Assignment w1 w2 S2H-N 115.24 8.56 R3H-N 122.14 8.52 R3HE-NE 86.186 7.269 R4H-N 125.52 8.23 R4HE-NE 84.793 7.38 I5H-N 117.48 7.61 F6H-N 126.35 8.88 T7H-N 113.66 8.48 H9H-N 112.47 7.94 F10H-N 121.57 7.91 K11H-N 117.21 7.51 L12H-N 114.73 7.8 Q13H-N 121.96 7.65 Q13HE21-NE2 110.735 6.892 Q13HE22-NE2 110.735 7.201 V14H-N 121.33 7.56 L15H-N 117.82 7.82 E16H-N 119.08 8.31 S17H-N 118.58 8.16 Y18H-N 120.4 8.18 R19H-N 115.07 7.55 R19HE-NE 83.797 7.348 N20H-N 113.58 8.13 N20HD21-ND2 115.28 6.931 N20HD22-ND2 115.28 7.696 D21H-N 123.78 9.02 N22H-N 121.55 9.02 N22HD21-ND2 112.651 6.958 N22HD22-ND2 112.651 7.636 D23H-N 113.87 8.8 C24H-N 113.61 7.56 K25H-N 121.34 7.93 G26H-N 109.98 8.66 N27H-N 117.54 7.95 Q28H-N 129.44 10.87 Q28HE21-NE2 107.196 6.218 Q28HE22-NE2 107.196 7.76 R29H-N 120.72 8.5 A30H-N 121.41 8.4 T31H-N 119.01 8.43 A32H-N 123.7 8.43 R33H-N 115.74 7.9 R33HE-NE 81.742 7.41 K34H-N 119.86 7.77 Y35H-N 113.24 7.35 N36H-N 118.17 8.08 N36HD21-ND2 111.31 6.863 N36HD22-ND2 111.31 7.611 I37H-N 111.09 8.04 H38H-N 121.83 9.71 R39H-N 123.94 8.04 R39HE-NE 80.794 7.09 Q41H-N 115.22 7.3 Q41HE21-NE2 115.725 7.65 Q41HE22-NE2 115.725 7.782 I42H-N 114.01 6.18 Q43H-N 114.56 6.83 Q43HE21-NE2 109.837 5.669 Q43HE22-NE2 109.837 7.777 K44H-N 117.12 7.98 W45H-N 123.22 9.05 W45HE1-NE1 128.632 11.089 L46H-N 118.0 8.09 Q47H-N 116.43 7.4 Q47HE21-NE2 110.957 6.829 Q47HE22-NE2 110.957 7.363 C48H-N 114.23 7.89 E49H-N 124.41 7.28 S50H-N 112.66 8.81 N51H-N 120.73 7.8 N51HD21-ND2 111.942 6.967 N51HD22-ND2 111.942 7.681 L52H-N 120.97 8.12 R53H-N 117.11 8.46 R53HE-NE 84.405 7.633 S54H-N 114.05 7.89 S55H-N 116.26 7.85 V56H-N 117.22 7.48 A57H-N 124.63 7.79 N58H-N 116.99 8.18 N58HD21-ND2 112.607 6.846 N58HD22-ND2 112.607 7.564 N59H-N 123.72 7.88 N59HD21-ND2 112.192 6.774 N59HD22-ND2 112.192 7.465