Assignment w1 w2 D2H-N 123.0 9.09 I3H-N 122.9 8.66 K4H-N 126.5 8.85 I5H-N 126.7 9.14 I6H-N 125.7 8.82 K7H-N 121.2 7.82 D8H-N 126.2 8.47 K9H-N 124.6 8.68 K10H-N 126.1 8.91 N11H-N 123.7 9.08 N11HD21-ND2 114.4 8.58 N11HD22-ND2 114.4 7.1 L13H-N 117.8 7.59 L14H-N 114.9 6.7 N15H-N 110.8 7.46 N15HD21-ND2 110.7 7.79 N15HD22-ND2 110.7 6.75 R16H-N 108.9 7.56 R16HE-NE 85.3 8.72 R17H-N 120.5 8.69 R17HE-NE 81.9 8.68 E18H-N 123.5 9.26 L19H-N 125.9 9.22 D20H-N 122.5 8.92 F21H-N 118.6 8.47 I22H-N 120.2 9.3 V23H-N 125.5 9.29 K24H-N 127.1 9.2 Y25H-N 119.3 7.41 E26H-N 118.1 8.52 G27H-N 111.5 8.62 S28H-N 118.7 8.29 T29H-N 118.9 8.23 S31H-N 117.4 8.88 R32H-N 122.0 8.89 R32HE-NE 84.0 7.38 N33H-N 116.2 8.48 N33HD21-ND2 113.3 7.68 N33HD22-ND2 113.3 7.03 D34H-N 121.4 7.9 V35H-N 120.7 7.98 R36H-N 119.8 8.47 R36HE-NE 82.8 6.88 N37H-N 115.3 8.09 N37HD21-ND2 111.2 7.55 N37HD22-ND2 111.2 6.72 K38H-N 120.6 7.62 L39H-N 120.5 8.62 A40H-N 119.4 8.28 A41H-N 118.1 7.39 M42H-N 118.5 8.16 L43H-N 116.4 7.72 N44H-N 118.1 7.93 N44HD21-ND2 111.7 7.47 N44HD22-ND2 111.7 6.76 A45H-N 120.4 8.16 L47H-N 125.2 8.17 E48H-N 112.5 8.85 L49H-N 115.5 7.11 L50H-N 121.2 7.5 V51H-N 126.5 9.4 I52H-N 126.6 9.12 Q53H-N 129.3 8.81 Q53HE21-NE2 111.9 7.52 Q53HE22-NE2 111.9 6.86 R54H-N 114.6 7.75 R54HE-NE 84.3 7.29 I55H-N 121.6 8.41 K56H-N 128.2 9.02 T57H-N 123.4 8.85 E58H-N 126.8 8.84 Y59H-N 124.2 8.49 G60H-N 113.0 8.56 M61H-N 116.8 7.69 Q62H-N 119.5 8.51 Q62HE21-NE2 111.7 7.34 Q62HE22-NE2 111.7 7.19 E63H-N 114.4 7.12 S64H-N 117.5 9.26 K65H-N 123.0 8.74 G66H-N 110.8 8.37 Y67H-N 120.6 8.18 A68H-N 128.7 9.51 K69H-N 117.8 8.94 L70H-N 123.0 8.86 Y71H-N 129.1 9.23 E72H-N 115.2 8.67 D73H-N 115.0 7.64 A74H-N 125.8 9.1 D75H-N 119.7 8.32 R76H-N 122.1 8.63 R76HE-NE 85.3 7.49 M77H-N 117.1 7.62 K78H-N 116.3 7.53 Q79H-N 116.7 7.55 Q79HE21-NE2 111.7 7.47 Q79HE22-NE2 111.7 6.8 V80H-N 118.2 8.21 E81H-N 116.9 8.59 Q82H-N 117.1 7.77 Q82HE21-NE2 111.4 7.47 Q82HE22-NE2 111.4 6.83 E83H-N 119.4 7.96 Y84H-N 118.4 7.93 V85H-N 119.9 7.61 L86H-N 123.1 7.99 K87H-N 121.0 8.08 R88H-N 121.1 8.13 R88HE-NE 84.6 7.21 N89H-N 118.9 8.34 N89HD21-ND2 112.7 7.6 N89HD22-ND2 112.7 6.89 A90H-N 123.7 8.08 V91H-N 120.5 8.12 G93H-N 110.4 8.64 S94H-N 115.2 8.16 E95H-N 122.4 8.72 T96H-N 114.0 8.13 E97H-N 122.8 8.37 G98H-N 109.6 8.45 E99H-N 120.5 8.29 E100H-N 120.9 8.54 A101H-N 123.1 8.12