Assignment w1 w2 L2H-N 124.072 8.683 A4H-N 124.832 8.517 S5H-N 114.124 8.234 A6H-N 125.912 8.173 A7H-N 122.823 8.091 K8H-N 119.619 8.149 N9H-N 118.218 8.166 N9HD21-ND2 112.799 7.628 N9HD22-ND2 112.799 6.945 A10H-N 123.873 7.996 K11H-N 120.135 7.867 A13H-N 118.034 9.138 T14H-N 137.116 6.679 S15H-N 117.471 7.446 A16H-N 101.269 9.711 A17H-N 120.976 7.672 F18H-N 122.588 7.966 A19H-N 121.097 7.776 K20H-N 116.689 7.401 Q21H-N 120.806 7.791 Q21HE21-NE2 109.565 7.399 Q21HE22-NE2 109.565 6.573 A22H-N 118.242 7.818 E23H-N 120.353 7.459 G24H-N 110.096 8.487 T25H-N 112.895 7.719 C27H-N 121.274 8.483 N28H-N 125.373 8.632 N28HD21-ND2 114.194 7.791 N28HD22-ND2 114.194 7.1 I32H-N 115.138 8.236 A33H-N 129.673 9.172 C34H-N 113.858 7.933 C35H-N 118.605 9.428 N36H-N 121.706 8.357 S37H-N 116.566 8.928 A39H-N 118.766 8.168 E40H-N 115.698 7.417 T41H-N 119.642 8.317 N42H-N 117.108 8.165 N42HD21-ND2 112.544 7.535 N42HD22-ND2 112.544 6.858 N43H-N 114.601 7.487 N43HD21-ND2 111.293 7.509 N43HD22-ND2 111.293 6.787 D44H-N 121.583 7.699 S45H-N 123.695 9.003 L46H-N 124.738 8.04 L47H-N 119.264 8.904 S48H-N 111.723 8.455 G49H-N 112.111 8.106 L50H-N 122.626 8.531 L51H-N 121.198 8.371 G52H-N 108.426 8.383 A53H-N 120.197 7.621 G54H-N 106.795 7.997 L55H-N 118.766 7.918 L56H-N 114.293 6.986 N57H-N 118.025 8.099 N57HD21-ND2 111.635 7.283 N57HD22-ND2 111.635 6.892 G58H-N 105.975 8.198 L59H-N 120.054 7.972 S60H-N 122.201 9.043 G61H-N 115.271 9.019 N62H-N 120.38 7.891 N62HD21-ND2 110.355 6.989 N62HD22-ND2 110.355 6.892 T63H-N 121.28 8.695 G64H-N 115.256 8.952 S65H-N 114.864 7.663 A66H-N 122.216 7.611 C67H-N 117.089 8.693 A68H-N 121.214 8.793 K69H-N 121.646 8.774 A70H-N 124.172 8.366 S71H-N 109.573 8.656 L72H-N 125.089 7.006 I73H-N 120.677 8.07 D74H-N 118.007 8.102 Q75H-N 119.9 7.936 Q75HE21-NE2 110.243 7.387 Q75HE22-NE2 110.243 6.724 L76H-N 114.404 8.347 G77H-N 109.693 7.79 L78H-N 119.747 7.585 L79H-N 122.111 8.034 A80H-N 120.085 8.877 L81H-N 113.168 7.489 V82H-N 116.754 7.808 D83H-N 121.419 8.711 H84H-N 119.499 8.85 T85H-N 114.305 7.227 E86H-N 121.198 9.235 E87H-N 116.046 7.891 G88H-N 108.655 7.388 V90H-N 111.498 8.228 C91H-N 118.846 9.69 K92H-N 125.78 8.767 N93H-N 115.657 9.191 N93HD21-ND2 114.513 7.604 N93HD22-ND2 114.513 7.159 I94H-N 121.711 7.588 V95H-N 127.897 8.405 A96H-N 129.96 9.28 C97H-N 117.84 9.05 C98H-N 127.652 9.135 E100H-N 121.611 8.565 G101H-N 111.184 8.782 T102H-N 111.702 7.692 T103H-N 114.111 8.108 N104H-N 118.368 7.942 N104HD21-ND2 112.319 7.42 N104HD22-ND2 112.319 6.883 C105H-N 119.096 8.622 V106H-N 118.666 8.713 A107H-N 129.905 8.887 V108H-N 118.702 8.49 D109H-N 122.907 8.4 N110H-N 120.059 8.447 N110HD21-ND2 112.477 7.601 N110HD22-ND2 