Assignment w1 w2 K3H-N 122.6 8.45 C4H-N 120.9 8.67 D5H-N 123.4 8.51 I6H-N 123.9 8.47 T7H-N 117.0 8.31 L8H-N 121.2 7.7 Q9H-N 116.7 7.85 Q9HE21-NE2 111.1 7.16 Q9HE22-NE2 111.1 6.83 E10H-N 119.2 7.97 I11H-N 122.3 8.12 I12H-N 120.4 7.95 K13H-N 119.5 7.97 T14H-N 117.0 8.13 L15H-N 121.5 8.56 N16H-N 120.0 8.45 N16HD21-ND2 110.3 7.48 N16HD22-ND2 110.3 6.55 S17H-N 115.8 7.77 L18H-N 120.5 8.04 T19H-N 107.4 7.67 E20H-N 120.0 7.37 Q21H-N 117.1 7.42 Q21HE21-NE2 110.6 7.4 Q21HE22-NE2 110.6 6.55 K22H-N 122.9 8.16 T23H-N 115.0 8.23 L24H-N 121.6 8.47 C25H-N 114.4 8.41 T26H-N 108.1 7.75 L28H-N 118.6 7.04 T29H-N 108.1 7.78 V30H-N 113.9 8.99 T31H-N 118.4 7.78 D32H-N 123.8 8.58 I33H-N 116.3 7.01 F34H-N 120.2 8.14 A35H-N 123.6 7.44 A36H-N 120.5 7.67 S37H-N 114.1 7.81 K38H-N 122.4 8.14 N39H-N 117.9 8.41 N39HD21-ND2 112.4 7.52 N39HD22-ND2 112.4 6.83 T40H-N 114.3 7.73 T41H-N 114.7 8.43 E42H-N 123.1 8.73 K43H-N 116.1 7.99 E44H-N 117.8 7.5 T45H-N 118.2 8.1 F46H-N 119.9 8.3 C47H-N 119.8 8.16 R48H-N 124.0 9.02 A49H-N 121.5 8.79 A50H-N 120.3 8.2 T51H-N 114.4 8.18 V52H-N 120.7 8.2 L53H-N 120.9 8.14 Q55H-N 120.6 8.06 Q55HE21-NE2 110.2 6.72 Q55HE22-NE2 110.2 7.27 F56H-N 119.2 8.03 Y57H-N 117.3 9.22 S58H-N 118.9 7.97 H59H-N 116.3 7.54 H60H-N 111.4 7.9 E61H-N 124.5 8.08 K62H-N 116.5 8.59 D63H-N 119.2 6.6 T64H-N 122.7 8.79 R65H-N 121.5 8.49 C66H-N 113.6 7.43 L67H-N 119.4 7.38 G68H-N 99.6 7.08 A69H-N 120.8 8.4 T70H-N 107.7 7.59 A71H-N 124.9 8.93 Q72H-N 117.0 8.5 Q72HE21-NE2 111.9 6.92 Q72HE22-NE2 111.9 7.52 Q73H-N 119.8 7.81 Q73HE21-NE2 112.6 7.04 Q73HE22-NE2 112.6 7.54 F74H-N 122.9 8.41 H75H-N 117.5 8.46 R76H-N 119.2 8.21 H77H-N 120.8 8.33 K78H-N 117.5 8.16 Q79H-N 118.5 7.9 Q79HE21-NE2 112.0 6.82 Q79HE22-NE2 112.0 7.08 L80H-N 121.7 7.89 I81H-N 116.4 8.1 R82H-N 119.4 7.84 F83H-N 119.0 8.51 L84H-N 120.4 8.81 K85H-N 119.0 8.14 R86H-N 120.5 7.64 L87H-N 120.3 8.51 D88H-N 117.5 8.36 R89H-N 115.2 7.59 N90H-N 116.9 8.21 N90HD21-ND2 108.8 7.17 N90HD22-ND2 108.8 7.01 L91H-N 121.7 8.81 W92H-N 119.3 9.04 G93H-N 106.2 8.03 L94H-N 121.2 7.68 A95H-N 119.8 7.98 G96H-N 102.1 7.59 L97H-N 118.6 7.51 N98H-N 117.2 8.42 N98HD21-ND2 112.3 7.37 N98HD22-ND2 112.3 6.81 S99H-N 112.0 7.48 C100H-N 118.9 8.93 V102H-N 122.3 8.41 K103H-N 128.1 8.51 E104H-N 123.4 8.26 A105H-N 125.5 8.15 N106H-N 117.9 8.3 N106HD21-ND2 113.8 7.78 N106HD22-ND2 113.8 6.99 Q107H-N 119.3 8.7 Q107HE21-NE2 113.3 6.61 Q107HE22-NE2 113.3 7.27 S108H-N 116.0 9.1 T109H-N 113.4 8.9 L110H-N 125.3 8.87 E111H-N 117.3 8.54 N112H-N 117.9 7.9 N112HD21-ND2 112.4 7.67 N112HD22-ND2 112.4 6.92 F113H-N 123.0 8.38 L114H-N 118.2 8.91 E115H-N 118.9 7.97 R116H-N 121.1 7.94 L117H-N 119.7 8.09 K118H-N 119.8 8.51 T119H-N 116.4 7.92 I120H-N 121.5 7.71 M121H-N 118.2 8.44 R122H-N 120.2 8.64 E123H-N 120.1 7.87 K124H-N 119.3 7.88 Y125H-N 120.1 8.55 S126H-N 114.8 8.1 K127H-N 119.0 7.53 C128H-N 115.6 7.75 S129H-N 116.1 7.97 S130H-N 123.3 7.77