Assignment w1 w2 C9H-N 117.65 7.78 G10H-N 104.65 9.14 L11H-N 120.23 7.33 R12H-N 120.65 8.64 L14H-N 109.83 7.75 F15H-N 113.57 7.07 E16H-N 125.88 9.01 K17H-N 113.83 7.76 K18H-N 117.02 7.22 S19H-N 112.52 7.68 L20H-N 120.49 7.84 E21H-N 121.99 8.36 D22H-N 125.37 9.7 K23H-N 117.58 9.97 T24H-N 104.28 8.09 E25H-N 123.41 8.04 R26H-N 122.65 8.87 E27H-N 118.67 7.55 L28H-N 117.77 7.09 L29H-N 120.35 7.15 E30H-N 116.95 8.34 S31H-N 114.85 7.2 Y32H-N 121.67 6.59 I33H-N 118.4 7.1 D34H-N 128.04 8.06 G35H-N 110.55 8.3 R36H-N 126.13 7.73 V38H-N 130.67 9.08 E39H-N 120.69 9.26 G40H-N 106.22 7.9 S41H-N 112.94 8.44 D42H-N 121.23 8.37 A43H-N 125.81 8.86 E44H-N 121.01 7.23 I45H-N 125.26 8.56 G46H-N 113.47 9.08 M47H-N 117.6 7.61 S48H-N 115.35 8.89 W50H-N 117.93 5.8 Q51H-N 125.37 8.19 V52H-N 131.18 8.77 M53H-N 126.63 8.95 L54H-N 128.75 8.91 F55H-N 131.87 9.03 R56H-N 130.1 8.37 K57H-N 120.39 7.21 S58H-N 110.46 7.71 Q60H-N 116.81 7.88 E61H-N 120.24 6.15 L62H-N 124.89 7.85 L63H-N 125.27 8.35 C64H-N 116.2 7.71 G65H-N 106.62 8.89 A66H-N 117.39 7.97 S67H-N 114.86 9.77 L68H-N 126.7 9.36 I69H-N 118.32 8.08 S70H-N 116.96 8.43 D71H-N 115.83 8.91 R72H-N 114.31 7.79 W73H-N 118.34 7.19 V74H-N 121.09 9.12 L75H-N 129.92 9.56 T76H-N 120.87 9.19 A77H-N 123.33 8.02 A78H-N 127.79 6.47 H79H-N 116.5 10.46 C80H-N 116.63 6.85 L81H-N 116.68 7.38 L82H-N 119.8 8.1 Y83H-N 125.83 9.21 W86H-N 113.5 7.02 D87H-N 119.3 8.58 K88H-N 115.85 6.71 F90H-N 122.39 8.63 T91H-N 111.76 9.19 E92H-N 119.2 10.18 N93H-N 113.89 8.01 D94H-N 116.13 7.82 L95H-N 117.2 6.96 L96H-N 117.81 8.97 V97H-N 114.35 8.27 R98H-N 120.95 8.71 I99H-N 130.55 9.83 G100H-N 117.1 8.81 K101H-N 114.17 8.22 H102H-N 121.03 10.12 S103H-N 117.91 9.64 R104H-N 124.74 8.19 T105H-N 97.73 7.06 R106H-N 124.75 7.89 Y107H-N 124.23 9.31 E108H-N 133.81 9.5 R109H-N 125.54 6.93 I111H-N 121.75 7.78 E112H-N 115.69 8.03 K113H-N 119.94 9.01 I114H-N 123.86 8.02 S115H-N 120.51 8.84 M116H-N 122.78 8.63 L117H-N 122.33 9.34 E118H-N 122.3 9.21 K119H-N 114.58 7.09 I120H-N 123.69 8.32 Y121H-N 125.58 9.42 I122H-N 125.95 8.98 H123H-N 129.91 6.92 R125H-N 121.35 11.21 Y126H-N 124.3 7.54 N127H-N 131.91 8.77 W128H-N 118.92 6.37 R129H-N 120.68 6.87 E130H-N 115.98 7.14 N131H-N 113.4 7.22 L132H-N 110.95 7.72 D133H-N 116.89 7.14 R134H-N 119.22 8.7 D135H-N 114.53 6.89 I136H-N 126.81 8.31 A137H-N 127.35 8.29 L138H-N 121.92 9.49 M139H-N 118.46 9.61 K140H-N 126.36 8.71 L141H-N 128.03 8.68 K142H-N 120.54 8.1 K143H-N 114.95 7.33 V145H-N 122.17 8.7 A146H-N 127.66 7.87 