Assignment w1 w2 F2H-N 119.098 8.153 D3H-N 120.82 8.38 L4H-N 124.048 8.002 T5H-N 121.543 9.024 V6H-N 121.417 8.537 G7H-N 111.798 8.678 I8H-N 122.738 9.517 T9H-N 117.676 9.299 D10H-N 114.097 8.719 E12H-N 124.555 8.822 K13H-N 125.524 8.577 I14H-N 130.833 9.032 G15H-N 112.216 8.188 D16H-N 116.124 8.013 G17H-N 109.883 8.505 M18H-N 122.615 8.857 N19H-N 115.712 8.207 A20H-N 123.478 7.204 Y21H-N 117.805 8.491 V22H-N 119.789 8.156 A23H-N 129.765 8.925 Y24H-N 118.275 9.161 K25H-N 123.137 8.481 V26H-N 130.871 9.488 T27H-N 125.325 9.257 T28H-N 126.308 8.6 Q29H-N 123.002 8.292 Q29HE21-NE2 110.748 6.642 T30H-N 119.204 9.125 S31H-N 117.394 7.951 L32H-N 126.47 8.769 L34H-N 117.128 6.934 F35H-N 116.373 7.431 R36H-N 120.485 9.111 S37H-N 112.476 7.62 K38H-N 118.363 8.184 Q39H-N 117.269 7.547 F40H-N 122.557 8.136 A41H-N 120.281 8.321 V42H-N 113.757 8.563 K43H-N 120.35 8.55 R44H-N 122.629 9.295 R44HE-NE 84.95 6.437 R45H-N 121.272 9.639 F46H-N 125.07 10.369 S47H-N 112.725 9.168 D48H-N 122.727 7.962 F49H-N 120.54 8.06 L50H-N 119.049 7.362 G51H-N 106.564 8.151 L52H-N 122.956 7.583 Y53H-N 118.537 7.81 E54H-N 120.294 8.351 K55H-N 118.704 7.732 L56H-N 117.402 8.473 S57H-N 114.661 8.498 E58H-N 119.858 7.332 K59H-N 116.597 7.256 H60H-N 116.642 7.947 S61H-N 116.533 8.041 Q62H-N 120.463 8.344 N63H-N 117.335 8.149 G64H-N 108.296 8.223 F65H-N 120.273 7.763 I66H-N 121.157 7.945 V67H-N 121.11 8.44 E72H-N 121.615 8.201 K73H-N 125.693 8.024 S74H-N 115.529 8.165 L75H-N 123.476 8.067 I76H-N 119.588 7.785 G77H-N 111.714 8.298 M78H-N 119.478 8.028 T79H-N 114.319 7.985 K80H-N 122.842 8.201 V81H-N 120.304 7.899 K82H-N 124.95 8.271 V83H-N 121.417 8.08 G84H-N 112.944 8.474 K85H-N 120.768 8.157 E86H-N 121.552 8.5 D87H-N 121.659 8.235 S88H-N 117.092 8.201 S89H-N 116.237 8.245 S90H-N 118.411 8.111 A91H-N 125.313 8.641 E92H-N 118.411 8.527 F93H-N 121.565 7.885 L94H-N 118.839 8.273 E95H-N 120.056 7.917 K96H-N 119.033 7.748 R97H-N 119.956 7.8 R98H-N 120.667 8.491 A99H-N 119.225 8.345 A100H-N 120.284 7.694 L101H-N 120.327 8.489 E102H-N 121.596 8.389 R103H-N 118.017 7.905 Y104H-N 119.483 7.783 L105H-N 118.632 8.489 Q106H-N 116.87 8.367 Q106HE21-NE2 111.653 7.262 Q106HE22-NE2 111.653 6.848 R107H-N 117.228 7.546 I108H-N 117.783 7.344 V109H-N 108.74 7.887 N110H-N 115.468 7.293 N110HD21-ND2 110.722 7.409 N110HD22-ND2 110.722 6.529 H111H-N 123.486 7.637 T113H-N 120.752 7.876 M114H-N 119.943 8.082 L115H-N 120.91 8.171 Q116H-N 110.99 7.087 D117H-N 124.48 7.587 D119H-N 118.998 8.827 V120H-N 123.529 7.928 R121H-N 117.337 7.711 E122H-N 117.321 8.15 F123H-N 119.839 7.849 L124H-N 114.462 7.724 E125H-N 112.597 7.918 K126H-N 121.25 8.276 E127H-N 128.949 8.751 E128H-N 126.19 7.961