Assignment w1 w2 F3H-N 120.02 7.98 D4H-N 121.73 8.14 Y5H-N 118.42 7.65 V6H-N 122.45 8.53 I7H-N 123.78 7.84 C8H-N 128.79 8.77 E9H-N 131.98 9.43 E10H-N 121.79 9.18 C11H-N 117.99 8.33 G12H-N 113.38 8.04 K13H-N 122.59 8.54 E14H-N 122.03 8.49 F15H-N 121.58 9.49 M16H-N 118.85 8.73 D17H-N 117.53 7.94 S18H-N 116.38 8.15 Y19H-N 126.54 10.47 L20H-N 119.08 9.15 M21H-N 124.35 8.27 N22H-N 118.46 8.56 N22HD21-ND2 112.65 7.04 H23H-N 111.72 7.63 F24H-N 112.38 7.13 D25H-N 117.05 7.85 L26H-N 124.21 7.7 T28H-N 123.91 8.76 C29H-N 135.89 9.74 D30H-N 117.47 8.93 N31H-N 121.18 8.5 N31HD21-ND2 115.19 7.0 N31HD22-ND2 115.19 7.77 C32H-N 122.09 7.68 R33H-N 121.12 6.79 A35H-N 126.57 8.81 D36H-N 113.66 7.72 D37H-N 117.91 7.11 K38H-N 122.98 8.1 H39H-N 114.18 8.52 K40H-N 118.23 6.71 L41H-N 123.68 8.28 I42H-N 118.63 9.44 T43H-N 115.71 8.77 K44H-N 122.2 8.76 T45H-N 112.62 7.84 E46H-N 123.54 7.88 A47H-N 121.63 8.74 K48H-N 115.12 8.17 Q49H-N 117.14 7.92 Q49HE21-NE2 113.02 7.48 Q49HE22-NE2 113.02 6.82 E50H-N 116.13 8.71 Y51H-N 113.78 7.19 L52H-N 116.03 6.98 L53H-N 117.84 7.41 K54H-N 121.91 9.43 D57H-N 123.69 7.34 L58H-N 116.79 7.24 E59H-N 114.66 7.99 K60H-N 117.24 7.91 R61H-N 120.67 6.9 E62H-N 123.08 8.18 L65H-N 122.95 8.11 K66H-N 125.77 9.62 F67H-N 112.32 6.96 I68H-N 118.35 9.13 V69H-N 123.59 8.44 K70H-N 128.95 8.85 K71H-N 125.41 8.47 N72H-N 123.37 8.76 N72HD21-ND2 114.0 7.01 N72HD22-ND2 114.0 7.67 W78H-N 120.62 7.92 W78HE1-NE1 129.62 10.04 G79H-N 109.22 8.14 D80H-N 121.21 8.17 M81H-N 121.18 8.5 K82H-N 124.18 8.15 L83H-N 123.27 9.21 Y84H-N 120.34 9.24 L85H-N 123.65 9.32 K86H-N 132.27 8.76 L87H-N 117.85 9.22 Q88H-N 117.13 7.12 Q88HE21-NE2 112.35 6.76 Q88HE22-NE2 112.35 7.49 I89H-N 124.38 7.66 V90H-N 121.32 8.54 K91H-N 119.28 7.16 R92H-N 120.02 7.98 S93H-N 116.65 8.91 L94H-N 122.68 7.81 E95H-N 121.69 7.87 V96H-N 119.06 7.89 W97H-N 118.07 8.58 W97HE1-NE1 128.53 9.78 G98H-N 112.13 8.07 S99H-N 110.64 7.5 Q100H-N 123.24 9.2 Q100HE21-NE2 112.5 6.69 Q100HE22-NE2 112.5 7.74 E101H-N 119.56 8.98 A102H-N 123.42 8.03 L103H-N 122.36 7.28 E104H-N 118.23 8.24 E105H-N 120.53 8.03 A106H-N 122.83 7.47 K107H-N 118.89 7.92 E108H-N 120.5 7.68 V109H-N 119.34 7.81 R110H-N 121.34 7.78 Q111H-N 120.61 8.03 Q111HE21-NE2 112.83 6.8 Q111HE22-NE2 112.83 7.52 E112H-N 121.45 8.36 N113H-N 119.17 8.29 N113HD21-ND2 113.37 6.92 N113HD22-ND2 113.37 7.58 R114H-N 121.73 8.14 E115H-N 120.7 8.25 K116H-N 120.91 8.02 M117H-N 119.8 7.98 K118H-N 121.94 7.97 Q119H-N 121.09 8.1 Q119HE21-NE2 112.68 6.74 Q119HE22-NE2 112.68 7.25 K120H-N 123.42 8.16 K121H-N 123.74 8.17 F122H-N 126.55 7.69