Assignment w1 w2 D3H-N 126.569 8.495 F5H-N 118.924 8.313 T6H-N 115.034 7.81 A7H-N 126.173 8.138 H8H-N 118.047 8.234 A9H-N 125.409 8.316 T10H-N 113.193 8.233 G11H-N 111.389 8.418 A12H-N 123.761 8.216 G13H-N 108.402 8.253 A15H-N 124.416 8.454 G16H-N 109.489 8.551 R17H-N 121.299 8.25 Y18H-N 116.866 8.498 D19H-N 122.246 7.663 Q20H-N 119.463 8.541 Q20HE21-NE2 112.624 6.904 Q20HE22-NE2 112.624 7.574 A21H-N 122.601 8.351 T22H-N 112.112 8.568 D23H-N 122.317 8.271 T24H-N 116.761 7.974 I25H-N 122.01 8.126 L26H-N 118.654 8.609 T27H-N 117.028 7.917 V28H-N 123.267 8.057 I29H-N 118.407 8.144 E30H-N 117.294 7.524 N31H-N 119.519 8.386 N31HD21-ND2 109.341 6.86 N31HD22-ND2 109.341 7.159 I32H-N 123.24 8.223 F33H-N 116.233 7.431 S34H-N 115.44 8.761 S35H-N 115.971 7.544 M36H-N 119.743 7.122 G37H-N 112.793 8.242 D38H-N 122.503 8.343 A39H-N 126.772 8.669 G40H-N 103.883 8.512 E41H-N 124.634 7.855 M42H-N 119.672 8.636 V43H-N 115.943 7.848 R44H-N 122.572 7.967 Q45H-N 116.713 8.557 Q45HE21-NE2 110.407 6.35 Q45HE22-NE2 110.407 7.476 A46H-N 121.837 8.353 R47H-N 118.678 7.985 I48H-N 123.193 7.688 L49H-N 121.632 8.757 A50H-N 119.992 8.319 Q51H-N 119.084 7.752 Q51HE21-NE2 114.84 6.844 Q51HE22-NE2 114.84 7.681 A52H-N 122.216 8.48 V53H-N 117.395 8.895 S54H-N 116.812 8.196 D55H-N 120.306 8.26 L56H-N 123.755 7.564 V57H-N 120.434 9.111 N58H-N 116.729 8.288 N58HD21-ND2 112.979 6.897 N58HD22-ND2 112.979 7.737 A59H-N 126.08 7.954 I60H-N 120.34 8.561 K61H-N 118.636 8.586 A62H-N 122.094 7.915 D63H-N 121.504 8.37 A64H-N 123.16 8.795 E65H-N 118.183 7.956 G66H-N 104.784 7.623 E67H-N 122.437 7.228 S68H-N 119.924 8.467 D69H-N 123.825 8.754 L70H-N 128.666 8.712 E71H-N 119.168 8.317 N72H-N 119.64 8.39 N72HD21-ND2 112.96 7.117 N72HD22-ND2 112.96 8.015 S73H-N 114.985 8.516 R74H-N 119.142 8.149 K75H-N 120.978 7.982 L76H-N 121.773 8.062 L77H-N 118.242 8.396 S78H-N 115.869 8.328 A79H-N 123.858 7.89 A80H-N 119.528 8.386 K81H-N 119.606 7.754 I82H-N 119.33 8.009 L83H-N 120.983 8.003 A84H-N 121.968 8.187 D85H-N 119.913 8.42 A86H-N 121.871 8.371 V87H-N 120.169 8.917 A88H-N 126.788 7.549 K89H-N 116.914 7.518 M90H-N 119.659 7.751 V91H-N 120.874 8.916 E92H-N 118.213 7.753 A93H-N 122.089 8.14 A94H-N 122.588 8.934 K95H-N 117.311 8.068 G96H-N 107.703 8.059 A97H-N 123.915 8.291 A98H-N 118.903 8.084 A99H-N 116.676 7.296 H100H-N 113.764 7.36 D102H-N 115.292 8.62 S103H-N 113.617 7.516 E104H-N 133.522 9.326 E105H-N 120.335 8.606 Q106H-N 117.559 7.98 Q106HE21-NE2 111.579 6.938 Q106HE22-NE2 111.579 7.371 Q107H-N 119.637 7.919 Q107HE21-NE2 111.684 6.86 Q107HE22-NE2 111.684 7.447 Q108H-N 120.642 8.43 Q108HE21-NE2 112.281 6.866 Q108HE22-NE2 112.281 7.835 R109H-N 119.274 8.13 L110H-N 121.395 7.908 R111H-N 119.745 8.202 E112H-N 119.443 8.597 A113H-N 122.877 8.53 A114H-N 124.273 8.763 E115H-N 119.875 8.181 G116H-N 106.347 8.281 L117H-N 123.433 8.068 R118H-N 120.778 8.737 M119H-N 117.215 8.336 A120H-N 123.252 7.939 I121H-N 119.903 8.572 N122H-N 119.194 8.048 N122HD21-ND2 111.333 6.824 N122HD22-ND2 111.333 7.533 A123H-N 121.083 8.092 A124H-N 120.25 7.923 A125H-N 118.515 8.133 Q126H-N 115.883 7.886 Q126HE21-NE2 112.268 6.866 Q126HE22-NE2 112.268 7.494 N127H-N 116.961 7.953 N127HD21-ND2 112.394 6.998 N127HD22-ND2 112.394 7.531 A128H-N 122.202 7.919 I129H-N 118.803 7.824 K130H-N 126.727 8.428 K131H-N 129.056 8.072