Assignment w1 w2 S6H-N 121.996 8.103 S7H-N 119.715 8.298 A8H-N 126.016 8.119 V9H-N 119.174 7.861 K10H-N 123.999 8.054 C11H-N 121.428 8.539 G12H-N 118.862 9.365 I13H-N 122.885 8.972 C14H-N 118.245 8.466 R15H-N 116.067 7.255 G16H-N 109.951 8.795 V17H-N 113.644 7.266 D18H-N 119.913 8.223 G19H-N 109.534 8.617 K20H-N 121.534 7.318 Y21H-N 119.391 7.661 K22H-N 120.14 8.395 C23H-N 131.127 9.391 K25H-N 120.217 8.55 C26H-N 115.45 7.886 G27H-N 112.961 7.958 V28H-N 123.968 8.348 R29H-N 125.641 8.379 Y30H-N 117.706 8.631 C31H-N 118.515 8.817 S32H-N 114.067 7.4 K34H-N 118.534 8.03 C35H-N 118.7 7.424 Y36H-N 118.151 7.918 K37H-N 114.631 7.939 D38H-N 121.194 7.115 A39H-N 130.311 8.073 A40H-N 117.133 7.839 K41H-N 114.127 7.292 H42H-N 122.11 8.393 V43H-N 123.393 7.811 H44H-N 125.669 8.512 K45H-N 123.564 8.668 E46H-N 122.633 8.59 S47H-N 115.147 8.105 E48H-N 122.849 8.183 Q49H-N 125.043 7.691 Q49HE21-NE2 112.302 7.332 Q49HE22-NE2 112.302 6.661 S6H-N 121.661 8.133 A8H-N 125.911 8.191 V9H-N 118.597 7.916 K10H-N 123.783 8.08 C11H-N 121.553 8.622 G12H-N 118.658 9.457 I13H-N 123.066 9.113 C14H-N 118.474 8.591 R15H-N 116.377 7.42 G16H-N 109.566 8.87 V17H-N 114.553 7.31 D18H-N 120.828 8.288 G19H-N 109.526 8.734 K20H-N 121.934 7.403 Y21H-N 119.08 7.755 K22H-N 120.09 8.453 C23H-N 130.879 9.486 K25H-N 120.173 8.675 C26H-N 115.641 8.022 G27H-N 112.972 8.109 V28H-N 123.826 8.445 R29H-N 125.648 8.456 Y30H-N 117.861 8.777 C31H-N 118.826 8.98 S32H-N 114.256 7.553 K34H-N 118.571 8.073 C35H-N 118.879 7.521 Y36H-N 118.172 8.033 K37H-N 114.685 8.047 D38H-N 121.317 7.253 A39H-N 130.374 8.127 A40H-N 117.342 7.972 K41H-N 114.215 7.459 H42H-N 122.071 8.496 V43H-N 123.322 7.86 E46H-N 122.521 8.635 S47H-N 115.264 8.17 E48H-N 122.887 8.291 Q49H-N 125.208 7.797 Q49HE21-NE2 111.966 7.422 Q49HE22-NE2 111.966 6.738