Assignment w1 w2 E3H-N 125.4 8.45 S4H-N 123.9 8.76 A5H-N 124.7 8.96 A6H-N 121.2 8.66 A7H-N 123.1 8.01 K8H-N 122.4 8.74 F9H-N 119.9 8.06 E10H-N 119.3 7.92 R11H-N 120.2 8.32 R11HE-NE 83.3 9.68 Q12H-N 111.5 8.43 H13H-N 105.9 7.71 M14H-N 116.5 8.04 D15H-N 123.2 8.8 S16H-N 121.2 8.95 G17H-N 111.0 8.59 N18H-N 118.7 7.98 N18HD21-ND2 113.9 7.8 N18HD22-ND2 113.9 6.78 S19H-N 116.9 8.29 S21H-N 114.9 8.12 S22H-N 118.1 8.41 S23H-N 116.3 8.28 S24H-N 118.5 8.38 N25H-N 119.8 8.48 N25HD21-ND2 113.9 7.66 N25HD22-ND2 113.9 7.18 Y26H-N 120.9 7.76 C27H-N 114.6 7.8 N28H-N 119.7 7.77 N28HD21-ND2 109.5 7.63 N28HD22-ND2 109.5 6.95 L29H-N 119.4 7.43 M30H-N 117.4 8.47 M31H-N 116.3 8.67 C32H-N 115.5 6.59 C33H-N 123.4 9.45 R34H-N 116.2 8.1 R34HE-NE 83.8 7.29 K35H-N 110.4 7.69 M36H-N 116.0 8.2 T37H-N 107.0 7.56 Q38H-N 120.4 7.33 Q38HE21-NE2 111.8 7.39 Q38HE22-NE2 111.8 6.47 G39H-N 117.7 8.35 K40H-N 116.3 7.22 C41H-N 118.8 8.89 K42H-N 129.6 7.9 V44H-N 111.1 6.97 N45H-N 119.9 8.74 N45HD21-ND2 115.1 6.76 N45HD22-ND2 115.1 4.19 T46H-N 120.0 6.94 F47H-N 124.5 9.32 V48H-N 120.8 9.33 H49H-N 124.6 8.77 E50H-N 116.4 6.56 S51H-N 116.8 9.59 L52H-N 123.4 8.78 A53H-N 119.8 8.46 D54H-N 119.6 7.83 V55H-N 121.1 7.88 K56H-N 119.3 9.0 A57H-N 119.5 7.53 V58H-N 120.3 7.58 C59H-N 112.4 6.81 S60H-N 112.5 7.48 Q61H-N 123.7 7.7 K62H-N 121.7 7.54 K63H-N 129.2 8.41 V64H-N 121.0 8.32 T65H-N 116.2 7.96 C66H-N 124.1 8.79 K67H-N 127.4 10.96 D68H-N 116.3 8.02 G69H-N 108.2 8.03 Q70H-N 119.4 8.12 T71H-N 111.9 8.55 N72H-N 118.9 8.22 N72HD21-ND2 111.4 7.4 N72HD22-ND2 111.4 6.68 C73H-N 117.4 7.48 Y74H-N 119.2 8.98 Q75H-N 122.5 9.48 Q75HE21-NE2 108.6 6.49 Q75HE22-NE2 108.6 6.41 S76H-N 122.1 9.29 K77H-N 126.6 8.94 S78H-N 113.6 8.59 T79H-N 113.2 8.13 M80H-N 120.6 8.51 R81H-N 122.1 9.51 R81HE-NE 85.3 7.34 I82H-N 119.9 8.64 T83H-N 118.5 9.26 D84H-N 127.2 9.24 C85H-N 121.5 8.81 R86H-N 121.5 8.2 R86HE-NE 85.4 7.79 E87H-N 128.0 8.76 T88H-N 115.0 8.12 G89H-N 107.1 8.77 S90H-N 112.3 7.6 S91H-N 117.6 6.99 K92H-N 129.1 7.53 Y93H-N 131.2 9.29 N95H-N 130.3 8.82 N95HD21-ND2 114.0 7.68 N95HD22-ND2 114.0 6.92 C96H-N 121.7 7.69 A97H-N 128.7 8.63 Y98H-N 117.7 9.37 K99H-N 124.9 9.43 T100H-N 126.0 9.05 T101H-N 123.8 8.86 Q102H-N 127.9 8.82 V103H-N 120.8 8.64 E104H-N 121.4 8.07 K105H-N 121.6 8.34 H106H-N 118.7 9.2 I107H-N 113.5 8.45 I108H-N 121.7 8.31 V109H-N 117.5 8.91 A110H-N 122.0 8.71 C111H-N 119.7 8.8 G112H-N 110.5 9.11 G113H-N 106.9 8.21 K114H-N 117.9 7.77 S116H-N 115.5 8.2 V117H-N 119.9 8.51 V119H-N 111.3 8.93 H120H-N 120.6 7.62 D122H-N 130.7 8.64 A123H-N 116.3 7.42 S124H-N 111.9 8.09 V125H-N 123.8 8.68