112.477 6.867 A111H-N 124.606 8.36 G112H-N 108.057 8.391 A113H-N 123.908 8.126 G114H-N 108.093 8.421 T115H-N 114.234 8.026 K116H-N 124.603 8.362 A117H-N 127.153 8.404 E118H-N 125.31 7.947 L2H-N 122.706 8.567 A4H-N 125.748 8.776 S5H-N 114.61 8.298 A6H-N 126.101 8.264 A7H-N 123.233 8.147 K8H-N 119.613 8.149 N9H-N 119.112 8.301 N9HD21-ND2 111.915 7.604 N9HD22-ND2 111.915 6.872 A10H-N 124.765 8.193 K11H-N 120.063 8.215 L12H-N 123.024 8.08 A13H-N 124.96 8.288 T14H-N 112.719 8.031 S15H-N 117.766 8.23 A16H-N 126.31 8.333 K20H-N 121.022 8.142 Q21H-N 121.824 8.325 A22H-N 125.369 8.348 E23H-N 120.58 8.392 G24H-N 110.021 8.448 T25H-N 113.551 8.076 T26H-N 116.163 8.213 N28H-N 119.766 8.465 I32H-N 115.138 8.236 A33H-N 129.673 9.172 C34H-N 113.858 7.933 C35H-N 118.605 9.428 N36H-N 121.706 8.357 S37H-N 116.566 8.928 A39H-N 123.552 8.293 E40H-N 119.414 8.299 T41H-N 114.842 8.151 N42H-N 120.638 8.446 N43H-N 119.666 8.446 D44H-N 120.844 8.381 S45H-N 116.424 8.288 L46H-N 123.555 8.128 L47H-N 120.64 8.052 S48H-N 114.933 8.08 G49H-N 110.398 8.25 L50H-N 121.609 7.978 L51H-N 121.25 8.166 G52H-N 109.031 8.25 G54H-N 107.879 8.346 L55H-N 121.352 8.047 N57H-N 118.666 8.279 G58H-N 108.758 8.31 L59H-N 121.12 7.942 S60H-N 115.825 8.267 G61H-N 110.466 8.371 N62H-N 118.93 8.352 N62HD21-ND2 111.311 7.629 N62HD22-ND2 111.311 6.859 T63H-N 113.92 8.201 G64H-N 111.048 8.459 S65H-N 115.946 8.199 A66H-N 126.109 8.213 C67H-N 118.546 7.945 A68H-N 124.809 8.04 K69H-N 120.838 8.463 A70H-N 124.172 8.366 S71H-N 109.573 8.656 L72H-N 125.089 7.006 I73H-N 120.677 8.07 D74H-N 118.007 8.102 Q75H-N 119.9 7.936 Q75HE21-NE2 110.243 7.387 Q75HE22-NE2 110.243 6.724 L76H-N 114.404 8.347 G77H-N 109.693 7.79 L78H-N 119.747 7.585 L79H-N 122.111 8.034 A80H-N 120.085 8.877 L81H-N 113.168 7.489 V82H-N 116.754 7.808 D83H-N 121.419 8.711 H84H-N 119.499 8.85 T85H-N 114.305 7.227 E86H-N 121.198 9.235 E87H-N 116.046 7.891 G88H-N 108.655 7.388 V90H-N 111.498 8.228 C91H-N 118.846 9.69 K92H-N 125.78 8.767 N93H-N 115.657 9.191 N93HD21-ND2 114.513 7.604 N93HD22-ND2 114.513 7.159 I94H-N 121.711 7.588 V95H-N 127.897 8.405 A96H-N 129.96 9.28 C97H-N 117.84 9.05 C98H-N 127.652 9.135 E100H-N 121.611 8.565 G101H-N 111.184 8.782 T102H-N 111.702 7.692 T103H-N 114.111 8.108 N104H-N 118.368 7.942 N104HD21-ND2 112.319 7.42 N104HD22-ND2 112.319 6.883 C105H-N 119.096 8.622 V106H-N 118.666 8.713 A107H-N 129.905 8.887 V108H-N 118.702 8.49 D109H-N 122.907 8.4 N110H-N 120.059 8.447 N110HD21-ND2 112.477 7.601 N110HD22-ND2 112.477 6.867 A111H-N 124.606 8.36 G112H-N 108.057 8.391 A113H-N 123.908 8.126 G114H-N 108.093 8.421 T115H-N 114.234 8.026 K116H-N 124.603 8.362 A117H-N 127.153 8.404 E118H-N 125.31 7.947