Assignment w1 w2 Q3H-N 121.974 8.619 S4H-N 117.437 8.511 G6H-N 110.482 8.419 D7H-N 120.18 8.209 K8H-N 121.145 8.293 D9H-N 120.774 8.344 G10H-N 109.336 8.342 G11H-N 108.601 8.327 S12H-N 115.351 8.275 D13H-N 122.103 8.447 S14H-N 116.112 8.256 G15H-N 110.522 8.408 G16H-N 108.214 8.097 A17H-N 123.295 8.179 Q18H-N 119.59 8.334 G20H-N 108.641 8.069 G21H-N 107.823 8.525 S22H-N 114.582 8.333 L26H-N 116.276 7.749 K27H-N 124.709 7.846 Y29H-N 117.373 7.347 N30H-N 116.982 8.455 N30HD21-ND2 112.495 7.546 N30HD22-ND2 112.495 6.768 G31H-N 103.898 8.837 K32H-N 124.328 7.586 L33H-N 122.079 8.329 K35H-N 124.455 8.533 H36H-N 123.17 8.792 D37H-N 126.1 7.25 S39H-N 112.796 8.251 F40H-N 123.775 7.474 V41H-N 129.445 7.634 Q42H-N 131.321 7.92 N45H-N 116.256 7.761 R46H-N 125.249 6.292 H47H-N 120.057 7.654 Y48H-N 121.672 8.42 K49H-N 124.864 7.704 Y50H-N 120.172 9.808 Q51H-N 116.621 7.541 Q51HE21-NE2 112.873 7.522 Q51HE22-NE2 112.873 6.756 C52H-N 114.707 8.261 T53H-N 115.529 7.553 W54H-N 122.739 6.78 W54HE1-NE1 132.821 10.95 Y55H-N 115.986 8.026 A56H-N 120.736 7.961 Y57H-N 115.529 8.349 N58H-N 119.322 7.368 N58HD21-ND2 110.016 6.958 N58HD22-ND2 110.016 6.958 R59H-N 123.183 8.719 R59HE-NE 85.027 6.804 R60H-N 113.358 7.648 G61H-N 105.022 7.306 Q62H-N 124.406 8.899 Q62HE21-NE2 111.992 7.645 Q62HE22-NE2 111.992 7.314 L63H-N 113.579 6.604 G64H-N 106.079 7.787 I65H-N 112.08 7.748 V67H-N 113.292 8.142 L69H-N 118.481 7.972 W70H-N 128.564 7.291 W70HE1-NE1 127.399 9.187 G71H-N 106.425 8.122 D72H-N 125.381 9.121 A73H-N 121.931 8.276 A74H-N 113.087 8.201 D75H-N 113.229 8.066 W76H-N 123.002 8.807 W76HE1-NE1 128.151 10.203 I77H-N 116.086 6.633 G78H-N 107.376 8.194 G79H-N 109.831 7.601 A80H-N 124.785 7.597 K81H-N 117.78 8.162 G82H-N 105.88 7.958 A83H-N 120.584 7.789 G84H-N 105.793 7.783 Y85H-N 120.537 8.662 G86H-N 107.219 8.524 V87H-N 121.582 8.117 G88H-N 111.748 8.528 T90H-N 116.547 7.381 K92H-N 114.428 5.483 Q93H-N 125.217 8.953 Q93HE21-NE2 112.678 8.385 Q93HE22-NE2 112.678 6.697 G94H-N 114.38 8.921 A95H-N 118.114 7.722 C96H-N 115.226 8.274 V97H-N 124.412 9.095 I98H-N 125.668 8.637 W99H-N 126.104 8.875 W99HE1-NE1 129.636 10.83 Q100H-N 117.74 8.335 Q100HE21-NE2 117.096 7.784 Q100HE22-NE2 117.096 7.755 R101H-N 115.983 7.874 G102H-N 108.772 7.85 V103H-N 110.057 6.68 Q104H-N 122.116 8.591 Q104HE21-NE2 112.337 7.532 Q104HE22-NE2 112.337 6.903 G105H-N 113.169 8.372 G106H-N 105.244 8.214 S107H-N 115.503 7.125 Q109H-N 110.572 8.323 Q109HE21-NE2 111.643 7.459 Q109HE22-NE2 111.643 6.843 Y110H-N 112.556 7.053 H112H-N 121.017 8.874 V113H-N 121.944 6.141 A114H-N 126.544 9.0 F115H-N 121.723 9.767 V116H-N 125.009 8.058 E117H-N 130.157 8.66 K118H-N 113.782 8.309 V119H-N 124.402 9.277 L120H-N 126.248 8.599 D121H-N 120.55 9.232 G122H-N 105.831 8.652 G123H-N 104.961 7.685 K124H-N 117.84 7.31 K125H-N 114.48 7.829 I126H-N 110.744 8.808 F127H-N 125.126 9.051 I128H-N 120.224 8.939 S129H-N 112.679 9.381 E130H-N 116.344 8.162 N132H-N 111.579 8.645 Y133H-N 121.196 9.072 A134H-N 123.278 8.315 T135H-N 114.325 7.995 N137H-N 119.048 9.705 N137HD21-ND2 111.362 7.429 N137HD22-ND2 111.362 6.81 G138H-N 103.09 7.99 Y139H-N 124.422 8.349 G140H-N 114.736 8.068 T141H-N 104.965 7.677 R142H-N 117.419 7.982 R142HE-NE 85.454 9.181 T143H-N 116.569 8.518 I144H-N 126.876 9.305 D145H-N 126.635 9.028 M146H-N 128.339 9.216 S147H-N 113.784 9.022 S148H-N 117.664 7.758 A149H-N 123.627 8.931 I150H-N 114.227 7.805 G151H-N 111.066 8.062 K152H-N 119.88 8.785 N153H-N 114.372 7.401 N153HD21-ND2 113.655 8.33 N153HD22-ND2 113.655 7.128 A154H-N 123.55 7.148 Q155H-N 117.785 7.337 Q155HE21-NE2 110.1 7.386 Q155HE22-NE2 110.1 6.755 F156H-N 117.923 8.764 I157H-N 117.47 8.768 Y158H-N 127.233 8.798 D159H-N 122.711 8.374 K160H-N 120.843 8.408 K161H-N 125.668 8.345 K162H-N 123.142 8.498 V167H-N 120.876 8.055 D168H-N 123.2 8.266 K169H-N 121.759 8.21 L170H-N 121.829 8.121 A171H-N 123.588 8.016 A172H-N 121.862 8.05 A173H-N 121.737 7.983 L174H-N 119.971 7.956 E175H-N 120.298 8.09 H176H-N 119.219 8.192