Assignment w1 w2 C2H-N 118.15 8.0 Y3H-N 118.77 8.69 F4H-N 117.52 8.48 I5H-N 122.58 9.2 N7H-N 120.08 8.11 N7HD21-ND2 113.44 7.48 N7HD22-ND2 113.44 7.19 Q8H-N 123.77 8.58 Q8HE21-NE2 112.9 7.4 Q8HE22-NE2 112.9 6.91 S9H-N 113.77 7.77 L10H-N 125.02 8.58 K11H-N 121.27 8.11 N13H-N 113.77 8.6 N13HD21-ND2 112.81 7.48 N13HD22-ND2 112.81 6.81 E14H-N 116.27 7.58 C15H-N 115.65 9.19 Q16H-N 122.52 8.35 Q16HE21-NE2 111.18 7.46 Q16HE22-NE2 111.18 6.69 D17H-N 123.77 8.32 L18H-N 116.27 8.23 K19H-N 118.15 8.22 G20H-N 107.52 7.92 V21H-N 124.4 8.02 S22H-N 122.52 8.19 H23H-N 120.65 8.56 L25H-N 124.4 7.9 N26H-N 118.15 8.76 N26HD21-ND2 112.98 7.57 N26HD22-ND2 112.98 6.87 S27H-N 115.02 8.05 V28H-N 119.4 8.2 W29H-N 126.9 8.93 W29HE1-NE1 128.44 10.05 K30H-N 119.4 8.5 T31H-N 113.15 8.46 D33H-N 118.15 7.9 C34H-N 111.27 8.15 E35H-N 116.27 7.18 E36H-N 122.52 8.6 C37H-N 126.27 8.93 T38H-N 112.52 8.53 C39H-N 123.15 8.24 G40H-N 118.77 8.12 Q41H-N 116.9 8.45 Q41HE21-NE2 111.9 7.48 Q41HE22-NE2 111.9 6.87 D42H-N 112.52 8.62 A43H-N 120.02 7.45 I44H-N 121.9 8.85 S45H-N 120.65 8.35 C46H-N 123.77 8.47 C47H-N 117.52 8.6 N48H-N 121.9 8.54 N48HD21-ND2 112.6 7.53 N48HD22-ND2 112.6 6.84 T49H-N 115.02 8.35 A50H-N 126.27 8.0 A51H-N 125.65 8.37 I52H-N 124.4 8.88 T54H-N 112.52 8.22 G55H-N 109.4 8.11 Y56H-N 115.02 6.91 D57H-N 120.02 8.18 T58H-N 118.77 8.05 N59H-N 118.77 8.48 N59HD21-ND2 115.01 7.85 N59HD22-ND2 115.01 6.94 K60H-N 118.15 7.6 C61H-N 116.9 8.27 Q62H-N 116.9 9.42 Q62HE21-NE2 110.89 6.99 Q62HE22-NE2 110.89 6.86 K63H-N 120.65 8.35 I64H-N 123.15 9.11 L65H-N 130.65 8.86 N66H-N 126.9 8.74 N66HD21-ND2 113.67 7.94 N66HD22-ND2 113.67 6.77 K67H-N 125.02 8.82 K68H-N 118.15 8.33 T69H-N 104.4 7.06 C70H-N 119.4 8.2 T71H-N 107.52 7.36 Y72H-N 122.52 9.48 T73H-N 113.77 8.72 V74H-N 123.77 8.42 V75H-N 119.4 8.43 E76H-N 121.27 8.34 K77H-N 121.9 8.62 K78H-N 113.77 8.17 D79H-N 113.77 6.65 G81H-N 105.02 8.09 K82H-N 123.15 8.17 T83H-N 115.02 8.1 C84H-N 119.4 8.02 D85H-N 121.27 8.36 V86H-N 118.77 8.05 T87H-N 115.65 8.14 G88H-N 110.02 7.49 W89H-N 118.15 7.99 W89HE1-NE1 129.86 10.09 V90H-N 123.77 9.24 L91H-N 131.9 7.94