Assignment w1 w2 I3H-N 120.548 8.407 K4H-N 122.309 8.297 S5H-N 118.521 8.17 Q6H-N 122.86 8.733 Q6HE21-NE2 111.397 7.336 Q6HE22-NE2 111.397 6.943 T7H-N 116.217 8.488 L8H-N 122.493 7.708 Y9H-N 120.542 9.07 L10H-N 122.097 8.602 N11H-N 119.1 8.206 N11HD21-ND2 110.528 7.571 N11HD22-ND2 110.528 6.974 L12H-N 123.228 8.999 S13H-N 116.076 8.372 E14H-N 120.771 8.017 A15H-N 123.85 7.995 Y16H-N 114.917 8.037 K17H-N 112.428 7.08 D18H-N 123.157 7.649 E20H-N 116.033 8.608 V21H-N 119.68 7.433 K22H-N 117.503 7.949 A23H-N 115.284 7.259 N24H-N 120.344 7.806 N24HD21-ND2 114.09 8.216 N24HD22-ND2 114.09 6.938 E25H-N 129.468 9.238 F26H-N 118.283 8.192 L27H-N 118.479 8.761 S28H-N 114.902 8.763 K29H-N 120.371 7.774 L30H-N 120.74 7.597 V31H-N 118.075 8.345 V32H-N 119.991 8.147 Q33H-N 121.079 8.546 Q33HE21-NE2 110.337 7.38 Q33HE22-NE2 110.337 6.786 C34H-N 117.15 8.353 A35H-N 122.705 8.861 G36H-N 103.213 8.04 K37H-N 121.518 7.711 L38H-N 117.037 7.765 T39H-N 108.344 7.689 A40H-N 123.949 7.493 S41H-N 112.726 7.87 N42H-N 121.525 8.661 N42HD21-ND2 112.846 7.673 N42HD22-ND2 112.846 7.006 S43H-N 115.086 8.202 E44H-N 124.595 9.117 N45H-N 117.073 8.585 N45HD21-ND2 113.213 7.847 N45HD22-ND2 113.213 7.026 S46H-N 116.599 7.935 Y47H-N 122.422 7.911 I48H-N 118.295 7.925 E49H-N 119.327 7.627 V50H-N 118.719 7.828 I51H-N 119.666 8.411 S52H-N 116.599 8.241 L53H-N 119.609 8.551 L54H-N 118.917 9.085 S55H-N 114.775 8.676 R56H-N 121.489 8.769 G57H-N 109.503 8.597 I58H-N 120.585 8.784 S59H-N 112.992 7.677 S60H-N 115.27 8.293 Y61H-N 123.708 8.247 S64H-N 111.892 7.811 H65H-N 119.737 7.515 K66H-N 117.221 8.419 I69H-N 124.816 8.225 S71H-N 123.299 9.354 S72H-N 116.994 8.792 M73H-N 118.097 7.231 T75H-N 117.069 8.599 I76H-N 120.754 6.872 Y77H-N 119.929 8.19 T78H-N 113.842 9.153 Q79H-N 123.369 7.89 Q79HE21-NE2 114.577 7.741 Q79HE22-NE2 114.577 6.701 I80H-N 119.949 7.919 Q81H-N 116.118 7.871 Q81HE21-NE2 110.985 6.133 Q81HE22-NE2 110.985 6.17 K82H-N 121.404 8.169 D83H-N 121.051 8.329 I84H-N 122.026 8.393 K85H-N 121.687 8.046 N86H-N 113.899 8.342 N86HD21-ND2 109.694 7.499 N86HD22-ND2 109.694 6.889 G87H-N 107.312 7.673 N88H-N 120.203 8.832 N88HD21-ND2 112.188 7.711 N88HD22-ND2 112.188 7.09 I89H-N 118.676 7.55 D90H-N 126.451 8.669 T91H-N 120.5 8.511 E92H-N 124.302 8.47 K93H-N 120.655 7.821 L94H-N 121.127 8.015 R95H-N 119.284 8.254 K96H-N 117.574 8.273 Y97H-N 121.291 8.014 E98H-N 118.356 8.28 I99H-N 119.821 8.701 A100H-N 124.161 7.868 K101H-N 115.468 7.482 G102H-N 109.15 7.936 L103H-N 119.895 8.021 M104H-N 120.98 8.465 S105H-N 117.991 8.479 V106H-N 123.002 8.336 Y108H-N 120.463 8.147 I109H-N 120.457 7.634 Y110H-N 124.062 8.131 F111H-N 127.468 7.885