Assignment w1 w2 L10H-N 125.057 8.313 A11H-N 124.603 8.272 S12H-N 114.846 8.2 I13H-N 122.115 8.059 G14H-N 112.601 8.447 K15H-N 120.622 8.105 D16H-N 121.127 8.411 I17H-N 120.709 7.999 I18H-N 125.581 8.225 E19H-N 125.713 8.493 D20H-N 121.989 8.366 A21H-N 124.821 8.309 D22H-N 118.66 8.302 G23H-N 108.74 8.119 I24H-N 120.097 7.914 A25H-N 128.312 8.314 M26H-N 121.696 8.386 H28H-N 117.546 7.835 Q29H-N 125.48 8.243 Q29HE21-NE2 112.086 6.832 Q29HE22-NE2 112.086 6.907 W30H-N 123.666 7.891 W30HE1-NE1 128.889 10.226 L31H-N 125.672 9.873 E32H-N 126.49 8.593 G33H-N 112.023 8.395 N34H-N 113.341 8.37 N34HD21-ND2 113.767 6.856 N34HD22-ND2 113.767 7.584 L35H-N 121.545 8.26 V37H-N 119.207 8.243 S38H-N 114.25 8.05 A39H-N 124.582 7.602 K40H-N 119.947 8.029 C41H-N 124.401 8.327 T42H-N 128.054 9.995 V43H-N 121.966 8.89 C44H-N 117.244 8.097 D45H-N 121.133 8.321 K46H-N 117.367 8.032 T47H-N 115.92 8.519 C48H-N 123.734 8.395 G49H-N 109.518 9.712 S50H-N 113.236 8.204 V51H-N 121.184 8.41 L52H-N 122.253 8.33 R53H-N 115.482 7.789 L54H-N 121.598 8.092 Q55H-N 121.791 7.795 Q55HE21-NE2 112.767 6.775 Q55HE22-NE2 112.767 7.517 D56H-N 119.528 8.252 W57H-N 114.704 8.134 W57HE1-NE1 131.525 10.157 R58H-N 118.081 9.504 C59H-N 126.589 8.913 L60H-N 130.603 8.706 W61H-N 119.462 8.757 W61HE1-NE1 128.889 10.207 C62H-N 118.686 8.184 K63H-N 115.102 7.598 A64H-N 124.651 8.551 M65H-N 120.096 8.185 V66H-N 113.399 8.987 H67H-N 119.664 7.702 T68H-N 121.82 9.458 C70H-N 120.04 7.195 K71H-N 121.113 7.187 E72H-N 114.701 8.213 S73H-N 113.324 7.709 L74H-N 122.433 7.155 L75H-N 128.394 8.901 T76H-N 111.091 7.293 K77H-N 123.155 8.486 C78H-N 125.049 8.375 S79H-N 121.308 8.114 G80H-N 112.079 8.664 S82H-N 116.745 8.193