Assignment w1 w2 C3H-N 116.251 7.994 S5H-N 106.471 6.957 T7H-N 115.026 8.192 W8H-N 121.434 7.586 W8HE1-NE1 132.468 10.572 I9H-N 121.995 9.896 Q10H-N 129.042 8.981 Q10HE21-NE2 111.242 7.279 Q10HE22-NE2 111.242 7.199 F11H-N 126.138 8.808 Q12H-N 124.691 8.556 Q12HE21-NE2 110.037 7.011 Q12HE22-NE2 110.037 6.71 S14H-N 114.624 8.22 C15H-N 118.624 8.805 Y16H-N 122.0 10.066 I17H-N 119.904 8.516 F18H-N 126.863 7.147 L19H-N 128.128 8.72 Q20H-N 124.006 8.468 Q20HE21-NE2 112.159 7.572 Q20HE22-NE2 112.159 6.919 E21H-N 121.368 7.714 A22H-N 126.771 8.378 I23H-N 119.5 7.9 K24H-N 124.975 8.277 V25H-N 121.13 8.133 E26H-N 121.8 9.345 S27H-N 113.336 8.06 I28H-N 122.14 9.236 E29H-N 122.311 8.352 D30H-N 117.532 7.665 V31H-N 119.697 7.266 R32H-N 120.98 8.242 R32HE-NE 87.213 8.961 N33H-N 116.59 8.279 N33HD21-ND2 111.677 7.614 N33HD22-ND2 111.677 6.782 Q34H-N 117.611 7.535 Q34HE21-NE2 111.156 7.442 Q34HE22-NE2 111.156 6.897 C35H-N 113.913 7.395 T36H-N 119.181 8.902 D37H-N 124.495 8.466 H38H-N 115.366 7.562 G39H-N 108.016 8.048 A40H-N 122.033 7.778 D41H-N 117.291 8.447 M42H-N 121.098 10.654 I43H-N 119.548 8.253 S44H-N 116.04 6.318 I45H-N 117.995 5.056 H46H-N 121.697 9.228 N47H-N 112.028 7.125 N47HD21-ND2 115.198 7.41 N47HD22-ND2 115.198 7.121 E48H-N 120.495 8.599 E49H-N 120.07 8.613 E50H-N 122.998 8.779 N51H-N 120.264 7.729 N51HD21-ND2 112.809 8.125 N51HD22-ND2 112.809 6.769 A52H-N 118.255 8.661 F53H-N 121.319 8.049 I54H-N 123.794 8.063 L55H-N 119.247 7.871 D56H-N 117.939 8.152 T57H-N 115.942 7.725 L58H-N 122.778 8.261 K59H-N 116.989 7.71 K60H-N 117.21 7.528 Q61H-N 117.77 7.973 Q61HE21-NE2 110.723 7.277 Q61HE22-NE2 110.723 6.647 W62H-N 120.07 8.015 W62HE1-NE1 129.886 10.419 K63H-N 120.105 7.859 G64H-N 107.891 7.675 D66H-N 116.689 8.298 D67H-N 117.232 7.672 I68H-N 118.656 8.631 L69H-N 127.871 8.705 L70H-N 121.608 8.533 G71H-N 109.161 8.246 M72H-N 124.962 8.232 F73H-N 118.962 8.76 Y74H-N 122.512 9.228 D75H-N 130.029 8.085 T76H-N 117.21 8.262 D77H-N 122.662 8.374 D78H-N 117.032 7.343 A79H-N 123.663 7.78 S80H-N 109.766 7.042 F81H-N 121.019 8.502 K82H-N 119.33 8.493 W83H-N 119.8 8.593 W83HE1-NE1 130.152 10.475 F84H-N 124.276 9.15 D85H-N 114.713 8.425 N86H-N 112.518 8.181 N86HD21-ND2 112.474 7.581 N86HD22-ND2 112.474 6.913 S87H-N 116.257 8.54 N88H-N 117.757 8.703 N88HD21-ND2 112.94 7.643 N88HD22-ND2 112.94 7.065 M89H-N 124.162 9.041 F91H-N 123.975 8.118 D92H-N 120.156 6.775 K93H-N 115.787 2.74 W94H-N 121.829 8.247 W94HE1-NE1 127.904 10.011 T95H-N 116.497 8.869 D96H-N 123.39 8.384 Q97H-N 121.491 8.225 Q97HE21-NE2 112.547 7.72 Q97HE22-NE2 112.547 7.01 D98H-N 122.053 8.335 D99H-N 120.903 8.33 D100H-N 120.782 8.26 E101H-N 120.784 8.176 D102H-N 121.186 8.272 L103H-N 122.747 7.854 V104H-N 119.413 7.967 D105H-N 121.368 8.196 T106H-N 113.621 7.793 C107H-N 123.527 8.948 A108H-N 122.907 9.183 F109H-N 117.735 9.281 L110H-N 123.964 9.311 H111H-N 128.841 9.248 I112H-N 127.885 8.34 K113H-N 115.896 7.951 T114H-N 101.852 6.965 G115H-N 112.055 8.817 E116H-N 115.601 7.558 W117H-N 120.435 8.389 W117HE1-NE1 128.341 10.483 K118H-N 121.237 9.619 K119H-N 123.008 9.136 G120H-N 108.72 9.027 N121H-N 119.095 8.577 N121HD21-ND2 113.194 7.749 N121HD22-ND2 113.194 7.065 C122H-N 119.578 8.878 E123H-N 122.091 8.265 V124H-N 119.025 8.081 S125H-N 115.815 8.507 S126H-N 116.529 8.285 V127H-N 119.219 8.062 E128H-N 124.048 8.75 G129H-N 107.813 7.529 T130H-N 118.111 7.976 L131H-N 128.051 8.746 C132H-N 121.008 8.766 K133H-N 121.674 9.216 T134H-N 120.29 9.07 A135H-N 128.0 8.137 I136H-N 121.557 7.952 Y138H-N 120.116 7.827 K139H-N 123.949 8.029 R140H-N 128.524 7.852 R140HE-NE 85.265 7.15