Assignment w1 w2 D9H-N 118.905 8.323 Y10H-N 118.814 7.935 D11H-N 121.406 8.245 I12H-N 122.097 7.898 T14H-N 116.926 8.116 T15H-N 123.201 8.102 E16H-N 122.454 8.361 N17H-N 118.814 8.336 N17HD21-ND2 112.968 7.598 N17HD22-ND2 112.968 7.264 L18H-N 122.183 8.065 Y19H-N 119.325 8.017 E20H-N 120.801 7.953 G22H-N 107.931 7.883 S23H-N 116.396 8.181 L24H-N 121.799 8.276 N25H-N 119.752 8.477 N25HD21-ND2 112.279 7.97 N25HD22-ND2 112.279 6.832 L26H-N 119.851 8.449 E27H-N 120.715 8.607 R28H-N 118.642 7.883 D29H-N 120.931 8.049 V30H-N 118.901 8.497 Q31H-N 116.223 7.726 Q31HE21-NE2 111.505 7.62 Q31HE22-NE2 111.505 6.762 R32H-N 119.937 8.495 I33H-N 119.765 8.577 L34H-N 118.728 8.006 E35H-N 120.715 7.96 L36H-N 119.246 8.703 M37H-N 116.482 8.804 E38H-N 119.246 7.535 H39H-N 117.087 7.747 V40H-N 119.074 8.382 Q41H-N 120.887 8.346 Q41HE21-NE2 108.838 6.862 Q41HE22-NE2 108.838 6.767 K42H-N 116.482 7.554 T43H-N 107.672 7.623 G44H-N 107.659 7.626 E45H-N 118.728 7.973 V46H-N 113.805 7.816 N47H-N 120.196 8.651 N47HD21-ND2 111.419 7.965 N47HD22-ND2 111.419 7.072 A49H-N 123.565 8.268 K50H-N 115.791 7.7 L51H-N 120.11 7.084 A52H-N 121.492 8.384 S53H-N 111.386 7.726 L54H-N 120.887 7.229 Q55H-N 121.406 8.596 Q56H-N 113.805 7.92 Q56HE21-NE2 111.849 7.369 Q56HE22-NE2 111.849 6.861 V57H-N 115.1 6.912 L58H-N 117.778 7.579 Q59H-N 111.434 7.704 Q59HE21-NE2 109.87 7.325 Q59HE22-NE2 109.87 6.761 S60H-N 115.791 7.625 E61H-N 122.49 8.181 F62H-N 120.59 9.072 F63H-N 118.469 8.195 G64H-N 104.994 7.894 A65H-N 123.697 7.825 V66H-N 118.406 7.845 R67H-N 119.505 8.567 E68H-N 117.27 7.947 V69H-N 117.48 7.454 Y70H-N 123.133 8.193 E71H-N 116.012 8.579 V73H-N 120.244 7.843 Y74H-N 119.553 8.04 E75H-N 122.058 8.304 S76H-N 114.323 7.948 I77H-N 121.751 7.866 D78H-N 123.651 8.304 A79H-N 123.651 8.253 D80H-N 117.389 8.326 T81H-N 112.854 7.891 T82H-N 117.074 8.077 E84H-N 118.814 8.554 I85H-N 121.319 7.875 K86H-N 123.911 8.178 A87H-N 122.945 8.157 A89H-N 122.183 7.989 S101H-N 113.398 8.415 D102H-N 121.916 8.209 A103H-N 118.776 8.37 V104H-N 117.908 9.471 Q105H-N 119.592 7.757 R106H-N 117.605 8.581 A107H-N 122.153 8.583 K108H-N 119.505 8.605 E109H-N 117.691 8.376 V110H-N 120.283 7.535 L111H-N 120.196 8.495 E112H-N 119.333 8.201 E113H-N 118.901 7.581 I114H-N 109.227 8.434 S115H-N 117.26 7.814 C116H-N 116.223 7.359 Y117H-N 117.864 7.127 E119H-N 117.173 8.717 N120H-N 119.851 7.484 N120HD21-ND2 113.14 7.904 N120HD22-ND2 113.14 7.273 N121H-N 123.647 7.904 D122H-N 120.54 8.12 A123H-N 122.183 8.217 K124H-N 117.447 8.192 E125H-N 121.406 7.802 L126H-N 120.542 8.176 K127H-N 116.655 8.039 R128H-N 120.024 7.782 I129H-N 116.569 8.006 L130H-N 115.532 7.868 T131H-N 121.027 7.113 Q132H-N 124.083 7.325 Q132HE21-NE2 111.935 7.475 Q132HE22-NE2 111.935 6.918 H134H-N 112.71 8.128 F135H-N 123.22 7.191 M136H-N 121.002 8.136 A137H-N 121.698 8.091 L138H-N 123.392 7.279 L139H-N 117.778 7.569 Q140H-N 117.135 8.145 Q140HE21-NE2 109.354 7.481 Q140HE22-NE2 109.354 6.936 T141H-N 120.762 7.902 H142H-N 117.998 8.016 D143H-N 120.367 7.865 V144H-N 118.171 8.039 V145H-N 119.467 8.582 A146H-N 119.851 8.434 H147H-N 112.768 7.978 E148H-N 117.528 7.915 V149H-N 115.463 8.157 Y150H-N 117.7 7.698 S151H-N 122.058 7.865 D152H-N 122.529 8.185 E153H-N 122.183 8.469 A154H-N 122.356 8.123 L155H-N 118.037 7.784 R156H-N 120.456 7.854 V157H-N 120.369 7.978 T158H-N 121.146 8.246 T162H-N 114.001 8.217 S163H-N 116.815 7.971