Assignment w1 w2 T2H-N 116.97 8.23 C3H-N 122.55 8.45 A4H-N 126.53 8.91 E5H-N 121.51 8.92 S6H-N 108.68 7.53 D7H-N 122.77 7.46 F8H-N 121.95 9.39 V9H-N 127.9 7.09 C10H-N 126.59 7.92 N11H-N 125.17 9.2 N11HD21-ND2 111.7 7.02 N11HD22-ND2 111.7 7.76 N12H-N 115.3 8.0 N12HD21-ND2 109.31 6.8 N12HD22-ND2 109.31 7.76 G13H-N 108.98 8.2 Q14H-N 120.65 7.16 Q14HE21-NE2 112.1 7.75 Q14HE22-NE2 112.1 7.11 C15H-N 123.06 8.52 V16H-N 118.81 8.98 S18H-N 119.96 8.87 R19H-N 119.17 8.03 W20H-N 118.49 7.9 W20HE1-NE1 126.44 9.94 K21H-N 125.58 7.94 C22H-N 123.82 8.8 D23H-N 121.7 9.73 G24H-N 111.23 9.31 D25H-N 119.11 7.3 D27H-N 105.32 10.42 C28H-N 119.34 8.43 E29H-N 128.88 9.67 G31H-N 107.12 8.09 S32H-N 117.21 9.0 D33H-N 116.88 9.6 E34H-N 114.98 7.42 S35H-N 116.93 7.04 E37H-N 115.8 8.58 Q38H-N 115.07 7.39 Q38HE21-NE2 112.14 7.72 Q38HE22-NE2 112.14 6.96 C39H-N 115.49 7.84 H40H-N 119.62 8.28 M41H-N 120.17 8.17 R42H-N 122.31 8.25 T43H-N 115.83 8.1 C44H-N 122.36 8.19 R45H-N 121.02 8.57 I46H-N 118.46 7.98 H47H-N 117.81 8.24 E48H-N 118.97 7.75 I49H-N 115.36 9.18 S50H-N 116.18 8.21 C51H-N 121.98 8.06 G52H-N 107.75 8.13 A53H-N 122.37 8.59 H54H-N 114.56 8.6 S55H-N 113.96 7.48 T56H-N 115.75 8.61 Q57H-N 123.16 8.38 Q57HE21-NE2 111.11 7.44 Q57HE22-NE2 111.11 6.84 C58H-N 124.6 8.47 I59H-N 116.02 8.93 V61H-N 122.19 8.11 S62H-N 114.11 7.92 W63H-N 120.58 8.02 W63HE1-NE1 126.57 9.81 R64H-N 126.45 7.97 C65H-N 124.06 8.9 D66H-N 121.18 9.76 G67H-N 111.09 9.37 E68H-N 118.36 7.42 N69H-N 128.03 9.34 N69HD21-ND2 110.15 7.26 N69HD22-ND2 110.15 6.65 D70H-N 128.41 10.13 C71H-N 118.18 8.29 D72H-N 127.5 9.44 S73H-N 112.54 8.55 G74H-N 107.98 7.86 E75H-N 121.39 9.16 D76H-N 112.27 9.5 E77H-N 117.28 7.49 E78H-N 120.38 7.06 N79H-N 118.12 9.01 N79HD21-ND2 114.31 7.61 N79HD22-ND2 114.31 6.92 C80H-N 116.88 8.29 G81H-N 109.79 8.5 N82H-N 118.51 8.21 N82HD21-ND2 112.91 6.83 N82HD22-ND2 112.91 7.48 I83H-N 121.33 8.03 T84H-N 118.91 8.12 C85H-N 122.49 8.27 S86H-N 121.39 9.15 D88H-N 114.08 7.93 E89H-N 120.79 7.97 F90H-N 122.77 9.43 T91H-N 123.18 7.28 C92H-N 126.11 8.9 S93H-N 121.91 8.96 S94H-N 113.13 7.92 G95H-N 111.07 8.03 R96H-N 119.56 7.03 C97H-N 122.56 8.4 I98H-N 116.61 8.92 S99H-N 115.32 8.46 R100H-N 125.72 8.57 N101H-N 116.94 8.24 N101HD21-ND2 112.54 6.65 N101HD22-ND2 112.54 7.25 F102H-N 115.53 7.68 V103H-N 128.61 7.64 C104H-N 124.83 8.65 N105H-N 119.5 9.82 N105HD21-ND2 118.32 8.48 N105HD22-ND2 118.32 7.74 G106H-N 110.91 9.31 Q107H-N 115.58 7.04 Q107HE21-NE2 112.44 6.63 Q107HE22-NE2 112.44 7.54 D108H-N 129.0 9.29 D109H-N 128.19 9.99 C110H-N 118.83 8.41 D112H-N 117.43 7.39 G113H-N 109.01 8.71 S114H-N 116.62 8.86 D115H-N 115.75 9.85 E116H-N 117.2 7.55 L117H-N 120.84 6.89 D118H-N 119.71 8.54 C119H-N 117.29 7.9 A120H-N 126.42 8.33