Assignment w1 w2 C3H-N 121.646 8.227 S4H-N 119.596 8.656 V6H-N 120.915 8.135 H7H-N 125.141 8.441 Q9H-N 115.857 8.905 Q9HE21-NE2 112.46 7.304 Q9HE22-NE2 112.46 7.0 Q10H-N 117.843 7.299 Q10HE21-NE2 112.273 7.434 Q10HE22-NE2 112.273 6.792 A11H-N 122.05 7.893 F12H-N 115.983 8.089 C13H-N 114.795 7.779 N14H-N 116.019 8.005 N14HD21-ND2 111.631 7.521 N14HD22-ND2 111.631 6.913 A15H-N 122.859 7.411 D16H-N 121.209 7.9 V17H-N 116.075 7.881 V18H-N 125.687 8.963 I19H-N 120.51 9.293 R20H-N 123.103 8.853 R20HE-NE 108.32 5.525 T21H-N 123.058 9.524 K22H-N 122.963 7.89 A23H-N 127.503 9.908 V24H-N 115.857 8.953 S25H-N 113.235 7.844 E26H-N 121.113 8.65 K27H-N 121.755 8.351 E28H-N 123.388 8.533 V29H-N 120.088 9.085 D30H-N 122.629 8.34 S31H-N 119.132 8.664 G32H-N 109.97 8.032 N33H-N 116.366 8.204 N33HD21-ND2 111.092 7.116 N33HD22-ND2 111.092 6.614 D34H-N 121.073 8.943 I35H-N 113.672 7.738 Y36H-N 120.589 7.826 G37H-N 107.423 8.07 N38H-N 121.497 8.608 N38HD21-ND2 117.505 8.495 N38HD22-ND2 117.505 7.053 I40H-N 124.595 8.513 K41H-N 125.975 8.211 R42H-N 118.5 8.725 I43H-N 120.824 8.8 Q44H-N 125.687 8.998 Q44HE21-NE2 111.943 7.314 Q44HE22-NE2 111.943 6.667 Y45H-N 128.068 9.776 E46H-N 126.015 8.167 I47H-N 118.588 7.687 K48H-N 118.663 8.314 Q49H-N 130.165 9.261 Q49HE21-NE2 110.756 6.543 Q49HE22-NE2 110.756 7.189 I50H-N 130.565 8.587 K51H-N 116.745 7.303 M52H-N 126.787 8.779 F53H-N 126.618 8.664 K54H-N 118.817 7.7 G55H-N 113.507 8.445 E57H-N 115.638 8.146 K58H-N 118.81 7.26 D59H-N 123.066 8.017 I60H-N 119.602 8.304 E61H-N 124.595 8.824 F62H-N 115.233 7.742 I63H-N 118.899 8.741 Y64H-N 125.263 9.171 T65H-N 113.672 8.858 A66H-N 127.328 8.251 V71H-N 109.303 7.09 C72H-N 111.706 8.007 G73H-N 109.988 8.578 V74H-N 118.806 7.557 S75H-N 121.107 8.283 L76H-N 123.85 7.332 D77H-N 120.915 8.147 V78H-N 122.941 8.184 G79H-N 111.116 8.612 G80H-N 108.307 8.439 K81H-N 118.903 8.17 K82H-N 119.883 7.672 E83H-N 121.946 8.185 Y84H-N 119.476 9.454 L85H-N 124.018 9.484 I86H-N 124.704 9.104 A87H-N 130.768 8.643 G88H-N 106.463 8.509 K89H-N 121.28 8.028 A90H-N 127.763 10.111 E91H-N 122.607 8.125 G92H-N 108.68 7.874 D93H-N 118.915 8.448 G94H-N 109.929 9.327 K95H-N 118.712 7.892 M96H-N 119.352 8.417 H97H-N 120.335 9.149 I98H-N 114.874 8.425 T99H-N 116.949 9.921 L100H-N 118.19 8.276 C101H-N 114.209 7.921 D102H-N 121.349 7.706 F103H-N 120.885 8.243 I104H-N 128.436 7.383 V105H-N 122.12 8.711 W107H-N 129.689 9.342 W107HE1-NE1 130.365 10.223 D108H-N 112.497 8.619 T109H-N 108.757 7.475 L110H-N 122.864 6.914 S111H-N 119.201 8.865 T112H-N 117.06 8.901 T113H-N 115.641 7.961 Q114H-N 122.963 7.719 Q114HE21-NE2 110.942 7.334 Q114HE22-NE2 110.942 6.811 K115H-N 118.26 8.126 K116H-N 118.255 7.902 S117H-N 114.765 7.76 L118H-N 120.663 7.232 N119H-N 113.747 7.452 N119HD21-ND2 113.345 7.554 N119HD22-ND2 113.345 6.932 H120H-N 117.204 7.792 R121H-N 120.885 8.24 Y122H-N 118.815 8.194 Q123H-N 119.825 8.115 Q123HE21-NE2 111.212 7.361 Q123HE22-NE2 111.212 6.762 M124H-N 117.386 7.808 G125H-N 107.556 8.042 C126H-N 118.211 8.04 E127H-N 126.452 8.016