Assignment w1 w2 D3H-N 119.661 8.462 N6H-N 113.819 7.853 S7H-N 114.357 8.023 F8H-N 121.037 7.731 T9H-N 116.535 8.929 A10H-N 129.359 8.907 G11H-N 106.331 7.978 G14H-N 109.688 8.402 F15H-N 122.491 7.957 V16H-N 121.128 7.994 L17H-N 124.386 7.572 D18H-N 126.746 8.552 Q20H-N 120.804 8.447 A21H-N 121.267 7.791 S22H-N 113.339 7.785 V23H-N 125.14 8.572 S24H-N 116.704 7.951 N25H-N 117.576 7.131 G26H-N 103.925 7.338 A27H-N 124.942 8.032 T28H-N 113.423 8.53 F29H-N 128.18 9.146 L30H-N 127.849 8.635 E31H-N 115.131 7.252 S32H-N 118.016 9.033 T34H-N 118.079 8.67 V35H-N 117.395 7.448 R36H-N 117.852 8.71 R37H-N 117.035 7.292 G38H-N 114.911 9.255 W39H-N 121.81 9.963 W39HE1-NE1 128.338 9.969 D40H-N 116.4 6.934 C41H-N 122.454 7.603 V42H-N 119.192 7.192 R43H-N 118.185 7.971 A44H-N 120.815 7.453 C45H-N 120.38 7.944 C46H-N 116.27 8.315 T47H-N 107.283 7.445 T48H-N 121.432 7.553 Q49H-N 129.41 8.812 N50H-N 115.015 8.791 C51H-N 115.83 7.651 N52H-N 125.148 8.736 L53H-N 120.898 8.2 A54H-N 128.085 9.156 L55H-N 128.723 9.578 V56H-N 119.417 9.297 E57H-N 124.427 7.749 L58H-N 127.294 8.323 Q59H-N 121.361 8.095 D61H-N 116.484 8.638 R62H-N 117.895 7.905 G63H-N 108.307 7.753 E64H-N 120.035 8.509 D65H-N 121.16 8.916 A66H-N 122.13 7.361 I67H-N 113.78 7.667 A68H-N 122.673 8.904 A69H-N 116.486 7.182 C70H-N 120.099 8.298 F71H-N 126.406 9.712 L72H-N 122.119 8.719 I73H-N 125.324 8.986 N74H-N 121.534 8.694 C75H-N 122.779 10.668 L76H-N 121.063 8.256 Y77H-N 123.081 8.99 E78H-N 128.742 9.135 Q79H-N 108.066 8.39 N80H-N 118.528 8.092 F81H-N 124.68 9.026 V82H-N 119.455 8.364 C83H-N 116.13 5.39 K84H-N 120.071 8.066 F85H-N 118.415 8.714 A86H-N 124.209 9.295 R88H-N 126.071 8.672 E89H-N 125.683 8.603 G90H-N 110.031 9.036 I92H-N 117.417 8.777 N93H-N 117.201 8.872 Y94H-N 123.991 9.526 L95H-N 122.779 9.01 T96H-N 113.189 7.737 R97H-N 120.975 8.149 E98H-N 116.997 8.622 V99H-N 111.213 7.227 Y100H-N 123.512 8.492 R101H-N 116.68 8.053 S102H-N 115.306 7.139 Y103H-N 123.207 7.253 R104H-N 118.708 8.441 Q105H-N 116.551 7.332 L106H-N 118.877 7.106 V107H-N 119.076 7.427 D108H-N 119.888 7.93 H109H-N 117.821 7.68 H110H-N 119.18 7.868 D3H-N 119.624 8.498 N6H-N 113.833 7.888 N6HD21-ND2 113.668 7.933 N6HD22-ND2 113.668 6.957 S7H-N 114.188 8.061 F8H-N 120.932 7.767 T9H-N 116.435 8.966 A10H-N 129.336 8.93 G11H-N 106.258 8.014 G14H-N 109.613 8.446 F15H-N 122.355 7.99 V16H-N 121.108 8.054 L17H-N 124.431 7.611 D18H-N 126.713 8.588 Q20H-N 120.787 8.478 A21H-N 121.215 7.828 S22H-N 113.29 7.822 V23H-N 124.997 8.608 S24H-N 116.755 7.98 N25H-N 117.521 7.167 N25HD21-ND2 113.095 7.112 N25HD22-ND2 113.095 7.977 G26H-N 103.89 7.376 A27H-N 124.882 8.067 T28H-N 113.383 8.564 F29H-N 128.338 9.175 L30H-N 127.823 8.678 E31H-N 115.057 7.285 S32H-N 117.91 9.066 T34H-N 118.073 8.712 V35H-N 117.343 7.49 R36H-N 117.661 8.757 R37H-N 116.988 7.35 G38H-N 114.814 9.294 W39H-N 121.706 9.966 W39HE1-NE1 128.269 10.005 D40H-N 116.35 6.97 C41H-N 122.377 7.637 V42H-N 119.107 7.228 R43H-N 118.096 8.009 A44H-N 120.786 7.491 C45H-N 120.302 7.981 C46H-N 116.226 8.354 T47H-N 107.184 7.482 T48H-N 121.386 7.59 Q49H-N 129.334 8.836 Q49HE21-NE2 112.364 6.885 Q49HE22-NE2 112.364 7.506 N50H-N 114.957 8.823 N50HD21-ND2 113.849 7.051 N50HD22-ND2 113.849 7.526 C51H-N 115.745 7.687 N52H-N 125.03 8.771 L53H-N 120.842 8.236 A54H-N 128.103 9.213 L55H-N 128.64 9.615 V56H-N 119.455 9.336 E57H-N 124.411 7.799 L58H-N 127.254 8.356 Q59H-N 121.287 8.143 D61H-N 116.411 8.667 R62H-N 117.832 7.935 G63H-N 108.238 7.791 E64H-N 120.039 8.553 D65H-N 120.988 8.938 A66H-N 122.084 7.395 I67H-N 113.739 7.709 A68H-N 122.637 8.939 A69H-N 116.403 7.224 C70H-N 120.083 8.331 F71H-N 126.359 9.749 L72H-N 122.072 8.749 I73H-N 125.288 9.025 N74H-N 121.433 8.733 C75H-N 122.726 10.699 L76H-N 121.007 8.294 Y77H-N 123.059 9.036 E78H-N 128.709 9.174 Q79H-N 108.027 8.423 N80H-N 118.469 8.127 N80HD21-ND2 115.185 7.575 N80HD22-ND2 115.185 6.983 F81H-N 124.609 9.057 V82H-N 119.384 8.399 C83H-N 116.138 5.437 K84H-N 120.084 8.098 F85H-N 118.423 8.753 A86H-N 124.179 9.351 R88H-N 126.012 8.697 E89H-N 125.645 8.635 G90H-N 109.976 9.067 I92H-N 117.338 8.819 N93H-N 117.173 8.907 Y94H-N 123.938 9.552 L95H-N 122.751 9.048 T96H-N 113.108 7.773 R97H-N 120.964 8.191 E98H-N 117.028 8.655 V99H-N 111.215 7.267 Y100H-N 123.463 8.538 R101H-N 116.639 8.084 S102H-N 115.2 7.178 Y103H-N 123.119 7.299 R104H-N 118.625 8.473 Q105H-N 116.398 7.367 L106H-N 118.787 7.157 V107H-N 118.8 7.435 D108H-N 119.908 7.953 H109H-N 117.7 7.729 H110H-N 119.112 7.967