Assignment w1 w2 C3H-N 120.99 8.56 A4H-N 126.57 8.46 D5H-N 119.73 8.23 V6H-N 121.37 7.93 L8H-N 122.39 8.22 L9H-N 123.26 8.2 T10H-N 117.06 8.13 K14H-N 122.99 8.37 E15H-N 120.58 8.31 M16H-N 119.72 8.14 M17H-N 120.5 8.24 S18H-N 116.15 8.28 Q19H-N 121.21 8.28 Q19HE21-NE2 112.65 7.61 Q19HE22-NE2 112.65 6.82 A20H-N 123.37 8.1 L21H-N 120.06 8.04 K22H-N 119.4 8.0 A23H-N 122.42 8.06 T24H-N 114.69 7.96 F25H-N 119.55 8.39 S26H-N 117.25 8.21 G27H-N 110.61 9.01 F28H-N 121.52 7.86 T29H-N 114.28 7.61 K30H-N 119.42 7.4 E31H-N 122.34 6.97 Q32H-N 118.51 8.26 Q32HE21-NE2 110.99 6.38 Q32HE22-NE2 110.99 6.95 Q33H-N 116.14 7.37 Q33HE21-NE2 111.49 7.37 Q33HE22-NE2 111.49 6.75 R34H-N 121.13 7.89 L35H-N 114.6 8.04 G36H-N 110.64 7.54 I37H-N 121.76 7.83 K39H-N 122.44 8.4 D40H-N 115.73 7.48 R42H-N 116.16 7.97 Q43H-N 117.13 8.14 Q43HE21-NE2 112.09 7.55 Q43HE22-NE2 112.09 6.86 W44H-N 120.91 7.63 W44HE1-NE1 127.92 9.96 T45H-N 121.93 11.18 E46H-N 118.69 9.48 T47H-N 116.66 7.77 H48H-N 123.14 7.04 V49H-N 116.35 8.28 R50H-N 119.39 7.83 D51H-N 119.71 8.45 W52H-N 124.58 8.49 W52HE1-NE1 135.33 11.7 V53H-N 119.71 8.7 M54H-N 117.78 8.86 W55H-N 121.78 8.17 W55HE1-NE1 130.47 10.28 A56H-N 123.7 8.45 V57H-N 117.82 8.85 N58H-N 116.05 7.54 N58HD21-ND2 114.14 7.72 N58HD22-ND2 114.14 6.81 E59H-N 122.39 8.44 F60H-N 112.51 7.79 S61H-N 114.96 7.4 L62H-N 116.73 7.98 K63H-N 122.91 8.58 G64H-N 108.34 8.49 V65H-N 120.82 8.1 D66H-N 128.47 9.0 F67H-N 123.85 8.5 Q68H-N 118.61 8.56 Q68HE21-NE2 112.44 7.74 Q68HE22-NE2 112.44 6.87 K69H-N 117.0 7.54 F70H-N 113.73 7.28 C71H-N 119.92 7.22 M72H-N 123.5 8.47 S73H-N 112.87 8.52 G74H-N 108.01 8.85 A75H-N 123.01 8.44 A76H-N 121.33 7.62 L77H-N 120.91 8.32 C78H-N 112.59 8.24 A79H-N 119.76 7.37 L80H-N 119.4 7.35 G81H-N 105.61 7.88 K82H-N 121.45 8.12 E83H-N 115.09 8.44 C84H-N 116.87 7.91 F85H-N 122.62 8.43 L86H-N 116.64 8.5 E87H-N 115.0 7.04 L88H-N 117.97 7.69 A89H-N 117.52 7.16 D91H-N 122.68 8.6 F92H-N 119.62 8.64 V93H-N 120.43 8.2 G94H-N 104.26 7.94 D95H-N 119.41 8.03 I96H-N 119.55 7.46 L97H-N 117.73 7.64 W98H-N 118.95 8.91 W98HE1-NE1 128.2 9.81 E99H-N 116.85 7.94 H100H-N 118.48 7.9 L101H-N 118.87 8.08 E102H-N 118.72 7.94 I103H-N 120.82 7.68 L104H-N 120.38 8.37 Q105H-N 114.22 7.33 Q105HE21-NE2 109.9 6.68 Q105HE22-NE2 109.9 6.01 K106H-N 119.45 7.41 E107H-N 121.44 7.98 D108H-N 121.67 8.32 V109H-N 120.68 7.96 K110H-N 130.48 7.9