Assignment w1 w2 D5H-N 120.5 8.228 L6H-N 123.29 8.267 S8H-N 117.29 8.599 A9H-N 125.04 8.499 F10H-N 117.81 7.948 E11H-N 121.08 8.473 E12H-N 117.15 8.135 K13H-N 118.33 7.767 A14H-N 122.16 8.382 I15H-N 117.86 8.457 E16H-N 118.19 7.357 K17H-N 117.19 7.731 V18H-N 120.69 8.638 D19H-N 123.34 8.81 D20H-N 116.96 7.863 L21H-N 122.49 7.833 L22H-N 124.05 9.129 E23H-N 122.25 8.24 S24H-N 115.11 8.321 Y25H-N 116.2 8.939 M26H-N 114.17 8.436 G27H-N 109.87 8.026 I28H-N 117.05 7.119 R29H-N 119.27 7.761 R29HE-NE 85.52 7.158 D30H-N 124.01 10.014 T31H-N 119.89 8.716 E32H-N 122.96 8.177 L33H-N 124.99 7.845 A34H-N 121.21 8.569 A35H-N 118.85 8.364 T36H-N 118.47 8.201 M37H-N 120.45 8.324 V38H-N 118.76 8.1 E39H-N 119.8 8.042 L40H-N 116.44 8.144 G41H-N 103.96 8.318 K42H-N 120.27 8.132 D43H-N 117.1 8.297 K44H-N 117.71 7.39 R45H-N 121.31 9.28 N46H-N 112.37 7.297 N46HD21-ND2 115.12 6.924 N46HD22-ND2 115.12 7.514 D48H-N 118.71 7.845 E49H-N 119.56 8.02 L50H-N 120.27 7.303 A51H-N 122.44 8.659 E52H-N 117.0 7.83 A53H-N 121.87 7.55 L54H-N 118.33 8.602 D55H-N 119.89 8.153 E56H-N 116.44 7.707 R57H-N 115.82 7.999 L58H-N 121.73 8.4 G59H-N 108.31 8.126 D60H-N 118.52 8.529 F61H-N 118.94 7.74 A62H-N 124.47 7.96 F63H-N 120.8 8.49 D65H-N 124.0 9.072 E66H-N 117.81 9.554 F67H-N 118.28 6.962 V68H-N 119.13 7.577 F69H-N 118.91 8.071 D70H-N 122.01 8.056 V71H-N 124.38 8.623 W72H-N 120.22 8.466 G73H-N 106.18 8.219 A74H-N 124.71 8.056 I75H-N 117.52 8.041 G76H-N 107.22 7.595 D77H-N 122.21 8.382 A78H-N 121.97 7.869 K79H-N 117.48 7.96 V80H-N 112.33 7.306 G81H-N 110.67 7.915 R82H-N 121.26 8.035 Y83H-N 125.94 7.631