Assignment w1 w2 L8H-N 123.753 8.256 E9H-N 121.846 8.395 A10H-N 125.326 8.335 S11H-N 115.852 8.412 A12H-N 125.405 8.523 D13H-N 117.729 8.166 E14H-N 120.908 8.347 K15H-N 119.874 8.048 V16H-N 119.005 7.589 V17H-N 120.011 7.746 E18H-N 121.254 8.391 E19H-N 121.501 8.342 K20H-N 119.692 7.976 A21H-N 120.87 8.399 S22H-N 115.128 8.201 V23H-N 122.255 7.159 I24H-N 121.893 7.994 S25H-N 116.565 9.179 S26H-N 116.063 7.385 L27H-N 123.714 7.591 L28H-N 120.799 8.647 D29H-N 120.677 8.345 K30H-N 121.261 7.932 A31H-N 122.81 8.36 K32H-N 119.463 8.342 G33H-N 107.679 7.843 F34H-N 123.175 8.349 F35H-N 118.912 8.419 A36H-N 120.1 7.662 E37H-N 115.688 7.866 K38H-N 117.038 8.072 L39H-N 118.42 7.619 A40H-N 122.489 7.617 N41H-N 113.635 8.427 N41HD21-ND2 113.173 7.536 N41HD22-ND2 113.173 6.876 I42H-N 120.963 7.454 T44H-N 115.525 8.702 E46H-N 121.793 8.036 A47H-N 128.836 9.113 T48H-N 114.066 8.738 V49H-N 123.864 8.794 D50H-N 130.494 8.954 D51H-N 114.995 7.503 V52H-N 121.671 8.056 D53H-N 124.613 8.699 F54H-N 124.437 8.975 K55H-N 127.399 8.369 G56H-N 105.669 6.377 V57H-N 116.952 8.371 T58H-N 117.045 8.557 R59H-N 118.005 8.627 D60H-N 114.526 8.047 G61H-N 108.624 7.864 V62H-N 122.005 9.256 D63H-N 126.844 8.909 Y64H-N 121.887 8.763 H65H-N 118.91 9.274 A66H-N 127.554 9.0 K67H-N 124.588 8.513 V68H-N 126.781 8.947 S69H-N 124.34 8.862 V70H-N 124.108 9.301 K71H-N 129.012 9.22 N72H-N 122.706 8.384 N72HD21-ND2 109.198 7.082 N72HD22-ND2 109.198 6.433 Y74H-N 121.441 7.834 S75H-N 116.33 8.786 Q76H-N 119.916 7.999 Q76HE21-NE2 112.014 6.9 Q76HE22-NE2 112.014 7.596 S77H-N 115.261 8.271 I78H-N 124.695 7.758 I80H-N 122.452 8.515 C81H-N 126.438 8.971 Q82H-N 113.009 7.356 Q82HE21-NE2 111.206 7.264 Q82HE22-NE2 111.206 6.681 I83H-N 122.714 8.425 S84H-N 123.134 9.224 Y85H-N 117.498 8.733 I86H-N 118.392 9.058 L87H-N 130.089 9.337 K88H-N 127.429 9.546 S89H-N 113.607 8.797 A90H-N 131.882 9.529 T91H-N 109.311 8.279 R92H-N 123.477 8.202 T93H-N 122.844 9.162 I94H-N 120.05 8.974 A95H-N 120.606 8.057 S96H-N 114.641 8.479 G97H-N 106.635 6.967 T98H-N 110.571 8.101 I99H-N 126.371 9.507 D101H-N 116.747 8.077 G103H-N 106.109 7.577 S104H-N 114.419 8.279 L105H-N 120.985 9.408 V106H-N 120.611 7.628 G107H-N 114.867 8.858 S108H-N 116.517 8.888 G109H-N 104.464 7.117 T110H-N 121.785 8.967 T111H-N 126.164 9.264 V112H-N 128.039 8.891 L113H-N 129.738 9.635 D114H-N 122.916 8.539 V115H-N 125.988 9.077 V117H-N 124.247 8.403 K118H-N 127.073 7.555 V119H-N 128.0 9.33 A120H-N 131.752 9.559 Y121H-N 124.314 8.262 S122H-N 111.919 9.162 I123H-N 124.121 6.921 A124H-N 124.707 8.489 V125H-N 114.252 8.252 S126H-N 114.979 7.259 L127H-N 122.105 7.562 M128H-N 117.213 7.26 K129H-N 121.949 6.42 D130H-N 117.085 7.738 M131H-N 121.685 8.606 C132H-N 116.025 8.41 T133H-N 116.137 7.839 D134H-N 120.597 8.006 W135H-N 121.931 8.767 W135HE1-NE1 129.32 10.052 D136H-N 124.739 7.772 I137H-N 116.879 9.113 D138H-N 121.22 8.248 Y139H-N 118.177 8.684 Q140H-N 120.517 8.815 Q140HE21-NE2 114.045 8.06 Q140HE22-NE2 114.045 6.76 L141H-N 129.073 9.011 D142H-N 127.276 9.005 I143H-N 121.472 9.211 G144H-N 111.999 9.214 L145H-N 127.494 8.525 T146H-N 121.163 8.384 F147H-N 126.074 9.276 D148H-N 120.51 7.648 I149H-N 122.135 8.207 V151H-N 120.242 8.964 V152H-N 120.447 8.847 G153H-N 110.854 8.179 D154H-N 122.562 8.183 I155H-N 120.831 9.076 T156H-N 121.131 8.57 I157H-N 127.798 9.334 V159H-N 121.633 9.306 S160H-N 120.198 8.618 T161H-N 117.007 8.917 Q162H-N 120.437 8.058 Q162HE21-NE2 111.795 7.493 Q162HE22-NE2 111.795 6.735 G163H-N 107.255 6.793 E164H-N 124.225 8.632 I165H-N 119.507 9.137 K166H-N 122.634 8.239 L167H-N 132.168 9.432 S169H-N 109.04 8.181 L170H-N 127.412 8.436 R171H-N 119.755 7.816 D172H-N 117.602 8.504 F173H-N 118.482 7.876 F174H-N 125.338 7.443