Assignment w1 w2 C3H-N 120.25 7.82 H7H-N 120.31 8.46 Q9H-N 118.76 9.08 T10H-N 117.03 6.86 A11H-N 123.69 8.53 F12H-N 119.32 8.39 C13H-N 114.84 7.89 N14H-N 115.91 8.26 S15H-N 116.54 7.18 D16H-N 119.65 7.92 L17H-N 116.19 7.4 V18H-N 121.93 8.24 I19H-N 121.67 9.3 R20H-N 121.31 8.87 A21H-N 124.61 9.48 K22H-N 119.31 8.37 F23H-N 124.94 9.63 V24H-N 118.32 7.92 G25H-N 109.83 8.26 T26H-N 116.24 8.39 E28H-N 121.68 8.45 V29H-N 127.86 9.0 N30H-N 127.66 8.57 N30HD21-ND2 114.99 7.61 N30HD22-ND2 114.99 7.15 Q31H-N 124.34 9.02 Q31HE21-NE2 112.4 7.49 Q31HE22-NE2 112.4 6.81 T32H-N 114.16 8.53 T33H-N 111.62 7.72 L34H-N 116.95 8.24 Y35H-N 117.65 7.83 Q36H-N 119.74 9.82 R37H-N 118.79 8.33 Y38H-N 122.68 9.12 E39H-N 126.1 9.0 I40H-N 121.35 8.31 K41H-N 120.82 8.55 M42H-N 129.25 9.57 T43H-N 120.6 9.2 K44H-N 121.35 7.3 M45H-N 125.27 8.72 Y46H-N 123.59 8.67 K47H-N 121.55 7.96 G48H-N 114.7 9.09 F49H-N 119.66 7.16 Q50H-N 118.23 8.78 Q50HE21-NE2 113.28 7.69 Q50HE22-NE2 113.28 7.04 A51H-N 122.5 7.71 L52H-N 116.36 7.71 G53H-N 109.12 7.93 D54H-N 120.82 8.34 A55H-N 123.83 8.14 A56H-N 121.83 7.69 D57H-N 119.08 8.08 I58H-N 123.72 7.55 R59H-N 125.25 8.61 F60H-N 113.8 7.12 V61H-N 117.22 8.62 Y62H-N 125.97 9.15 T63H-N 115.41 8.98 A65H-N 120.15 8.1 M66H-N 112.61 6.95 C70H-N 111.23 8.05 G71H-N 107.98 8.16 Y72H-N 125.64 8.45 F73H-N 131.54 8.41 H74H-N 125.34 7.33 R75H-N 126.98 7.92 S76H-N 113.15 6.46 H77H-N 123.78 8.92 N78H-N 119.59 8.18 N78HD21-ND2 112.71 7.72 N78HD22-ND2 112.71 7.01 R79H-N 125.28 8.98 S80H-N 114.19 8.28 E81H-N 123.59 7.5 E82H-N 125.19 9.03 F83H-N 125.36 9.97 L84H-N 126.52 9.62 I85H-N 125.04 9.3 A86H-N 133.12 8.16 G87H-N 106.61 8.49 K88H-N 120.28 8.37 L89H-N 125.33 9.8 Q90H-N 125.51 9.21 Q90HE21-NE2 111.16 7.02 Q90HE22-NE2 111.16 6.44 D91H-N 128.56 9.45 G92H-N 102.62 8.45 L93H-N 121.2 7.67 L94H-N 126.48 9.43 H95H-N 129.15 9.71 I96H-N 113.87 8.92 T97H-N 114.53 9.27 T98H-N 113.02 9.32 C99H-N 117.12 8.4 S100H-N 119.17 7.81 F101H-N 127.41 9.71 V102H-N 129.24 7.16 A103H-N 128.33 8.78 W105H-N 131.39 9.02 W105HE1-NE1 130.52 10.17 N106H-N 112.64 9.09 N106HD21-ND2 112.09 7.69 N106HD22-ND2 112.09 6.95 S107H-N 113.99 7.56 L108H-N 123.5 7.12 S109H-N 119.97 8.63 L110H-N 123.13 8.82 A111H-N 120.56 8.37 Q112H-N 119.53 7.61 Q112HE21-NE2 110.19 7.3 Q112HE22-NE2 110.19 6.86 R113H-N 119.7 8.39 R114H-N 120.94 8.34 G115H-N 112.09 7.53 F116H-N 120.27 7.78 T117H-N 107.11 7.6 K118H-N 120.03 7.96 T119H-N 111.04 8.14 Y120H-N 124.79 9.43 T121H-N 113.18 8.04 V122H-N 118.01 6.95 G123H-N 108.72 7.89 C124H-N 118.03 7.75 E125H-N 122.44 8.37 E126H-N 127.46 8.01