Assignment w1 w2 C8H-N 126.88 8.88 S9H-N 120.51 8.72 E10H-N 119.92 8.87 Y11H-N 119.83 7.5 K13H-N 120.66 9.52 A15H-N 123.93 7.29 C16H-N 116.23 8.87 T17H-N 111.47 7.77 L18H-N 120.1 8.21 E19H-N 131.45 7.95 Y20H-N 123.99 9.11 C24H-N 121.9 8.22 G25H-N 116.69 9.39 S26H-N 119.15 9.36 D27H-N 122.47 8.44 N28H-N 117.01 8.66 K29H-N 120.8 7.89 T30H-N 122.19 8.19 Y31H-N 131.16 9.75 G32H-N 110.28 9.09 N33H-N 109.99 7.77 K34H-N 119.93 9.01 C35H-N 122.46 8.14 N36H-N 118.95 8.4 F37H-N 119.85 8.53 C38H-N 117.91 9.13 N39H-N 120.38 8.02 A40H-N 125.3 7.44 V41H-N 124.35 8.57 V42H-N 120.29 7.94 E43H-N 122.39 7.76 S44H-N 114.43 7.83 N45H-N 121.77 8.49 G46H-N 104.48 8.01 T47H-N 111.88 7.61 L48H-N 126.01 7.75 T49H-N 117.18 8.56 L50H-N 123.16 8.73 S51H-N 124.02 8.91 H52H-N 109.96 7.24 F53H-N 120.69 8.94 G54H-N 114.86 8.26 K55H-N 114.02 7.81 C56H-N 125.54 8.19