Assignment  	    w1		    w2

Y8H-N     		120.371		 8.125
Q12H-N    		121.795		 8.376
Q12HE21-NE2		112.516		 7.508
Q12HE22-NE2		112.516		 6.818
A13H-N    		126.391		 8.265
G15H-N    		109.237		 8.571
G16H-N    		108.654		  8.27
I17H-N    		120.16		 8.357
Q18H-N    		121.81		 8.554
Q18HE21-NE2		112.582		  7.78
Q18HE22-NE2		112.582		 6.799
E19H-N    		120.457		  8.09
I20H-N    		119.67		  7.63
V21H-N    		120.198		 8.433
A22H-N    		121.852		 8.088
M23H-N    		113.998		 7.573
S24H-N    		117.131		 7.556
E26H-N    		117.559		 8.063
D28H-N    		120.472		 8.442
T29H-N    		116.26		 8.403
Y30H-N    		123.617		 7.937
S31H-N    		115.863		  7.89
I32H-N    		120.521		 8.238
T33H-N    		109.275		 7.811
K34H-N    		123.083		 7.925
R35H-N    		118.881		 7.996
R35HE-NE  		85.074		 7.176
V36H-N    		119.364		 8.613
K37H-N    		116.614		 8.088
E38H-N    		120.458		 7.917
V39H-N    		119.767		 8.227
L40H-N    		119.276		 8.611
T41H-N    		115.536		 8.351
D42H-N    		122.785		 8.916
N43H-N    		112.779		 7.276
N43HD21-ND2		119.736		 8.625
N43HD22-ND2		119.736		 7.746
N44H-N    		117.46		 7.924
N44HD21-ND2		112.247		 7.558
N44HD22-ND2		112.247		 6.855
L45H-N    		118.542		 8.514
G46H-N    		108.995		 8.455
Q47H-N    		120.39		 8.565
Q47HE21-NE2		108.805		 7.483
Q47HE22-NE2		108.805		 6.758
R48H-N    		120.753		 8.692
L49H-N    		121.198		 7.821
F50H-N    		118.91		 7.901
G51H-N    		106.702		 8.966
E52H-N    		120.721		 8.405
S53H-N    		112.083		 8.156
I54H-N    		117.09		 7.834
L55H-N    		113.526		 6.385
G56H-N    		108.832		 7.286
L57H-N    		119.059		 7.505
T58H-N    		110.118		 7.973
Q59H-N    		120.563		 8.841
Q59HE21-NE2		111.613		 7.567
Q59HE22-NE2		111.613		 6.843
S61H-N    		116.718		 7.628
V62H-N    		122.855		  8.45
S63H-N    		115.838		 8.152
D64H-N    		121.374		 7.571
L65H-N    		119.395		 7.536
L66H-N    		109.251		 7.767
S67H-N    		111.899		 7.918
R68H-N    		121.12		 8.073
K70H-N    		123.129		 8.161
W72H-N    		122.913		 9.222
W72HE1-NE1		131.542		10.633
H73H-N    		111.644		 8.546
K74H-N    		118.258		  7.61
L75H-N    		120.852		 7.164
S76H-N    		117.653		 8.374
L77H-N    		120.009		 8.508
K78H-N    		118.144		 8.201
G79H-N    		109.446		 8.112
R80H-N    		118.024		 7.878
E81H-N    		118.76		 7.488
F83H-N    		114.836		 6.982
V84H-N    		120.841		 7.993
R85H-N    		117.681		 8.376
R85HE-NE  		84.733		 7.789
M86H-N    		118.656		 8.451
Q87H-N    		120.611		 8.283
Q87HE21-NE2		111.296		 7.243
Q87HE22-NE2		111.296		 6.568
L88H-N    		118.784		 8.364
W89H-N    		121.383		 8.185
W89HE1-NE1		130.17		10.215
L90H-N    		119.064		 8.749
N91H-N    		115.142		 7.422
N91HD21-ND2		110.746		 7.599
N91HD22-ND2		110.746		 6.887
D92H-N    		122.245		 7.202
H94H-N    		117.01		 8.405
N95H-N    		119.585		 7.784
N95HD21-ND2		109.658		 6.296
N95HD22-ND2		109.658		  6.12
V96H-N    		123.74		 8.584
E97H-N    		120.852		 8.059
K98H-N    		116.325		 8.139
L99H-N    		119.731		 7.639
R100H-N   		119.296		 8.482
D101H-N   		118.835		 7.963
M102H-N   		119.282		 7.771
K103H-N   		120.954		 8.046
K104H-N   		120.374		 7.962
L105H-N   		121.326		 8.013
S106H-N   		115.508		 8.077
G107H-N   		110.419		  8.14
S109H-N   		116.284		 8.536