Assignment w1 w2 N4H-N 118.22 8.266 S5H-N 115.83 8.256 V6H-N 120.437 8.105 L7H-N 117.312 7.766 R8H-N 120.125 8.312 G9H-N 109.836 8.742 K11H-N 117.625 7.796 A12H-N 120.125 6.793 D13H-N 116.375 7.383 E14H-N 118.25 7.693 L15H-N 119.187 7.324 E16H-N 110.125 6.808 R17H-N 115.437 7.354 I18H-N 122.937 7.884 R19H-N 125.75 8.076 L20H-N 120.75 7.973 R21H-N 119.812 9.063 G23H-N 112.373 9.132 G24H-N 108.25 8.135 K26H-N 117.937 7.707 K27H-N 123.875 8.547 Y28H-N 117.937 8.046 R29H-N 118.875 10.228 L30H-N 122.625 9.093 K31H-N 115.75 8.149 H32H-N 119.5 8.149 I33H-N 118.875 7.84 V34H-N 121.375 7.545 W35H-N 118.875 8.002 W35HE1-NE1 129.812 10.257 A36H-N 119.812 7.899 A37H-N 118.875 8.459 N38H-N 113.562 7.707 N38HD22-ND2 112.298 6.894 K39H-N 117.625 7.589 L40H-N 117.625 7.53 D41H-N 118.875 7.987 R42H-N 118.562 7.53 F43H-N 115.75 7.545 G44H-N 107.574 7.884 L45H-N 119.5 7.059 A46H-N 124.812 7.781 E47H-N 121.062 8.592 S48H-N 112.312 7.943 L49H-N 124.5 7.855 L50H-N 111.375 7.442 E51H-N 112.937 7.368 S52H-N 110.125 7.383 K53H-N 123.25 9.004 E54H-N 118.562 9.122 G55H-N 111.375 8.444 C56H-N 119.187 8.282 Q57H-N 120.125 8.68 Q57HE21-NE2 111.182 7.592 Q57HE22-NE2 111.182 6.967 K58H-N 121.375 7.766 I59H-N 117.312 7.796 L60H-N 117.625 8.43 T61H-N 112.937 8.135 V62H-N 121.375 7.516 L63H-N 114.5 8.12 D64H-N 117.729 8.223 M66H-N 114.187 7.899 V67H-N 119.5 7.265 T69H-N 122.937 7.103 G70H-N 111.062 7.825 S71H-N 115.125 8.282 E72H-N 120.437 8.975 L74H-N 123.562 7.84 K75H-N 119.5 8.208 S76H-N 113.875 8.474 L77H-N 125.125 8.385 F78H-N 119.5 8.621 N79H-N 118.875 8.754 N79HD21-ND2 107.659 7.649 N79HD22-ND2 107.659 6.822 T80H-N 115.437 8.267 V81H-N 121.062 8.385 C82H-N 118.875 8.12 V83H-N 119.812 7.221 I84H-N 118.25 7.869 W85H-N 119.812 8.916 W85HE1-NE1 127.937 10.066 C86H-N 114.5 7.752 I87H-N 120.125 7.693 H88H-N 119.5 8.12 A89H-N 119.812 8.356 E90H-N 113.875 7.486 E91H-N 118.562 8.12 K92H-N 124.5 8.385 V93H-N 117.937 8.223 K94H-N 118.25 9.181 D95H-N 112.625 7.486 T96H-N 110.437 7.383 E97H-N 119.187 8.194 G98H-N 106.062 7.965 A99H-N 122.625 7.516 K100H-N 117.312 8.179 Q101H-N 117.0 7.81 I102H-N 119.812 7.575 V103H-N 120.437 7.943 R104H-N 117.937 8.135 R105H-N 116.375 7.383 H106H-N 116.687 7.707 L107H-N 119.5 8.032 V108H-N 117.625 7.663 A109H-N 124.812 7.869 E110H-N 118.875 8.149 T111H-N 113.562 8.017 G112H-N 110.75 8.356 T113H-N 113.25 7.943 A114H-N 127.312 8.194 E115H-N 119.908 8.259 K116H-N 119.682 8.278 M117H-N 122.0 8.179 S119H-N 115.611 8.376 T120H-N 114.799 8.09 S121H-N 117.793 8.214 R122H-N 123.498 8.222 T124H-N 114.5 8.149 A125H-N 126.062 8.238 S127H-N 116.006 8.463 S128H-N 117.325 8.311 E129H-N 122.475 8.346 K130H-N 121.693 8.27 G131H-N 109.5 8.297 G132H-N 108.095 8.195 Y134H-N 120.152 8.0