D11H-N 122.314 8.289 S12H-N 116.234 8.155 E13H-N 122.859 8.502 E14H-N 121.343 8.316 E17H-N 122.663 8.47 G18H-N 109.349 8.413 L19H-N 123.778 8.232 M21H-N 122.251 8.598 S22H-N 119.631 9.192 Y23H-N 122.238 9.045 D24H-N 117.265 8.403 E25H-N 120.117 7.767 K26H-N 121.643 8.189 R27H-N 119.804 8.483 Q28H-N 119.469 7.975 Q28HE21-NE2 116.682 7.908 Q28HE22-NE2 116.682 6.766 L29H-N 120.113 7.815 S30H-N 112.475 7.604 L31H-N 120.599 7.584 D32H-N 120.783 8.655 I33H-N 120.466 8.731 N34H-N 115.522 7.621 N34HD21-ND2 112.082 7.612 N34HD22-ND2 112.082 6.719 R35H-N 116.466 7.532 L36H-N 122.455 7.529 G38H-N 110.438 8.831 E39H-N 119.188 9.393 K40H-N 116.634 7.971 L41H-N 121.129 7.805 G42H-N 107.984 8.348 R43H-N 120.643 7.695 V44H-N 119.002 7.206 V45H-N 117.24 7.318 H46H-N 118.575 7.778 I47H-N 121.8 8.509 I48H-N 117.416 7.571 Q49H-N 116.242 8.725 Q49HE21-NE2 110.991 7.251 Q49HE22-NE2 110.991 6.664 S50H-N 111.916 8.038 R51H-N 118.831 7.381 E52H-N 118.602 7.897 S54H-N 112.965 8.319 L55H-N 122.774 8.019 R56H-N 121.292 7.798 D57H-N 119.411 8.266 S58H-N 115.662 7.805 N59H-N 122.422 8.586 N59HD21-ND2 113.395 7.714 N59HD22-ND2 113.395 7.07 D61H-N 116.074 8.21 E62H-N 118.669 7.633 E64H-N 126.166 8.328 I65H-N 126.24 9.04 D66H-N 126.093 8.745 T69H-N 107.6 7.52 L70H-N 122.254 6.862 K71H-N 123.525 10.059 T73H-N 106.169 7.839 T74H-N 121.316 7.317 L75H-N 120.43 7.939 R76H-N 115.992 8.262 E77H-N 123.192 8.0 L78H-N 120.256 8.484 E79H-N 120.539 8.603 R80H-N 118.97 8.092 Y81H-N 120.921 8.16 V82H-N 121.217 9.127 K83H-N 119.181 8.165 S84H-N 114.24 7.629 C85H-N 118.751 7.509 L86H-N 119.329 7.666 Q87H-N 119.489 7.83 Q87HE21-NE2 112.153 7.521 Q87HE22-NE2 112.153 6.869 K88H-N 122.151 8.156 K89H-N 122.579 8.277 R91H-N 123.474 8.419 K92H-N 122.799 8.07