Assignment w1 w2 E3H-N 121.668 8.331 A4H-N 124.493 8.131 G5H-N 108.204 8.279 G6H-N 108.82 8.246 M7H-N 119.938 8.005 S8H-N 118.919 8.731 E9H-N 122.442 8.901 L10H-N 120.568 8.02 Q11H-N 119.93 7.811 Q11HE21-NE2 111.76 6.891 Q11HE22-NE2 111.76 7.24 W12H-N 121.031 8.205 W12HE1-NE1 129.768 10.111 E13H-N 121.866 8.433 Q14H-N 120.449 8.124 A15H-N 123.114 8.344 Q16H-N 117.718 8.5 Q16HE21-NE2 112.345 6.705 Q16HE22-NE2 112.345 7.584 D17H-N 120.04 7.871 Y18H-N 122.465 8.244 L19H-N 117.635 8.714 K20H-N 124.592 8.815 R21H-N 117.535 7.81 F22H-N 112.117 8.005 Y23H-N 116.183 7.678 L24H-N 115.566 7.238 Y25H-N 119.901 7.845 D26H-N 129.338 8.108 E28H-N 122.058 8.255 T29H-N 114.161 7.498 K30H-N 123.019 8.218 A32H-N 126.484 8.411 N33H-N 116.885 8.309 S34H-N 116.836 8.123 L35H-N 125.333 8.313 E36H-N 119.201 8.225 A37H-N 120.746 7.917 K38H-N 119.326 8.216 L39H-N 122.736 8.666 K40H-N 118.411 8.227 E41H-N 121.329 7.718 M42H-N 123.817 7.657 Q43H-N 119.998 8.91 Q43HE21-NE2 110.209 5.834 Q43HE22-NE2 110.209 6.524 K44H-N 119.165 8.507 F45H-N 123.602 8.445 F46H-N 112.715 8.272 G47H-N 110.439 7.926 L48H-N 121.83 8.762 I50H-N 126.859 8.548 T51H-N 116.443 8.001 G52H-N 112.719 9.499 M53H-N 116.621 7.993 L54H-N 122.679 7.941 N55H-N 115.797 6.547 N55HD21-ND2 110.004 6.497 N55HD22-ND2 110.004 7.342 S56H-N 121.507 8.213 R57H-N 122.951 7.895 V58H-N 118.764 7.582 I59H-N 119.159 7.323 E60H-N 119.367 7.879 I61H-N 118.824 7.247 M62H-N 119.986 7.835 Q63H-N 114.565 7.454 Q63HE21-NE2 110.8 6.648 Q63HE22-NE2 110.8 7.484 K64H-N 121.441 7.483 R66H-N 112.692 8.145 R66HE-NE 112.306 6.321 C67H-N 121.732 7.754 G68H-N 116.217 9.704 V69H-N 126.358 9.112 D71H-N 118.989 8.053 V72H-N 112.951 6.43 A73H-N 125.864 8.177 E74H-N 120.726 8.38 Y75H-N 121.475 8.065 S76H-N 117.86 7.748 L77H-N 123.745 7.978 F78H-N 119.275 7.826 N80H-N 118.02 8.067 N80HD21-ND2 113.171 6.784 N80HD22-ND2 113.171 7.45 K83H-N 114.597 7.355 W84H-N 122.453 8.05 W84HE1-NE1 128.083 10.176 T85H-N 113.647 8.854 S86H-N 117.261 7.742 K87H-N 120.329 8.286 V88H-N 117.532 7.428 V89H-N 131.452 8.603 T90H-N 118.206 9.021 Y91H-N 118.121 8.556 R92H-N 120.252 8.52 R92HE-NE 114.038 7.013 I93H-N 128.315 8.885 V94H-N 126.647 9.517 S95H-N 113.398 7.463 Y96H-N 116.527 8.239 T97H-N 112.717 5.206 R98H-N 128.156 8.918 D99H-N 120.592 8.708 L100H-N 116.828 6.916 I103H-N 115.164 8.233 T104H-N 119.374 6.947 V105H-N 123.263 7.404 D106H-N 119.972 8.628 R107H-N 121.033 8.356 R107HE-NE 116.853 7.715 L108H-N 121.466 8.79 V109H-N 120.233 8.787 S110H-N 112.862 7.605 K111H-N 122.319 8.156 A112H-N 124.147 8.278 L113H-N 116.195 8.021 N114H-N 116.57 8.212 N114HD21-ND2 113.96 6.838 N114HD22-ND2 113.96 7.508 M115H-N 122.055 7.937 W116H-N 117.115 