Assignment w1 w2 N1H-N 125.8 8.29 I2H-N 121.1 8.29 S3H-N 119.3 8.47 Q4H-N 121.6 8.32 H5H-N 113.6 7.76 Q6H-N 122.5 7.42 Q6HE21-NE2 112.6 7.59 Q6HE22-NE2 112.6 6.92 C7H-N 124.5 9.18 V8H-N 119.1 10.42 K9H-N 124.1 9.42 K10H-N 122.4 8.94 Q14H-N 120.5 8.48 Q14HE21-NE2 112.6 7.59 Q14HE22-NE2 112.6 6.92 N15H-N 115.8 8.93 N15HD21-ND2 115.4 6.97 N15HD22-ND2 115.4 7.12 S16H-N 109.9 7.34 G17H-N 108.5 8.92 C18H-N 120.5 7.01 F19H-N 132.0 9.12 R20H-N 129.4 7.76 R20HH11-NH1 70.1 6.23 R20HH12-NH1 70.1 6.23 R20HH21-NH2 70.1 6.23 R20HH22-NH2 70.1 6.23 R20HE-NE 85.0 7.18 H21H-N 125.9 9.3 L22H-N 122.0 9.3 D23H-N 116.9 7.86 E24H-N 110.3 8.01 R25H-N 121.9 8.04 R25HH11-NH1 70.3 6.71 R25HH12-NH1 70.3 6.71 R25HH21-NH2 70.3 6.71 R25HH22-NH2 70.3 6.71 R25HE-NE 85.8 8.01 E26H-N 124.3 8.69 E27H-N 123.9 9.07 C28H-N 122.0 8.88 K29H-N 124.0 8.76 K29HZ1-NZ 33.0 7.23 K29HZ2-NZ 33.0 7.23 K29HZ3-NZ 33.0 7.23 C30H-N 121.7 8.78 L31H-N 119.2 7.81 L32H-N 118.4 8.91 N33H-N 110.8 8.84 N33HD21-ND2 112.0 6.86 N33HD22-ND2 112.0 7.25 Y34H-N 118.6 8.61 K35H-N 119.7 9.99 Q36H-N 124.9 8.77 Q36HE21-NE2 110.9 7.5 Q36HE22-NE2 110.9 6.55 E37H-N 130.2 8.96 G38H-N 118.4 9.2 D39H-N 127.1 8.81 K40H-N 118.0 7.86 C41H-N 119.8 8.95 V42H-N 118.7 9.35 E43H-N 123.4 9.18 N44H-N 120.2 8.25 N44HD21-ND2 112.1 8.07 N44HD22-ND2 112.1 7.24 N46H-N 114.0 7.47 N46HD21-ND2 112.6 7.57 N46HD22-ND2 112.6 6.91 T48H-N 112.4 8.28 C49H-N 125.3 9.35 N50H-N 116.4 8.36 N50HD21-ND2 113.6 7.6 N50HD22-ND2 113.6 6.97 E51H-N 119.2 7.43 N52H-N 125.4 9.57 N52HD21-ND2 112.8 6.99 N52HD22-ND2 112.8 7.71 N53H-N 119.3 9.31 N53HD21-ND2 111.6 6.95 N53HD22-ND2 111.6 6.26 G54H-N 106.3 7.92 G55H-N 105.3 8.06 C56H-N 117.6 7.77 D57H-N 122.3 8.37 A58H-N 127.2 8.48 D59H-N 116.7 9.11 A60H-N 121.9 7.94 K61H-N 122.5 9.06 C62H-N 131.5 9.19 T63H-N 125.9 9.23 E64H-N 123.0 8.61 E65H-N 123.0 8.76 D66H-N 123.9 8.79 S67H-N 119.1 8.38 G68H-N 112.2 8.65 S69H-N 117.7 8.58 N70H-N 118.4 8.39 G71H-N 108.1 7.88 K72H-N 120.8 8.39 K73H-N 122.6 8.81 I74H-N 126.8 8.54 T75H-N 120.3 8.88 C76H-N 121.5 8.82 E77H-N 123.0 8.64 C78H-N 129.1 9.71 T79H-N 114.7 8.2 K80H-N 124.8 8.56 D82H-N 117.9 8.78 S83H-N 112.9 7.39 Y84H-N 122.2 8.72 L86H-N 120.2 8.51 F87H-N 122.6 9.29 D88H-N 111.3 8.93 G89H-N 102.0 7.87 I90H-N 113.3 7.17 F91H-N 114.0 7.43 C92H-N 119.0 7.86 S93H-N 118.3 9.26 S94H-N 114.2 8.04