Assignment w1 w2 D6H-N 123.046 8.239 S7H-N 118.994 8.512 S8H-N 118.533 8.475 K9H-N 120.773 8.177 D10H-N 123.468 8.113 S11H-N 111.641 8.302 I12H-N 112.176 7.326 T13H-N 118.52 7.537 V14H-N 116.646 9.06 F15H-N 124.397 9.304 V16H-N 130.411 8.679 S17H-N 119.675 9.397 N18H-N 115.373 8.504 N18HD21-ND2 115.373 8.312 N18HD22-ND2 115.373 7.107 L19H-N 118.431 7.73 Y21H-N 121.988 7.911 S22H-N 108.088 7.663 M23H-N 123.594 7.457 Q24H-N 126.043 8.609 Q24HE21-NE2 113.079 7.526 Q24HE22-NE2 113.079 6.891 E25H-N 116.588 8.872 D27H-N 112.047 8.998 T28H-N 113.967 7.527 K29H-N 119.609 7.88 L30H-N 114.415 8.012 R31H-N 119.87 7.751 L33H-N 115.295 6.78 F34H-N 114.352 7.624 E35H-N 121.253 8.829 A36H-N 119.921 7.105 C37H-N 114.281 7.998 G38H-N 106.636 7.464 E39H-N 116.781 8.103 V40H-N 128.931 8.954 V41H-N 129.422 9.135 Q42H-N 115.057 7.495 Q42HE21-NE2 111.787 7.629 Q42HE22-NE2 111.787 6.833 I43H-N 123.273 8.666 R44H-N 127.562 9.27 I46H-N 121.354 7.694 F47H-N 117.427 7.157 N49H-N 125.582 8.723 N49HD21-ND2 112.341 7.714 N49HD22-ND2 112.341 6.972 R50H-N 116.96 9.446 G51H-N 107.528 7.943 D52H-N 118.328 7.88 F53H-N 126.19 9.535 R54H-N 124.422 8.265 Y56H-N 112.436 5.975 C57H-N 114.59 8.986 Y58H-N 120.061 8.222 V59H-N 123.311 8.882 E60H-N 127.747 8.686 F61H-N 126.06 9.264 K62H-N 117.089 7.938 E63H-N 113.591 8.041 E64H-N 124.343 9.147 K65H-N 117.54 8.914 S66H-N 115.834 7.13 A67H-N 122.816 6.696 L68H-N 115.761 7.705 Q69H-N 119.85 7.634 Q69HE21-NE2 111.284 7.321 Q69HE22-NE2 111.284 6.744 A70H-N 122.596 8.003 L71H-N 115.351 7.536 E72H-N 117.094 7.745 M73H-N 116.934 7.92 D74H-N 117.812 7.287 R75H-N 120.41 9.442 K76H-N 122.36 8.175 S77H-N 118.268 8.419 V78H-N 127.994 8.82 E79H-N 123.457 9.128 G80H-N 101.917 8.235 R81H-N 122.02 7.788 M83H-N 124.877 8.61 F84H-N 124.575 8.317 V85H-N 123.953 9.664 S86H-N 121.437 9.262 C88H-N 118.681 8.54 V89H-N 118.519 7.603 D90H-N 124.656 8.477 K91H-N 123.782 8.452 S92H-N 116.885 8.435 K93H-N 122.75 8.018 N94H-N 125.074 7.932 N94HD21-ND2 112.573 7.455 N94HD22-ND2 112.573 6.778