6.783 W116HE1-NE1 129.374 10.29 G117H-N 104.511 9.302 K118H-N 118.58 7.94 E119H-N 113.749 7.763 I120H-N 111.144 7.518 L122H-N 121.529 6.847 H123H-N 121.054 7.76 F124H-N 120.465 8.306 R125H-N 124.008 8.426 K126H-N 130.004 8.481 V127H-N 125.288 8.721 V128H-N 117.467 8.406 W129H-N 119.986 7.438 W129HE1-NE1 129.923 10.076 G130H-N 109.9 8.006 T131H-N 116.304 8.229 A132H-N 129.807 7.962 D133H-N 122.9 8.251 I134H-N 125.472 8.802 M135H-N 127.278 7.418 I136H-N 125.44 9.124 G137H-N 112.211 8.594 F138H-N 119.463 7.857 A139H-N 123.914 8.955 R140H-N 118.34 8.546 G141H-N 108.916 8.989 A142H-N 121.448 8.642 H143H-N 120.356 8.99 D145H-N 117.762 7.096 S146H-N 125.54 8.261 Y147H-N 120.757 7.45 F149H-N 120.514 8.024 D150H-N 115.554 7.511 G151H-N 110.65 9.08 G153H-N 118.779 11.431 N154H-N 120.684 9.247 T155H-N 118.254 9.5 L156H-N 122.588 8.492 A157H-N 115.389 7.567 H158H-N 111.9 8.757 A159H-N 118.276 6.11 F160H-N 117.937 7.912 A161H-N 123.531 8.107 G163H-N 107.206 5.997 G165H-N 103.11 9.145 G167H-N 103.318 7.768 G168H-N 121.051 7.698 D169H-N 123.641 8.595 A170H-N 119.366 8.324 H171H-N 120.239 8.499 F172H-N 121.125 8.445 D173H-N 124.014 7.927 E174H-N 132.469 9.528 D175H-N 117.394 8.768 E176H-N 116.49 7.159 R177H-N 122.141 7.557 W178H-N 129.179 8.807 W178HE1-NE1 129.104 10.211 T179H-N 112.792 8.974 D180H-N 122.074 8.485 G181H-N 110.123 8.569 S182H-N 115.562 8.16 S183H-N 117.153 7.796 L184H-N 122.351 8.092 G185H-N 108.871 7.96 I186H-N 123.096 8.893 N187H-N 126.968 8.587 F188H-N 129.985 9.361 L189H-N 119.113 8.562 A191H-N 120.352 7.993 A192H-N 121.409 9.297 T193H-N 116.996 8.226 H194H-N 120.296 7.782 A195H-N 121.29 8.69 L196H-N 114.899 8.715 G197H-N 107.901 7.546 H198H-N 122.017 7.196 S199H-N 118.486 7.885 L200H-N 114.686 7.108 G201H-N 108.363 8.195 M202H-N 119.635 8.182 G203H-N 109.749 8.405 H204H-N 115.732 8.364 S205H-N 115.484 7.231 S206H-N 119.263 8.289 D207H-N 126.646 8.541 N209H-N 116.02 8.35 N209HD21-ND2 115.838 6.907 N209HD22-ND2 115.838 7.904 A210H-N 124.892 8.193 V211H-N 130.402 11.592 M212H-N 113.285 7.724 Y213H-N 129.899 7.902 T215H-N 104.45 6.407 Y216H-N 124.618 8.331 G217H-N 116.089 7.695 N218H-N 120.167 8.237 G219H-N 109.322 8.027 D220H-N 123.006 8.273 Q222H-N 116.718 8.24 N223H-N 118.368 7.946 F224H-N 118.429 6.992 K225H-N 121.714 7.71 L226H-N 119.026 8.014 S227H-N 120.32 9.654 Q228H-N 127.511 8.248 D229H-N 124.358 8.138 D230H-N 119.694 7.393 I231H-N 120.364 8.115 K232H-N 119.156 8.607 G233H-N 106.425 8.075 I234H-N 125.119 8.539 Q235H-N 122.877 8.296 K236H-N 123.678 8.024 L237H-N 116.873 6.888 Y238H-N 112.237 7.445 G239H-N 110.906 8.443 K240H-N 114.281 7.873 R241H-N 123.758 7.742 S242H-N 135.65 9.17 K247H-N 128.815 7.891