Assignment w1 w2 R3H-N 125.5 8.57 M4H-N 122.9 8.43 A5H-N 126.7 8.37 T6H-N 119.5 8.32 K7H-N 125.7 8.71 I8H-N 117.3 8.55 D9H-N 125.8 8.28 K10H-N 126.6 8.22 E11H-N 117.1 8.68 A12H-N 122.6 7.93 C13H-N 115.6 8.42 R14H-N 121.7 8.83 A15H-N 120.4 7.63 A16H-N 121.4 7.24 Y17H-N 118.7 8.15 N18H-N 116.3 8.6 N18HD21-ND2 111.5 7.55 N18HD22-ND2 111.5 6.78 L19H-N 121.2 7.66 V20H-N 117.7 7.16 R21H-N 116.4 7.52 D22H-N 119.4 7.2 D23H-N 126.1 8.53 G24H-N 107.1 8.71 S25H-N 117.0 7.81 A26H-N 124.7 8.59 V27H-N 119.1 7.86 I28H-N 119.8 8.04 W29H-N 115.6 7.65 W29HE1-NE1 126.9 9.37 V30H-N 112.5 8.38 T31H-N 110.4 8.36 F32H-N 121.0 9.76 K33H-N 120.8 9.52 Y34H-N 117.5 8.96 D35H-N 126.5 9.48 G36H-N 113.8 8.75 S37H-N 124.5 8.59 T38H-N 117.3 7.89 I39H-N 128.2 8.91 V40H-N 120.4 9.09 G42H-N 113.0 8.97 E43H-N 125.0 8.43 Q44H-N 117.0 8.15 Q44HE21-NE2 110.2 7.36 Q44HE22-NE2 110.2 6.44 G45H-N 103.7 6.76 A46H-N 120.0 8.24 E47H-N 116.3 8.25 Y48H-N 132.3 10.02 Q49H-N 116.3 9.39 Q49HE21-NE2 113.2 7.53 Q49HE22-NE2 113.2 6.98 H50H-N 116.2 7.18 F51H-N 121.8 7.04 I52H-N 118.2 6.5 Q53H-N 114.0 6.67 Q53HE21-NE2 112.0 7.41 Q53HE22-NE2 112.0 6.77 Q54H-N 114.6 7.2 Q54HE21-NE2 115.6 6.84 Q54HE22-NE2 115.6 7.61 C55H-N 118.6 6.59 T56H-N 111.6 6.85 D57H-N 119.0 9.1 D58H-N 114.1 8.28 V59H-N 115.2 7.34 R60H-N 118.3 7.95 L61H-N 118.9 9.5 F62H-N 117.0 8.81 A63H-N 124.4 10.34 F64H-N 123.8 8.79 V65H-N 125.5 8.29 R66H-N 126.5 8.96 F67H-N 124.4 8.8 T68H-N 119.9 8.92 T69H-N 117.3 8.59 G70H-N 109.6 8.3 D71H-N 120.3 8.02 A72H-N 121.4 8.45 M73H-N 116.1 8.28 S74H-N 115.4 8.09 K75H-N 123.4 8.1 R76H-N 122.5 8.59 S77H-N 118.2 8.69 K78H-N 122.1 8.68 F79H-N 118.7 8.64 A80H-N 123.5 9.38 L81H-N 122.4 7.83 I82H-N 128.3 9.88 T83H-N 126.1 9.09 W84H-N 128.9 9.3 W84HE1-NE1 128.4 10.15 I85H-N 124.6 7.41 G86H-N 114.0 7.96 E87H-N 121.1 9.44 N88H-N 114.0 8.7 N88HD21-ND2 113.8 7.72 N88HD22-ND2 113.8 6.98 V89H-N 122.8 7.46 S90H-N 123.9 8.78 G91H-N 109.8 8.95 L92H-N 123.6 8.36 Q93H-N 117.6 7.62 Q93HE21-NE2 111.6 7.28 Q93HE22-NE2 111.6 6.78 R94H-N 123.4 8.79 A95H-N 122.5 7.99 K96H-N 118.4 7.95 T97H-N 115.0 7.84 G98H-N 105.9 7.71 T99H-N 116.1 7.7 D100H-N 124.4 8.76 K101H-N 119.3 7.92 T102H-N 114.0 7.57 L103H-N 121.0 7.3 V104H-N 117.8 6.66 K105H-N 119.0 7.86 E106H-N 117.1 7.22 V107H-N 115.1 6.97 V108H-N 119.1 8.053 Q109H-N 119.4 6.21 Q109HE21-NE2 113.2 7.39 Q109HE22-NE2 113.2 6.79 N110H-N 116.3 7.95 N110HD21-ND2 113.2 7.71 N110HD22-ND2 113.2 6.97 F111H-N 116.2 7.35 K113H-N 114.9 7.57 E114H-N 122.4 8.29 F115H-N 118.9 8.97 V116H-N 127.3 9.2 I117H-N 129.1 9.34 S118H-N 117.9 8.89 D119H-N 123.3 7.47 R120H-N 126.6 9.47 K121H-N 121.4 8.96 E122H-N 117.0 7.65 L123H-N 111.5 7.09 E124H-N 117.1 6.9 E125H-N 126.1 9.06 D126H-N 115.2 8.8 F127H-N 122.1 7.46 I128H-N 120.5 7.86 K129H-N 117.6 8.48 S130H-N 114.5 7.59 E131H-N 121.6 7.72 L132H-N 119.7 8.47 K133H-N 118.9 7.68 K134H-N 118.2 7.39 A135H-N 122.7 7.73 G136H-N 107.6 8.2 G137H-N 108.8 8.23 A138H-N 123.7 8.3 N139H-N 117.2 8.37 N139HD21-ND2 113.9 7.61 N139HD22-ND2 113.9 6.92 Y140H-N 120.8 8.09 D141H-N 121.8 8.23 A142H-N 123.9 8.06 Q143H-N 119.2 8.37 Q143HE21-NE2 113.5 7.59 Q143HE22-NE2 113.5 6.92 T144H-N 115.2 8.17 E145H-N 128.1 8.03