Assignment w1 w2 S2H-N 117.6 8.86 L3H-N 124.6 9.23 Y4H-N 116.4 8.32 E5H-N 118.9 7.96 K6H-N 122.1 8.59 L7H-N 116.8 8.25 G8H-N 101.0 7.31 G9H-N 110.3 8.18 A10H-N 125.7 8.55 A11H-N 118.5 8.85 A12H-N 120.3 6.78 V13H-N 118.5 8.0 D14H-N 119.2 8.33 L15H-N 117.6 7.41 A16H-N 119.4 8.65 V17H-N 117.0 8.74 E18H-N 119.2 8.19 K19H-N 120.2 8.53 F20H-N 123.5 9.33 Y21H-N 116.4 8.68 G22H-N 107.9 7.88 K23H-N 121.2 7.54 V24H-N 120.9 8.52 L25H-N 114.6 8.3 A26H-N 121.0 7.11 D27H-N 121.0 7.42 E28H-N 127.8 9.12 R29H-N 117.8 8.77 V30H-N 102.2 7.28 N31H-N 122.7 8.89 N31HD21-ND2 106.0 6.72 N31HD22-ND2 106.0 6.81 R32H-N 121.5 8.52 F33H-N 116.3 7.59 F34H-N 114.1 7.47 V35H-N 118.3 6.95 N36H-N 117.4 8.49 N36HD21-ND2 114.1 6.88 N36HD22-ND2 114.1 7.67 T37H-N 119.8 7.52 D38H-N 125.7 8.59 M39H-N 127.5 8.77 A40H-N 124.0 8.14 K41H-N 119.9 7.25 Q42H-N 119.3 8.28 Q42HE21-NE2 102.0 -3.41 Q42HE22-NE2 102.0 5.97 K43H-N 117.2 8.39 Q44H-N 118.4 7.01 Q44HE21-NE2 117.5 7.07 Q44HE22-NE2 117.5 7.74 H45H-N 117.4 8.33 Q46H-N 120.1 8.71 Q46HE22-NE2 99.0 9.71 K47H-N 121.0 8.48 D48H-N 122.7 8.62 F49H-N 124.3 8.92 M50H-N 118.9 9.17 T51H-N 114.8 7.87 Y52H-N 122.0 7.05 A53H-N 125.0 8.98 F54H-N 112.2 7.99 G55H-N 107.8 7.94 G56H-N 108.5 8.86 T57H-N 111.3 7.14 D58H-N 119.6 8.31 R59H-N 118.5 7.57 F60H-N 124.1 8.33 G62H-N 104.9 5.28 R63H-N 120.6 7.9 S64H-N 113.2 8.18 M65H-N 119.6 9.32 R66H-N 121.0 8.79 A67H-N 122.1 8.04 A68H-N 117.4 9.29 H69H-N 110.9 8.47 Q70H-N 124.8 8.26 Q70HE21-NE2 111.7 6.82 Q70HE22-NE2 111.7 7.86 D71H-N 119.0 9.29 L72H-N 117.9 7.99 V73H-N 121.3 8.31 E74H-N 117.3 8.54 N75H-N 111.7 8.55 N75HD21-ND2 116.6 7.21 N75HD22-ND2 116.6 7.95 A76H-N 121.7 7.7 G77H-N 107.3 8.01 L78H-N 120.7 7.32 T79H-N 126.4 11.1 D80H-N 121.5 8.73 V81H-N 114.4 7.83 H82H-N 121.2 6.6 F83H-N 119.8 6.95 D84H-N 118.2 8.64 A85H-N 122.2 7.4 I86H-N 120.8 7.25 A87H-N 122.4 7.59 E88H-N 118.4 8.21 N89H-N 116.1 8.04 N89HD21-ND2 111.8 8.85 N89HD22-ND2 111.8 5.63 L90H-N 125.5 8.38 V91H-N 121.6 8.23 L92H-N 118.0 8.61 T93H-N 116.0 7.76 L94H-N 119.2 8.0 Q95H-N 119.0 8.7 Q95HE21-NE2 110.1 6.62 Q95HE22-NE2 110.1 7.4 E96H-N 122.2 8.26 L97H-N 118.6 7.48 N98H-N 115.0 8.12 N98HD21-ND2 112.6 6.78 N98HD22-ND2 112.6 7.5 V99H-N 120.5 7.69 S100H-N 121.8 8.41 Q101H-N 124.8 8.92 Q101HE21-NE2 115.2 6.49 Q101HE22-NE2 115.2 7.89 D102H-N 115.5 8.54 L103H-N 120.2 7.28 I104H-N 121.0 7.91 D105H-N 118.5 8.68 E106H-N 121.3 7.38 V107H-N 120.7 8.25 V108H-N 120.2 8.83 T109H-N 117.2 8.0 I110H-N 119.9 7.37 V111H-N 114.8 8.79 G112H-N 104.5 8.26 S113H-N 116.0 7.04 V114H-N 122.0 8.67 Q115H-N 118.1 8.12 Q115HE21-NE2 114.7 6.95 Q115HE22-NE2 114.7 7.81 H116H-N 118.7 7.85 R117H-N 120.5 8.39 N118H-N 115.4 8.31 N118HD21-ND2 110.6 6.64 N118HD22-ND2 110.6 7.37 D119H-N 119.7 8.03 V120H-N 120.4 8.67 L121H-N 109.7 7.7 N122H-N 118.8 8.26 N122HD21-ND2 110.3 7.43 N122HD22-ND2 110.3 7.77 R123H-N 124.2 9.19