Assignment w1 w2 N3H-N 119.93 8.45 N3HD21-ND2 112.28 7.42 N3HD22-ND2 112.28 6.95 K4H-N 122.51 8.19 I5H-N 123.22 9.66 I6H-N 129.19 9.16 Y7H-N 129.82 8.45 F8H-N 125.33 9.07 L9H-N 121.94 9.16 C10H-N 122.75 8.55 T11H-N 116.36 8.58 G12H-N 110.51 8.21 N13H-N 116.12 8.55 N13HD21-ND2 106.02 8.08 N13HD22-ND2 106.02 7.49 S14H-N 120.43 9.19 C15H-N 120.1 9.48 R16H-N 127.24 10.8 S17H-N 113.7 9.85 Q18H-N 119.84 6.07 Q18HE21-NE2 107.65 6.87 Q18HE22-NE2 107.65 6.37 M19H-N 119.38 8.39 A20H-N 120.82 8.59 E21H-N 117.76 7.46 G22H-N 104.98 7.87 W23H-N 121.49 8.82 W23HE1-NE1 125.96 9.33 A24H-N 121.94 9.16 K25H-N 116.48 8.03 Q26H-N 117.29 7.32 Q26HE21-NE2 112.38 7.2 Q26HE22-NE2 112.38 6.92 Y27H-N 115.51 8.14 L28H-N 118.48 8.88 G29H-N 107.5 8.24 D30H-N 117.85 8.45 E31H-N 119.92 9.26 W32H-N 120.43 8.01 W32HE1-NE1 129.26 10.25 K33H-N 125.11 9.64 V34H-N 124.5 8.31 Y35H-N 125.27 8.78 S36H-N 116.49 9.49 A37H-N 123.1 9.05 G38H-N 104.23 8.44 I39H-N 120.26 7.48 E40H-N 115.52 7.95 A41H-N 120.44 8.01 H42H-N 120.72 9.12 G43H-N 108.02 7.89 L44H-N 123.34 9.1 N45H-N 126.64 8.18 N45HD21-ND2 116.9 8.74 N45HD22-ND2 116.9 7.89 N47H-N 118.17 8.64 N47HD21-ND2 114.21 7.28 N47HD22-ND2 114.21 6.95 A48H-N 124.43 7.95 V49H-N 118.62 7.65 K50H-N 122.57 8.21 A51H-N 122.21 8.77 M52H-N 116.46 7.97 K53H-N 123.67 8.14 E54H-N 118.78 7.68 V55H-N 108.75 7.23 G56H-N 108.76 7.83 I57H-N 122.1 7.79 D58H-N 128.2 8.91 I59H-N 120.08 8.52 S60H-N 117.36 8.59 N61H-N 118.57 8.33 N61HD21-ND2 114.16 7.52 N61HD22-ND2 114.16 6.86 Q62H-N 122.45 7.63 Q62HE21-NE2 110.83 8.45 Q62HE22-NE2 110.83 6.61 T63H-N 111.21 8.76 S64H-N 118.7 8.76 D65H-N 131.54 10.45 I66H-N 116.88 7.99 I67H-N 123.57 7.63 D68H-N 129.29 8.19 S69H-N 123.5 9.17 D70H-N 121.87 8.46 I71H-N 120.99 7.4 L72H-N 119.15 7.94 N73H-N 109.77 7.74 N73HD21-ND2 112.01 7.59 N73HD22-ND2 112.01 6.82 N74H-N 116.5 7.47 N74HD21-ND2 115.81 7.87 N74HD22-ND2 115.81 6.95 A75H-N 124.47 7.35 D76H-N 120.42 8.79 L77H-N 121.17 7.98 V78H-N 127.09 8.85 V79H-N 128.35 8.45 T80H-N 116.81 8.73 L81H-N 118.79 7.8 C82H-N 111.35 7.82 A85H-N 124.2 8.14 A86H-N 120.34 8.37 D87H-N 117.71 8.0 K88H-N 118.15 7.53 C89H-N 123.38 7.96 M91H-N 121.35 8.43 T92H-N 114.34 8.02 H95H-N 112.12 7.61 V96H-N 123.75 7.19 K97H-N 131.28 8.2 R98H-N 125.06 8.42 E99H-N 124.42 8.65 H100H-N 122.11 8.88 W101H-N 130.58 8.4 W101HE1-NE1 129.9 10.43 G102H-N 105.97 7.71 F103H-N 121.03 7.91 D104H-N 126.31 9.48 D105H-N 117.83 8.84 A107H-N 120.39 8.12 R108H-N 115.75 7.07 A109H-N 123.56 6.79 Q110H-N 120.92 8.42 Q110HE21-NE2 113.89 7.47 Q110HE22-NE2 113.89 6.92 G111H-N 108.36 8.32 T112H-N 112.34 8.96 E113H-N 120.77 9.19 E114H-N 119.59 8.95 E115H-N 123.38 7.96 K116H-N 122.03 8.86 W117H-N 121.34 8.43 W117HE1-NE1 130.35 10.24 A118H-N 120.48 8.05 F119H-N 122.57 7.96 F120H-N 119.63 8.19 Q121H-N 116.19 7.94 Q121HE21-NE2 117.11 8.98 Q121HE22-NE2 117.11 6.72 R122H-N 119.33 8.12 V123H-N 119.88 8.2 R124H-N 119.7 8.24 D125H-N 122.4 9.4 E126H-N 123.82 8.77 I127H-N 122.1 8.29 G128H-N 108.53 7.96 N129H-N 119.11 8.18 N129HD21-ND2 113.37 7.55 N129HD22-ND2 113.37 6.92 R130H-N 121.83 7.68 L131H-N 122.71 8.14 K132H-N 123.71 8.31 E133H-N 118.66 7.51 F134H-N 123.69 8.25 A135H-N 123.59 8.89 E136H-N 115.65 8.04 T137H-N 108.48 8.2 G138H-N 113.44 8.46 K139H-N 125.44 7.81