Assignment w1 w2 S2H-N 115.9 8.27 I3H-N 121.7 8.15 S4H-N 120.4 8.58 T5H-N 114.0 8.11 S6H-N 118.6 8.78 A7H-N 121.5 7.95 E8H-N 114.5 7.51 V9H-N 121.6 7.83 Y10H-N 117.8 8.18 Y11H-N 120.0 8.11 E12H-N 117.6 8.31 E13H-N 119.8 8.27 A14H-N 123.3 8.21 E15H-N 116.7 7.94 E16H-N 120.7 7.68 F17H-N 119.5 8.03 L18H-N 122.2 9.12 S19H-N 115.9 8.18 K20H-N 118.7 7.41 G21H-N 107.9 8.02 D22H-N 121.8 8.2 L23H-N 121.7 7.89 V24H-N 119.7 8.25 Q25H-N 116.2 7.42 Q25HE21-NE2 113.7 7.67 Q25HE22-NE2 113.7 6.72 A26H-N 119.8 7.98 C27H-N 114.1 8.35 E28H-N 116.6 7.17 K29H-N 118.9 7.81 Y30H-N 120.5 9.08 Y31H-N 118.8 8.23 K32H-N 118.9 8.11 A33H-N 121.2 8.37 A34H-N 119.3 7.97 E35H-N 119.1 8.92 E36H-N 115.9 8.37 A37H-N 123.7 8.44 I38H-N 117.3 8.21 K39H-N 118.7 7.84 L40H-N 118.0 7.89 L41H-N 119.5 8.13 V42H-N 121.9 8.73 I43H-N 120.1 7.89 E44H-N 119.8 8.88 N45H-N 112.7 7.56 N45HD21-ND2 113.3 7.36 N45HD22-ND2 113.3 7.65 N46H-N 117.7 7.93 N46HD21-ND2 112.0 7.62 N46HD22-ND2 112.0 6.82 L47H-N 118.1 7.8 K48H-N 126.3 8.04 E49H-N 118.1 9.18 I50H-N 116.1 7.57 T51H-N 112.2 7.81 N52H-N 119.8 8.64 N52HD21-ND2 111.5 7.52 N52HD22-ND2 111.5 6.84 N53H-N 117.5 7.56 N53HD21-ND2 113.0 7.58 N53HD22-ND2 113.0 6.95 V54H-N 119.4 7.52 K55H-N 122.2 8.08 N56H-N 117.6 8.1 N56HD21-ND2 112.8 7.63 N56HD22-ND2 112.8 6.92 K57H-N 119.1 8.29 G58H-N 108.4 8.32 R59H-N 119.1 7.86 W60H-N 123.4 8.87 W60HE1-NE1 130.2 10.3 K61H-N 122.0 8.58 S62H-N 120.1 9.31 E63H-N 120.9 9.53 N64H-N 117.4 7.6 N64HD21-ND2 112.1 7.62 N64HD22-ND2 112.1 7.0 L65H-N 121.6 7.68 F66H-N 117.1 8.38 K67H-N 120.8 7.99 A68H-N 120.8 8.29 S69H-N 112.7 7.93 K70H-N 119.7 7.16 L71H-N 121.7 8.15 L72H-N 117.7 8.16 R73H-N 121.8 7.49 S74H-N 110.2 7.39 N75H-N 119.6 7.75 N75HD21-ND2 109.3 7.39 N75HD22-ND2 109.3 6.77 N76H-N 115.6 7.5 N76HD21-ND2 109.9 6.46 N76HD22-ND2 109.9 5.89 T77H-N 119.5 8.76 E78H-N 117.4 8.37 I79H-N 118.4 7.74 I81H-N 118.9 7.14 L82H-N 120.4 8.26 W83H-N 116.6 8.74 W83HE1-NE1 129.3 10.26 K84H-N 117.7 7.51 S85H-N 117.7 7.81 A86H-N 123.6 7.43 W87H-N 118.2 8.48 W87HE1-NE1 129.3 10.27 T88H-N 115.8 8.27 L89H-N 120.7 7.6 H90H-N 117.1 7.46 V91H-N 116.4 7.96 E92H-N 119.5 8.31 G93H-N 106.1 7.62 F94H-N 117.3 7.37 H95H-N 116.4 7.86 E96H-N 118.6 8.26 L97H-N 119.5 8.04 S98H-N 113.7 8.28 L99H-N 122.1 7.54 N100H-N 118.9 8.27 N100HD21-ND2 113.0 7.6 N100HD22-ND2 113.0 6.91 E101H-N 121.8 8.99 K102H-N 118.8 8.16 E103H-N 120.1 7.95 V104H-N 119.2 8.15 K105H-N 116.9 8.33 K106H-N 118.8 7.41 L107H-N 119.5 8.12 K108H-N 117.3 9.0 E109H-N 123.0 7.31 D110H-N 121.1 7.27 V111H-N 119.0 7.04 R112H-N 121.2 8.53 K113H-N 115.4 7.49 L114H-N 120.3 7.54 V115H-N 119.3 8.45 I116H-N 118.4 8.44 F117H-N 119.6 8.13 A118H-N 122.9 8.37 V119H-N 119.4 8.84 N120H-N 118.8 8.75 N120HD21-ND2 111.4 6.87 N120HD22-ND2 111.4 7.54 S121H-N 115.9 7.75 L122H-N 122.2 7.51 E123H-N 117.9 7.91 H124H-N 116.4 8.1 H125H-N 117.4 8.13 H126H-N 118.6 8.42 H127H-N 119.6 8.54 H128H-N 120.3 8.55 H129H-N 125.5 8.39