Assignment w1 w2 C18H-N 117.118 7.975 Q19H-N 121.248 7.917 Q19HE21-NE2 113.55 7.633 Q19HE22-NE2 113.55 6.913 L20H-N 125.048 7.357 F21H-N 122.619 8.395 C22H-N 124.909 8.287 M24H-N 124.165 8.716 I25H-N 123.679 7.302 Y26H-N 130.535 8.954 A27H-N 134.254 8.831 I29H-N 115.079 8.232 C30H-N 124.23 8.856 A31H-N 134.726 9.396 T32H-N 113.454 9.29 D33H-N 130.509 8.102 G34H-N 112.582 8.888 V35H-N 123.201 8.489 S36H-N 119.781 9.621 Q37H-N 123.327 8.768 Q37HE21-NE2 111.022 6.74 Q37HE22-NE2 111.022 7.41 R38H-N 124.252 9.277 T39H-N 124.951 8.629 F40H-N 129.055 9.398 S41H-N 119.331 9.66 N42H-N 109.995 7.516 N42HD21-ND2 118.259 7.825 N42HD22-ND2 118.259 7.109 C44H-N 121.974 8.246 D45H-N 122.716 8.256 L46H-N 120.62 6.88 K47H-N 121.416 7.548 V48H-N 122.266 8.573 Y49H-N 122.375 8.123 N50H-N 120.078 8.638 N50HD21-ND2 108.87 7.527 N50HD22-ND2 108.87 7.388 C51H-N 123.009 7.904 W52H-N 119.491 7.707 W52HE1-NE1 129.365 10.048 N53H-N 118.561 7.614 N53HD21-ND2 119.427 6.531 N53HD22-ND2 119.427 6.759 D55H-N 117.852 8.604 N56H-N 118.503 7.636 N56HD21-ND2 115.286 7.575 N56HD22-ND2 115.286 7.562 Y58H-N 122.253 9.67 K59H-N 122.075 9.053 E60H-N 127.563 9.287 V61H-N 125.033 9.667 K62H-N 117.414 7.78 V63H-N 121.508 8.277 G64H-N 116.835 8.216 E65H-N 114.27 8.056 C66H-N 120.371 8.286 D67H-N 122.408 8.63 A69H-N 125.686 8.294 N70H-N 118.124 8.358 N70HD21-ND2 114.79 7.711 N70HD22-ND2 114.79 6.936 K71H-N 123.926 7.965 I75H-N 126.914 7.713