Assignment w1 w2 C26H-N 117.312 8.624 K27H-N 123.138 8.062 M28H-N 124.102 9.653 F29H-N 125.524 8.941 I30H-N 126.386 7.969 G31H-N 111.128 7.639 G32H-N 107.703 7.25 L33H-N 114.284 7.42 S34H-N 114.825 9.232 W35H-N 131.115 9.004 W35HE1-NE1 128.569 9.649 Q36H-N 116.251 8.208 Q36HE21-NE2 111.914 6.83 Q36HE22-NE2 111.914 7.402 T37H-N 118.865 7.501 T38H-N 119.034 8.824 Q39H-N 119.541 9.109 Q39HE21-NE2 111.53 7.689 Q39HE22-NE2 111.53 6.97 E40H-N 120.001 8.719 G41H-N 110.658 8.123 L42H-N 122.511 8.347 R43H-N 120.815 8.141 R43HE-NE 84.138 7.582 E44H-N 119.629 8.192 Y45H-N 118.529 7.983 F46H-N 114.682 8.719 G47H-N 108.005 8.373 Q48H-N 115.901 6.986 Q48HE21-NE2 111.762 6.357 Q48HE22-NE2 111.762 6.893 F49H-N 117.408 7.989 G50H-N 105.015 7.46 E51H-N 118.048 8.448 V52H-N 128.204 9.017 K53H-N 127.97 9.064 E54H-N 116.151 7.532 C55H-N 123.665 8.713 L56H-N 124.505 8.923 V57H-N 121.363 8.294 M58H-N 125.245 7.748 R59H-N 120.507 8.466 D60H-N 125.644 8.681 L62H-N 118.051 8.37 T63H-N 108.049 8.11 K64H-N 114.534 8.103 R65H-N 120.828 7.785 S66H-N 117.147 8.626 R67H-N 122.998 8.732 R67HE-NE 83.468 7.639 G68H-N 106.324 9.168 F69H-N 111.763 7.051 G70H-N 105.758 7.605 F71H-N 114.125 8.757 V72H-N 120.594 8.651 T73H-N 123.028 8.79 F74H-N 127.625 8.97 M75H-N 117.767 8.578 D76H-N 115.14 8.41 Q77H-N 120.252 8.404 Q77HE21-NE2 112.529 6.593 Q77HE22-NE2 112.529 7.858 A78H-N 121.271 8.413 G79H-N 103.819 7.648 V80H-N 119.78 6.276 D81H-N 117.767 8.003 K82H-N 119.667 7.918 V83H-N 120.652 7.784 L84H-N 116.747 8.146 A85H-N 119.454 7.509 Q86H-N 120.235 7.391 Q86HE21-NE2 112.518 6.956 Q86HE22-NE2 112.518 7.45 S87H-N 120.139 8.462 R88H-N 120.125 7.608 R88HE-NE 84.76 7.281 H89H-N 126.33 9.312 E90H-N 123.469 8.257 L91H-N 124.155 8.531 D92H-N 128.074 9.52 S93H-N 105.782 8.728 K94H-N 120.766 7.458 T95H-N 120.041 8.499 I96H-N 121.618 8.089 D97H-N 117.312 8.228 K99H-N 121.514 9.671 V100H-N 122.134 9.0 A101H-N 128.424 8.412 F102H-N 124.188 9.442 R104H-N 120.828 8.397 R105H-N 123.751 8.63 A106H-N 126.219 8.462 Q107H-N 121.285 8.353 Q107HE21-NE2 112.292 6.866 Q107HE22-NE2 112.292 7.529 K109H-N 126.368 7.907