Assignment w1 w2 A5H-N 125.998 8.293 V6H-N 119.343 8.009 S7H-N 120.647 8.604 T8H-N 117.537 8.444 E9H-N 121.469 8.461 D10H-N 120.885 8.041 L11H-N 123.972 8.176 K12H-N 117.417 8.594 E13H-N 119.086 7.803 C14H-N 119.205 8.155 L15H-N 121.589 8.793 K16H-N 120.874 8.553 K17H-N 117.179 7.901 Q18H-N 118.728 7.887 L19H-N 120.635 8.815 E20H-N 117.775 8.265 F21H-N 119.086 7.791 C22H-N 118.848 8.34 F23H-N 111.101 7.396 R25H-N 124.33 8.913 E26H-N 118.013 8.963 N27H-N 116.822 7.348 N27HD21-ND2 116.596 6.885 N27HD22-ND2 116.596 7.765 L28H-N 120.17 8.515 S29H-N 108.36 7.473 K30H-N 118.252 7.188 D31H-N 121.946 7.79 L32H-N 123.376 7.955 Y33H-N 120.516 8.254 L34H-N 121.361 8.161 I35H-N 116.406 8.107 S36H-N 115.034 7.768 Q37H-N 119.205 7.283 M38H-N 119.086 7.169 D39H-N 123.138 8.641 S40H-N 113.604 8.398 D41H-N 122.185 8.445 Q42H-N 109.194 7.946 F43H-N 115.153 8.284 I44H-N 121.838 9.41 I46H-N 126.841 8.804 W47H-N 118.371 8.271 W47HE1-NE1 130.198 10.29 T48H-N 115.749 6.897 V49H-N 122.542 7.061 A50H-N 118.49 8.388 N51H-N 110.386 6.999 M52H-N 121.231 7.479 E53H-N 126.117 9.007 E54H-N 114.438 9.498 I55H-N 116.702 7.127 K56H-N 120.635 8.276 K57H-N 114.319 7.208 L58H-N 118.848 7.617 T59H-N 111.816 8.132 T60H-N 113.842 7.994 D61H-N 126.833 8.657 D63H-N 119.217 7.94 L64H-N 123.972 7.291 I65H-N 117.417 7.289 L66H-N 119.086 7.805 E67H-N 118.848 7.859 V68H-N 118.555 8.142 L69H-N 121.6 8.591 R70H-N 115.63 8.398 S71H-N 112.65 7.457 S72H-N 117.795 7.301 M74H-N 116.345 8.005 V75H-N 110.386 7.342 Q76H-N 120.159 8.901 V77H-N 127.794 9.08 D78H-N 127.309 8.599 E79H-N 120.754 8.767 K80H-N 114.676 7.569 G81H-N 109.449 7.858 E82H-N 117.549 9.352 K83H-N 120.754 8.398 V84H-N 117.788 9.384 R85H-N 124.459 8.806 I92H-N 123.496 8.263 V93H-N 125.045 9.248 I94H-N 127.794 9.274 L95H-N 126.786 9.233 R96H-N 120.275 8.405 E97H-N 112.412 8.323 I98H-N 120.923 8.402 E100H-N 124.661 9.292 T101H-N 104.069 6.952 T102H-N 123.301 7.819 I104H-N 126.603 8.796 E105H-N 118.502 9.078 E106H-N 119.205 7.603 V107H-N 119.694 6.827 K108H-N 116.702 8.424 G109H-N 106.114 7.734 L110H-N 121.123 7.271 F111H-N 113.499 7.347 K112H-N 121.6 7.097 S113H-N 118.728 7.639 E114H-N 126.719 9.067 N115H-N 115.643 8.399 C116H-N 120.647 7.229 K118H-N 119.694 8.275 V119H-N 123.615 8.016 I120H-N 126.117 8.358 S121H-N 111.355 7.05 C122H-N 123.019 8.508 E123H-N 124.211 8.719 F124H-N 126.237 8.607 A125H-N 131.361 7.658 S128H-N 108.496 7.942 N129H-N 115.868 7.502 W130H-N 120.874 9.226 W130HE1-NE1 130.577 9.42 Y131H-N 121.123 9.332 I132H-N 129.756 9.672 T133H-N 121.361 8.415 F134H-N 123.029 8.842 Q135H-N 118.967 10.118 S136H-N 107.543 7.406 D137H-N 122.822 9.12 T138H-N 115.391 8.073 D139H-N 123.982 7.839 A140H-N 121.78 7.737 Q141H-N 115.987 8.036 Q142H-N 120.754 8.028 A143H-N 123.496 8.406 F144H-N 118.967 8.402 K145H-N 119.92 7.827 Y146H-N 120.993 8.177 L147H-N 121.361 8.516 R148H-N 115.749 7.608 E149H-N 114.319 8.528 E150H-N 116.856 7.986 V151H-N 120.397 7.036 K152H-N 112.174 8.333 T153H-N 114.676 9.038 F154H-N 118.979 8.874 Q155H-N 125.76 9.009 G156H-N 102.878 8.471 K157H-N 120.874 7.59 I159H-N 123.744 7.804 M160H-N 131.628 9.715 A161H-N 124.935 8.266 R162H-N 118.252 8.805 I163H-N 122.076 8.286 K164H-N 128.747 8.682 A165H-N 128.143 8.381 I166H-N 120.278 8.313 F170H-N 120.919 7.965 A171H-N 124.806 7.935 K172H-N 119.966 8.126 G174H-N 108.479 8.065 Y175H-N 119.563 7.89 R176H-N 122.304 8.025 L177H-N 123.138 8.137 M178H-N 121.038 8.172 D179H-N 126.995 7.824