Assignment w1 w2 A3H-N 126.82 8.57 K4H-N 120.95 8.29 A5H-N 122.21 7.91 T6H-N 120.47 7.02 T7H-N 119.98 8.9 I8H-N 120.95 8.82 K9H-N 119.49 9.16 D10H-N 120.47 7.81 A11H-N 123.71 8.76 I12H-N 119.26 8.92 R13H-N 120.47 7.5 I14H-N 121.44 7.99 F15H-N 122.91 8.45 E16H-N 119.49 8.96 E17H-N 119.0 8.23 R18H-N 119.49 8.45 R18HE-NE 85.19 7.12 K19H-N 115.58 8.09 S20H-N 115.45 7.97 V21H-N 111.67 7.08 V22H-N 122.91 8.09 A23H-N 133.66 11.58 T24H-N 105.81 7.62 E25H-N 118.02 7.47 A26H-N 124.37 7.25 E27H-N 120.31 8.63 K28H-N 122.91 8.15 V29H-N 126.82 8.27 L31H-N 126.82 8.67 H32H-N 117.33 7.52 G33H-N 109.72 8.49 M34H-N 115.99 7.06 I35H-N 120.47 8.05 I38H-N 122.42 8.13 E39H-N 125.35 8.9 K40H-N 120.47 8.3 M41H-N 123.4 8.93 D42H-N 117.05 6.63 A43H-N 116.84 8.27 T44H-N 122.91 9.45 L45H-N 121.44 8.37 S46H-N 111.61 7.53 T47H-N 108.16 7.45 L48H-N 125.35 7.76 K49H-N 120.95 7.84 A50H-N 117.35 7.46 C51H-N 117.89 6.83 K52H-N 129.75 9.54 H53H-N 124.37 8.22 L54H-N 129.26 8.34 A55H-N 130.73 8.53 L56H-N 126.33 9.08 S57H-N 116.38 7.27 T58H-N 114.92 9.01 N59H-N 125.35 7.91 N60H-N 120.47 8.83 N60HD21-ND2 110.64 7.67 N60HD22-ND2 110.64 6.9 I61H-N 121.93 8.95 E62H-N 125.35 7.91 K63H-N 120.47 7.78 I64H-N 126.33 9.01 S65H-N 121.93 7.82 S66H-N 105.81 8.23 L67H-N 120.31 8.45 S68H-N 111.43 7.31 G69H-N 112.65 8.7 M70H-N 120.85 7.7 E71H-N 120.24 7.51 N72H-N 117.05 8.9 L73H-N 121.44 6.88 R74H-N 128.77 9.16 I75H-N 120.95 8.5 L76H-N 127.1 7.76 S77H-N 120.95 8.55 L78H-N 129.75 9.77 G79H-N 113.99 8.61 R80H-N 118.51 8.86 N81H-N 121.93 7.14 N81HD21-ND2 115.09 8.26 N81HD22-ND2 115.09 7.13 L82H-N 121.93 8.43 I83H-N 122.91 8.69 K84H-N 122.91 8.09 K85H-N 119.49 7.63 I86H-N 126.33 9.45 E87H-N 121.7 6.75 N88H-N 109.23 8.75 L89H-N 115.92 8.3 D90H-N 119.0 8.43 A91H-N 118.4 7.88 V92H-N 106.19 7.31 A93H-N 124.86 7.37 D94H-N 113.62 8.71 T95H-N 105.59 7.34 L96H-N 124.86 8.05 E97H-N 125.35 9.08 E98H-N 119.0 8.45 L99H-N 123.89 8.26 W100H-N 130.24 8.92 W100HE1-NE1 130.74 10.59 I101H-N 125.84 10.02 S102H-N 123.4 8.73 Y103H-N 116.07 8.58 N104H-N 118.51 6.66 N104HD21-ND2 116.56 7.57 N104HD22-ND2 116.56 7.42 Q105H-N 119.0 8.61 Q105HE21-NE2 111.67 7.58 Q105HE22-NE2 111.67 6.93 I106H-N 121.93 8.5 A107H-N 130.24 8.51 S108H-N 112.49 7.77 L109H-N 