Assignment w1 w2 E3H-N 120.71 8.629 E4H-N 121.64 8.337 T5H-N 115.62 8.259 T6H-N 116.85 8.186 A7H-N 128.44 8.24 I9H-N 123.85 8.742 M10H-N 124.78 8.062 T11H-N 115.66 9.393 Q12H-N 118.81 8.462 Q12HE21-NE2 112.353 6.946 Q12HE22-NE2 112.353 7.332 G13H-N 109.7 7.417 S14H-N 119.08 8.593 Y16H-N 127.97 9.201 N17H-N 120.08 9.004 N17HD21-ND2 114.526 7.398 N17HD22-ND2 114.526 8.193 D18H-N 117.38 7.93 S19H-N 114.65 7.773 L20H-N 121.39 7.324 S21H-N 119.14 8.961 T22H-N 110.85 7.95 N23H-N 112.95 8.374 N23HD21-ND2 110.203 6.421 N23HD22-ND2 110.203 7.977 D24H-N 116.71 7.505 F25H-N 108.38 8.256 K26H-N 121.3 8.832 S27H-N 117.79 8.209 I28H-N 114.68 8.598 L29H-N 122.07 7.415 L30H-N 112.4 7.982 G31H-N 107.14 7.734 S32H-N 116.49 9.416 T33H-N 128.17 9.33 L35H-N 114.57 6.989 D36H-N 123.47 8.132 I37H-N 111.24 8.047 A38H-N 127.38 7.166 D40H-N 117.1 8.196 G41H-N 115.09 8.498 A42H-N 122.36 7.651 V43H-N 121.66 8.171 F44H-N 123.783 9.532 Q45H-N 123.097 9.793 Q45HE21-NE2 112.225 6.956 Q45HE22-NE2 112.225 7.374 L46H-N 127.88 9.034 D47H-N 117.65 8.498 R48H-N 120.65 7.497 L50H-N 122.7 8.613 S51H-N 122.84 8.167 I52H-N 126.66 9.065 D53H-N 129.28 7.754 Y54H-N 118.82 9.218 S55H-N 113.06 8.502 L56H-N 126.27 8.517 T58H-N 108.87 7.478 G59H-N 111.13 8.297 D60H-N 119.74 7.58 V61H-N 120.46 8.418 D62H-N 126.75 8.407 R63H-N 118.89 8.961 A64H-N 130.34 9.157 V65H-N 117.95 7.809 Y66H-N 122.59 8.758 W67H-N 118.59 9.809 W67HE1-NE1 129.36 10.089 H68H-N 114.65 7.646 L69H-N 117.95 9.051 K70H-N 122.29 9.014 K71H-N 128.69 9.377 F72H-N 130.18 9.429 A73H-N 124.92 8.985 G74H-N 104.76 8.459 N75H-N 116.38 7.149 N75HD21-ND2 111.917 7.022 N75HD22-ND2 111.917 7.893 A76H-N 118.84 8.306 G77H-N 102.99 8.01 T78H-N 116.42 7.449 A80H-N 117.6 7.805 G81H-N 101.625 7.075 W82H-N 118.26 8.67 W82HE1-NE1 129.86 10.141 F83H-N 115.53 8.759 R84H-N 114.98 8.667 W85H-N 118.12 6.407 W85HE1-NE1 133.32 11.462 G86H-N 106.8 8.257 I87H-N 120.82 8.425 W88H-N 129.16 7.295 W88HE1-NE1 128.735 10.139 D89H-N 128.55 8.187 N90H-N 121.93 8.57 N90HD21-ND2 114.794 7.06 N90HD22-ND2 114.794 7.619 F91H-N 119.0 8.397 N92H-N 115.42 7.777 N92HD21-ND2 115.795 6.978 N92HD22-ND2 115.795 8.295 K93H-N 116.74 7.543 T94H-N 107.595 6.589 F95H-N 125.37 9.042 T96H-N 126.16 8.307 D97H-N 129.14 8.759 G98H-N 107.06 8.401 V99H-N 113.14 7.988 A100H-N 122.32 8.041 Y101H-N 123.924 9.835 Y102H-N 132.88 8.332 S103H-N 118.84 7.521 D104H-N 126.81 8.554 E105H-N 117.29 8.504 Q106H-N 121.05 8.655 Q106HE21-NE2 111.454 6.996 Q106HE22-NE2 111.454 7.347 R108H-N 124.06 8.566 Q109H-N 124.03 8.639 I110H-N 123.85 8.71 L111H-N 127.18 9.108 L112H-N 117.08 6.93 V114H-N 120.89 7.983 G115H-N 115.18 8.01 T116H-N 121.28 7.804 V117H-N 130.54 9.045 C118H-N 125.73 8.801 T119H-N 120.02 9.439 R120H-N 131.15 9.44 V121H-N 117.02 8.572 D122H-N 119.85 8.408 S123H-N 113.08 7.705 E124H-N 122.61 8.386 N125H-N 124.35 8.082 N125HD21-ND2 113.185 6.833 N125HD22-ND2 113.185 7.541