Assignment w1 w2 R18H-N 122.6 8.15 M19H-N 116.5 7.91 S20H-N 123.5 8.41 K22H-N 122.1 8.77 E24H-N 121.4 8.22 L25H-N 123.6 8.35 T26H-N 113.9 8.75 E27H-N 121.7 9.02 E28H-N 119.9 8.78 Q29H-N 120.6 7.85 Q29HE21-NE2 113.2 7.62 Q29HE22-NE2 113.2 6.84 K30H-N 119.5 8.4 Q31H-N 120.2 8.15 Q31HE21-NE2 112.8 7.81 Q31HE22-NE2 112.8 6.8 E32H-N 122.4 7.91 I33H-N 120.8 8.09 R34H-N 122.0 8.29 E35H-N 119.1 8.4 A36H-N 121.6 7.81 F37H-N 118.2 8.1 D38H-N 117.5 8.73 L39H-N 120.7 7.43 F40H-N 115.0 7.38 D41H-N 123.0 7.51 A42H-N 127.1 7.99 D43H-N 115.1 8.5 G44H-N 111.5 7.99 T45H-N 113.3 9.22 G46H-N 115.9 10.63 T47H-N 111.6 7.74 I48H-N 114.2 8.51 D49H-N 123.8 8.57 V50H-N 123.3 8.45 K51H-N 121.7 8.97 E52H-N 118.4 8.07 L53H-N 122.3 7.73 K54H-N 116.0 8.39 V55H-N 118.5 7.12 A56H-N 126.0 8.04 M57H-N 114.6 8.37 R58H-N 121.6 7.94 A59H-N 124.7 8.24 L60H-N 117.2 7.38 G61H-N 106.8 7.95 F62H-N 120.5 7.99 E63H-N 122.2 8.54 E67H-N 118.9 9.41 E68H-N 118.9 9.41 I69H-N 120.7 7.89 K70H-N 119.7 7.78 K71H-N 120.1 7.5 M72H-N 119.7 8.21 I73H-N 120.7 8.43 S74H-N 115.1 7.73 E75H-N 119.7 7.55 I76H-N 117.3 7.92 D77H-N 122.3 8.45 K78H-N 123.0 8.01 E79H-N 116.7 8.71 G80H-N 109.9 7.89 T81H-N 114.3 9.24 G82H-N 114.1 10.37 K83H-N 121.0 7.92 M84H-N 118.4 8.96 N85H-N 122.1 9.26 N85HD21-ND2 112.8 7.54 N85HD22-ND2 112.8 6.82 F86H-N 120.3 8.53 G87H-N 107.4 8.43 D88H-N 122.7 8.03 F89H-N 122.5 7.91 L90H-N 120.5 8.81 T91H-N 119.2 8.01 V92H-N 120.8 7.71 M93H-N 117.6 8.11 T94H-N 115.3 8.23 Q95H-N 119.9 7.4 Q95HE21-NE2 112.0 7.3 Q95HE22-NE2 112.0 6.86 K96H-N 118.0 7.5 M97H-N 118.4 7.71 S98H-N 121.4 7.51