Assignment  	    w1		    w2

Y22H-N    		122.351		 8.046
H23H-N    		122.438		 8.408
A24H-N    		126.304		 8.237
D25H-N    		125.668		  8.84
S27H-N    		115.688		 8.637
L28H-N    		128.006		 7.731
V29H-N    		120.708		 7.627
S30H-N    		120.076		 8.901
F31H-N    		124.906		 7.699
L32H-N    		118.542		 8.022
T33H-N    		118.654		 8.419
G34H-N    		113.783		 8.294
L35H-N    		119.149		 6.852
G36H-N    		107.891		 7.792
C37H-N    		115.659		 8.132
N39H-N    		118.356		  8.61
N39HD21-ND2		114.685		 6.278
N39HD22-ND2		114.685		 7.801
C40H-N    		116.777		 7.739
I41H-N    		123.184		 7.613
E42H-N    		119.701		 8.489
Y43H-N    		120.121		 7.199
F44H-N    		115.336		 7.394
T45H-N    		115.14		 8.648
S46H-N    		119.611		 8.242
Q47H-N    		120.356		 7.088
Q47HE21-NE2		115.534		 7.009
Q47HE22-NE2		115.534		 7.583
G48H-N    		108.546		 7.683
L49H-N    		125.051		 7.663
Q50H-N    		120.387		 8.327
Q50HE21-NE2		112.814		 6.888
Q50HE22-NE2		112.814		 7.561
S51H-N    		116.339		 8.084
I52H-N    		123.63		 8.375
Y53H-N    		122.269		 7.329
H54H-N    		118.836		 7.454
L55H-N    		120.218		 7.387
Q56H-N    		117.12		 7.147
Q56HE21-NE2		112.316		  6.67
Q56HE22-NE2		112.316		 7.067
N57H-N    		117.106		 8.276
N57HD21-ND2		115.785		 6.891
N57HD22-ND2		115.785		 7.584
L58H-N    		122.538		 7.511
T59H-N    		115.242		 9.413
I60H-N    		122.642		 8.241
E61H-N    		124.709		 8.301
D62H-N    		124.407		 8.013
L63H-N    		119.273		 7.856
G64H-N    		107.523		 7.715
A65H-N    		129.939		   8.0
L66H-N    		119.287		 7.551
K67H-N    		113.074		 7.737
I68H-N    		120.715		 7.122
E70H-N    		126.885		 9.041
Q71H-N    		118.365		  9.18
Q71HE21-NE2		113.784		 6.854
Q71HE22-NE2		113.784		 7.206
Y72H-N    		119.047		 7.685
R73H-N    		120.76		 7.604
M74H-N    		118.901		 8.777
T75H-N    		120.328		 8.041
I76H-N    		123.232		 8.115
W77H-N    		122.817		 8.867
W77HE1-NE1		132.207		10.175
R78H-N    		119.942		 9.119
G79H-N    		109.193		 7.968
L80H-N    		125.019		 8.549
Q81H-N    		120.75		 7.863
Q81HE21-NE2		116.961		 5.969
Q81HE22-NE2		116.961		 6.778
D82H-N    		121.678		 7.875
L83H-N    		121.845		 7.432
K84H-N    		120.651		 7.674
Q85H-N    		120.776		 7.844
Q85HE21-NE2		114.219		 6.805
Q85HE22-NE2		114.219		 7.468
G86H-N    		111.07		 8.162
H87H-N    		120.199		 8.102
D88H-N    		123.632		 8.382
Y89H-N    		126.553		 7.618