Assignment w1 w2 G3H-N 111.227 8.767 D4H-N 120.591 8.202 K5H-N 121.638 8.369 S6H-N 117.052 8.389 E7H-N 122.484 8.455 N8H-N 119.767 8.449 N8HD21-ND2 112.948 6.93 N8HD22-ND2 112.948 7.609 V9H-N 120.815 8.145 Q10H-N 123.433 8.438 Q10HE21-NE2 112.523 7.547 Q10HE22-NE2 112.523 6.867 D11H-N 121.561 8.279 L12H-N 122.249 8.069 L13H-N 122.371 8.165 L14H-N 122.925 8.059 L15H-N 122.811 8.067 D16H-N 120.975 8.508 V17H-N 110.899 7.629 A18H-N 125.814 8.459 L20H-N 113.991 7.369 S21H-N 119.711 10.655 L22H-N 120.93 8.965 G23H-N 111.745 9.348 L24H-N 119.725 8.49 E25H-N 117.877 7.36 T26H-N 122.249 9.635 A27H-N 119.439 8.252 G28H-N 107.743 8.421 G29H-N 106.553 7.98 V30H-N 123.731 6.994 M31H-N 125.308 8.744 T32H-N 130.021 8.987 A33H-N 129.034 8.864 L34H-N 123.272 8.747 I35H-N 117.873 7.726 K36H-N 125.802 8.675 R37H-N 125.264 8.339 R37HE-NE 84.186 7.163 N38H-N 118.925 9.454 N38HD21-ND2 110.898 6.523 N38HD22-ND2 110.898 7.616 S39H-N 115.517 7.85 T40H-N 118.333 8.426 I41H-N 118.009 7.715 T43H-N 115.317 8.458 K44H-N 123.947 7.768 Q45H-N 123.697 9.071 Q45HE21-NE2 112.368 6.933 Q45HE22-NE2 112.368 7.438 T46H-N 120.805 8.68 Q47H-N 125.309 9.164 Q47HE21-NE2 110.397 6.566 Q47HE22-NE2 110.397 7.388 I48H-N 122.022 8.379 F49H-N 128.125 9.614 T50H-N 114.403 8.758 T51H-N 110.045 8.776 Y52H-N 121.275 8.24 S53H-N 113.364 8.608 D54H-N 122.058 8.784 N55H-N 116.134 9.035 N55HD21-ND2 113.079 7.506 N55HD22-ND2 113.079 6.717 Q56H-N 123.731 7.607 Q56HE21-NE2 114.055 8.108 Q56HE22-NE2 114.055 7.949 G58H-N 105.924 7.051 V59H-N 109.546 8.671 L60H-N 124.175 8.173 I61H-N 129.881 8.887 Q62H-N 126.193 9.017 Q62HE21-NE2 114.868 7.979 Q62HE22-NE2 114.868 6.782 V63H-N 123.326 8.698 Y64H-N 127.486 9.046 E65H-N 118.26 9.074 G66H-N 111.766 8.87 E67H-N 111.288 8.178 R68H-N 118.367 8.442 R68HE-NE 80.874 9.311 A69H-N 122.037 7.388 M70H-N 113.975 8.747 T71H-N 114.642 8.327 K72H-N 119.091 8.345 D73H-N 117.545 7.324 N74H-N 120.041 7.726 N75H-N 116.298 8.65 N75HD21-ND2 115.571 6.902 N75HD22-ND2 115.571 8.556 L76H-N 129.635 8.745 L77H-N 126.382 9.392 G78H-N 103.741 7.135 R79H-N 116.672 8.56 F80H-N 115.938 8.881 E81H-N 119.904 8.938 L82H-N 125.868 8.486 S83H-N 121.466 8.611 G84H-N 108.195 8.265 I85H-N 123.322 8.002 A88H-N 127.434 7.954 R90H-N 120.827 9.217 G91H-N 109.022 7.358 V92H-N 119.364 7.545 Q94H-N 122.939 9.209 Q94HE21-NE2 112.63 7.312 Q94HE22-NE2 112.63 6.789 I95H-N 125.154 9.282 E96H-N 129.681 9.506 