F147H-N 122.19 7.81 S148H-N 118.63 9.75 D149H-N 118.97 8.54 Y150H-N 113.03 7.7 I151H-N 118.97 6.96 H152H-N 126.26 7.53 V154H-N 122.69 8.08 C155H-N 119.97 6.79 L156H-N 122.38 9.11 D158H-N 118.2 7.12 E160H-N 119.33 8.39 T161H-N 119.2 7.9 A162H-N 121.77 7.84 A163H-N 118.49 7.78 S164H-N 110.76 7.54 L165H-N 116.44 7.55 L166H-N 118.99 7.23 Q167H-N 123.0 7.29 A168H-N 123.36 8.18 G169H-N 111.31 8.96 Y170H-N 123.87 8.07 K171H-N 119.77 8.95 G172H-N 107.61 8.44 R173H-N 120.19 8.59 V174H-N 128.35 9.29 T175H-N 111.84 6.73 G176H-N 105.81 7.95 W177H-N 122.73 9.56 G178H-N 107.8 8.72 N179H-N 116.01 8.2 L180H-N 120.08 8.26 K181H-N 113.71 7.5 E182H-N 121.47 9.07 T183H-N 111.65 7.8 V195H-N 113.02 7.55 L196H-N 122.28 7.09 Q197H-N 122.75 7.15 V198H-N 118.82 8.97 V199H-N 126.15 8.72 N200H-N 126.45 8.59 L201H-N 121.39 8.95 I203H-N 122.37 8.6 V204H-N 133.56 7.88 E205H-N 126.33 9.56 R206H-N 124.4 8.83 V208H-N 117.57 6.73 C209H-N 118.47 7.67 K210H-N 121.59 8.68 D211H-N 116.25 7.74 S212H-N 114.01 7.8 T213H-N 118.27 7.54 R214H-N 124.14 8.73 I215H-N 126.96 8.14 R216H-N 127.58 8.13 I217H-N 123.67 7.7 T218H-N 110.86 7.23 N220H-N 112.55 8.08 M221H-N 124.17 8.23 F222H-N 117.13 8.9 C223H-N 121.08 8.74 A224H-N 120.93 8.52 G225H-N 110.03 8.73 Y226H-N 118.87 9.52 K227H-N 124.64 10.01 D229H-N 113.67 8.4 E230H-N 118.06 7.73 G231H-N 107.58 8.03 K232H-N 119.42 6.68 R233H-N 118.28 7.95 G234H-N 107.21 8.6 D235H-N 117.86 8.25 A236H-N 124.49 8.8 C237H-N 115.23 9.55 E238H-N 123.07 8.14 G242H-N 110.67 8.98 G243H-N 105.11 8.07 F245H-N 123.88 7.93 V246H-N 122.83 9.58 M247H-N 118.55 9.18 K248H-N 123.29 6.77 S249H-N 120.7 8.85 F251H-N 118.52 7.61 N252H-N 113.3 7.17 N253H-N 114.2 7.77 R254H-N 112.84 7.39 W255H-N 120.62 8.69 Y256H-N 118.44 8.97 Q257H-N 121.67 8.93 M258H-N 121.71 8.42 G259H-N 104.77 8.88 I260H-N 122.29 7.88 V261H-N 127.29 9.31 S262H-N 122.73 7.57 W263H-N 114.33 7.91 G264H-N 107.18 8.88 E265H-N 125.27 9.52 G266H-N 113.58 8.52 C267H-N 117.76 9.06 D268H-N 126.9 10.7 R269H-N 117.36 8.32 D270H-N 124.89 8.92 G271H-N 112.26 9.07 K272H-N 116.98 7.01 Y273H-N 118.77 8.99 G274H-N 108.84 7.62 F275H-N 118.71 8.6 Y276H-N 122.65 8.79 T277H-N 120.63 9.18 H278H-N 130.62 8.5 V279H-N 126.2 7.76 F280H-N 118.98 9.85 R281H-N 119.34 8.31 L282H-N 119.8 7.31 K283H-N 123.6 7.62 W285H-N 121.04 7.58 I286H-N 117.59 7.56 Q287H-N 114.5 8.25 K288H-N 119.46 7.36 V289H-N 120.39 7.24 I290H-N 117.53 7.17 D291H-N 119.64 8.07 Q292H-N 117.97 7.66 F293H-N 117.78 8.05 G294H-N 110.38 7.99 E295H-N 125.93 7.84