127.79 9.31 S110H-N 117.05 8.2 G111H-N 116.07 9.54 I112H-N 122.42 8.24 E113H-N 119.0 9.77 K114H-N 116.07 7.41 L115H-N 122.42 7.91 V116H-N 110.05 7.46 N117H-N 120.47 8.98 L118H-N 121.93 7.62 R119H-N 123.24 9.66 V120H-N 121.44 7.82 L121H-N 127.79 8.46 Y122H-N 127.31 8.9 M123H-N 125.35 8.82 S124H-N 121.44 8.47 N125H-N 115.09 8.59 N125HD21-ND2 113.62 7.5 N125HD22-ND2 113.62 7.0 N126H-N 115.09 6.05 K127H-N 117.72 8.28 I128H-N 120.95 8.46 T129H-N 117.53 9.73 N130H-N 117.05 7.04 N130HD21-ND2 116.56 8.1 N130HD22-ND2 116.56 7.1 W131H-N 122.71 8.78 W131HE1-NE1 127.63 10.24 G132H-N 107.76 8.76 E133H-N 115.89 7.37 I134H-N 118.51 7.04 D135H-N 119.31 8.18 K136H-N 119.0 7.27 L137H-N 114.6 7.78 A138H-N 120.95 7.5 A139H-N 117.53 7.2 L140H-N 120.47 7.64 D141H-N 123.89 8.35 K142H-N 117.53 8.98 L143H-N 122.42 7.05 E144H-N 125.84 9.56 D145H-N 123.4 7.68 L146H-N 126.33 8.1 L147H-N 130.24 8.43 L148H-N 126.33 10.08 A149H-N 125.84 7.22 G150H-N 106.78 6.05 N151H-N 118.02 7.27 L153H-N 114.11 8.06 Y154H-N 113.91 6.35 N155H-N 122.42 8.58 N155HD21-ND2 109.7 7.6 N155HD22-ND2 109.7 6.46 D156H-N 121.44 8.56 Y157H-N 117.05 7.01 K158H-N 123.4 8.1 E159H-N 120.47 8.66 N160H-N 115.38 7.05 N160HD21-ND2 113.62 7.52 N160HD22-ND2 113.62 6.8 N161H-N 116.34 8.17 N161HD21-ND2 113.62 7.71 N161HD22-ND2 113.62 6.94 A162H-N 119.98 8.48 T163H-N 118.39 8.27 S164H-N 117.05 8.94 E165H-N 123.4 7.52 Y166H-N 123.4 7.43 R167H-N 120.95 8.18 I168H-N 117.53 7.42 E169H-N 119.49 7.71 V170H-N 120.47 7.78 V171H-N 120.47 7.98 K172H-N 119.98 8.7 R173H-N 118.02 6.87 R173HE-NE 85.44 7.6 L174H-N 119.88 7.86 N176H-N 115.58 8.88 N176HD21-ND2 114.11 7.58 N176HD22-ND2 114.11 7.02 L177H-N 121.93 7.58 K178H-N 121.93 8.8 K179H-N 123.89 8.59 L180H-N 124.37 8.35 D181H-N 129.26 9.96 G182H-N 104.31 9.38 M183H-N 120.95 7.96 V185H-N 123.89 7.73 D186H-N 133.17 9.2 V187H-N 119.98 8.45 D188H-N 120.95 8.44 E189H-N 120.95 7.96 R190H-N 118.51 7.96 R190HE-NE 84.6 7.6 E191H-N 119.34 8.23 Q192H-N 119.0 8.14 Q192HE21-NE2 112.16 7.35 Q192HE22-NE2 112.16 6.83 A193H-N 122.78 8.28 N194H-N 116.84 8.03 N194HD21-ND2 112.16 7.6 N194HD22-ND2 112.16 6.85 V195H-N 120.47 7.84 A196H-N 123.7 7.95 R197H-N 119.0 8.06 R197HE-NE 84.64 7.58 G198H-N 108.25 7.95 G199H-N 115.58 7.9