V97H-N 131.363 9.454 T98H-N 122.777 9.111 F99H-N 129.128 9.631 D100H-N 124.425 8.803 I101H-N 125.783 9.165 D102H-N 128.896 8.208 A103H-N 117.408 8.454 N104H-N 113.707 8.163 N104HD21-ND2 114.587 6.922 N104HD22-ND2 114.587 7.839 G105H-N 108.69 8.184 I106H-N 123.352 8.332 L107H-N 130.935 8.241 N108H-N 126.524 9.553 N108HD21-ND2 116.588 6.847 N108HD22-ND2 116.588 8.008 V109H-N 125.772 8.768 T110H-N 120.704 8.632 A111H-N 127.404 9.07 T112H-N 117.145 8.885 D113H-N 127.526 9.103 K114H-N 126.555 8.771 S115H-N 114.252 9.008 T116H-N 108.956 7.456 G117H-N 112.47 8.747 K118H-N 123.097 8.08 A119H-N 124.28 8.264 N120H-N 116.306 8.883 N120HD21-ND2 110.498 7.268 N120HD22-ND2 110.498 8.09 K121H-N 119.153 7.887 I122H-N 116.97 8.23 T123H-N 121.681 8.176 I124H-N 130.203 9.675 T125H-N 120.27 8.529 N126H-N 120.32 8.47 N126HD21-ND2 111.446 6.738 N126HD22-ND2 111.446 7.617 D127H-N 120.705 8.305 K128H-N 121.197 8.276 G129H-N 109.452 8.58 R130H-N 119.812 7.718 R130HE-NE 83.258 7.563 L131H-N 121.13 8.43 S132H-N 118.228 8.726 K133H-N 121.589 8.912 E134H-N 118.142 8.843 E135H-N 121.761 7.812 I136H-N 121.743 8.364 E137H-N 117.741 8.07 R138H-N 119.453 7.867 M139H-N 119.89 8.203 V140H-N 121.556 8.537 Q141H-N 119.499 8.289 Q141HE21-NE2 111.616 6.829 Q141HE22-NE2 111.616 7.549 E142H-N 121.486 8.732 A143H-N 119.887 7.944 E144H-N 116.96 7.559 K145H-N 121.296 7.968 Y146H-N 115.641 7.688 K147H-N 121.721 7.096 A148H-N 120.636 8.618 E149H-N 120.045 8.614 D150H-N 122.217 8.87 E151H-N 120.142 8.259 V152H-N 118.387 7.436 Q153H-N 117.674 7.571 Q153HE21-NE2 112.334 7.331 Q153HE22-NE2 112.334 6.967 R154H-N 118.132 8.079 R154HE-NE 84.707 7.507 E155H-N 117.121 7.829 R156H-N 117.221 7.382 V157H-N 119.005 7.41 A159H-N 126.527 7.976 K160H-N 121.686 8.427 N161H-N 117.938 8.612 N161HD21-ND2 110.563 7.112 N161HD22-ND2 110.563 6.748 A162H-N 121.409 8.0 L163H-N 120.789 9.026 E164H-N 122.064 8.8 S165H-N 112.612 8.813 Y166H-N 118.949 7.485 A167H-N 125.055 8.42 F168H-N 123.325 8.671 N169H-N 117.639 8.59 N169HD21-ND2 113.464 7.381 N169HD22-ND2 113.464 7.032 M170H-N 120.311 7.948 K171H-N 122.401 8.136 S172H-N 117.249 8.289 A173H-N 126.241 8.319 V174H-N 118.668 8.037 E175H-N 124.163 8.416 D176H-N 121.554 8.281 E177H-N 122.758 8.512 G178H-N 108.763 8.511 L179H-N 121.196 7.962 K180H-N 121.101 8.136 G181H-N 109.409 8.315 K182H-N 120.94 8.068 I183H-N 122.529 8.257 S184H-N 120.323 8.361 E185H-N 128.249 8.074