Assignment w1 w2 Q6H-N 121.981 8.307 Q6HE21-NE2 112.4 7.547 Q6HE22-NE2 112.4 6.769 D7H-N 121.427 8.602 D8H-N 120.087 8.144 I9H-N 120.732 7.9 A10H-N 126.86 8.19 I11H-N 120.037 7.966 E12H-N 123.711 8.376 Q13H-N 120.162 8.376 Q13HE21-NE2 112.095 7.396 Q13HE22-NE2 112.095 6.781 S14H-N 116.458 8.443 H15H-N 119.583 8.466 F16H-N 118.764 7.516 Y17H-N 118.177 7.707 V18H-N 120.076 7.432 E19H-N 117.592 7.859 K20H-N 120.029 7.866 A21H-N 122.896 7.711 L22H-N 118.521 7.763 Q23H-N 120.498 8.419 Q23HE21-NE2 112.097 7.762 Q23HE22-NE2 112.097 6.676 N24H-N 117.826 8.534 N24HD21-ND2 111.533 7.6 N24HD22-ND2 111.533 6.979 R25H-N 121.505 7.621 R25HE-NE 88.823 9.465 R26H-N 118.739 8.447 R26HE-NE 81.142 7.092 E27H-N 118.951 8.575 N28H-N 118.303 8.289 N28HD21-ND2 113.094 7.67 N28HD22-ND2 113.094 6.787 S29H-N 118.724 8.256 E30H-N 124.883 8.833 Q31H-N 116.42 7.433 Q31HE21-NE2 111.807 7.396 Q31HE22-NE2 111.807 6.736 F32H-N 123.13 8.084 S33H-N 113.2 8.141 T34H-N 106.372 7.44 T35H-N 116.974 7.444 Y36H-N 119.029 7.039 S37H-N 112.959 8.602 F38H-N 125.763 8.061 W39H-N 121.849 7.851 W39HE1-NE1 129.236 10.208 T40H-N 105.041 9.989 D41H-N 118.373 7.035 A42H-N 118.216 5.5 Y43H-N 117.195 7.54 V44H-N 120.5 8.047 Y45H-N 115.037 7.351 L46H-N 115.545 7.751 G47H-N 105.74 7.287 N48H-N 120.271 8.137 N48HD21-ND2 112.705 7.516 N48HD22-ND2 112.705 6.6 R49H-N 118.513 7.549 V50H-N 122.318 8.331 D51H-N 128.715 8.734 A52H-N 127.091 8.769 D53H-N 121.107 8.311 W54H-N 120.584 7.94 W54HE1-NE1 131.153 9.963 A55H-N 116.529 8.104 F56H-N 116.866 8.577 T57H-N 120.716 7.909 K58H-N 116.521 8.339 N59H-N 111.31 7.014 N59HD21-ND2 111.58 7.318 N59HD22-ND2 111.58 6.247 N60H-N 115.966 6.664 L61H-N 125.42 9.221 G62H-N 107.718 7.392 S63H-N 115.615 8.365 V64H-N 121.677 7.983 L65H-N 121.381 8.435 Y66H-N 115.006 7.878 T67H-N 111.974 8.639 T68H-N 116.318 8.933 N69H-N 114.56 7.114 N69HD21-ND2 108.306 7.485 N69HD22-ND2 108.306 6.805 G70H-N 105.662 6.975 Y71H-N 118.896 8.643 D72H-N 127.123 8.798 G73H-N 101.896 8.335 V74H-N 126.365 8.026 F75H-N 121.013 9.283 V76H-N 119.459 8.764 I77H-N 121.552 9.583 D78H-N 121.334 9.026 D79H-N 114.826 8.121 R80H-N 116.896 8.586 R80HE-NE 86.279 7.233 G81H-N 108.17 7.758 T82H-N 118.872 9.016 R83H-N 126.302 9.46 Y84H-N 120.076 7.758 A85H-N 129.846 7.946 M86H-N 123.232 8.328 L87H-N 130.074 8.617 E88H-N 124.568 9.528 G89H-N 101.052 8.036 E90H-N 118.006 7.366 L91H-N 123.677 7.936 S92H-N 116.201 7.944 E93H-N 124.029 8.567 R94H-N 122.49 8.079 R94HE-NE 84.226 7.235 S95H-N 118.537 8.785 L96H-N 124.849 8.948 A97H-N 119.287 7.714 D98H-N 116.787 7.707 S99H-N 114.771 7.251 L100H-N 118.029 7.617 N101H-N 118.17 8.051 N101HD21-ND2 112.892 7.691 N101HD22-ND2 112.892 6.753 A102H-N 118.513 7.475 D103H-N 117.716 8.121 T104H-N 114.287 8.372 G105H-N 112.162 8.725 D106H-N 120.654 8.153 I107H-N 122.521 7.396 L108H-N 119.31 7.674 R109H-N 115.826 8.296 S110H-N 115.357 8.366 A111H-N 125.263 8.55 R112H-N 119.771 7.989 R112HE-NE 87.866 7.61 R113H-N 117.201 7.537 A114H-N 122.302 8.083 A115H-N 118.474 7.524 V116H-N 120.529 7.413 D117H-N 117.357 7.072 E118H-N 113.615 7.728 A119H-N 121.13 7.613 A120H-N 121.068 8.32 I121H-N 109.302 8.544 S122H-N 111.154 8.304 R123H-N 115.802 9.032 Y124H-N 119.95 8.666 V125H-N 111.38 8.923 D126H-N 121.044 8.392 F127H-N 126.787 9.413 D128H-N 127.927 9.059 G129H-N 103.544 8.067 A130H-N 122.591 7.639 A132H-N 120.201 8.785 I133H-N 118.912 8.617 L134H-N 134.154 9.448 V135H-N 123.716 9.116 A136H-N 124.607 8.604 S137H-N 110.029 8.849 A138H-N 123.568 8.999 I139H-N 122.381 8.89 K140H-N 125.326 9.03 T142H-N 108.459 7.806 S143H-N 113.287 8.178 D144H-N 119.435 8.736 H145H-N 120.974 7.973 A146H-N 128.224 8.261 I148H-N 114.982 8.182 D149H-N 118.615 8.088 L150H-N 129.83 8.742 A151H-N 117.538 7.946 K152H-N 113.326 7.201 A153H-N 123.701 7.304 S154H-N 121.099 9.744 V155H-N 121.334 9.026 M156H-N 130.195 9.098 V157H-N 123.005 8.948 F158H-N 124.373 9.324 V159H-N 123.372 9.818 D160H-N 129.169 8.697 R161H-N 124.935 9.468 R161HE-NE 83.052 7.036 L162H-N 126.325 8.832 T163H-N 112.787 7.088 A165H-N 118.761 8.403 K166H-N 119.084 7.536 L167H-N 119.474 8.643 A168H-N 120.708 8.153 K169H-N 120.037 7.397 L170H-N 120.747 8.032 G171H-N 103.334 8.65 G172H-N 110.498 8.116 D173H-N 122.177 8.266 Y174H-N 116.295 7.586 G175H-N 108.529 7.57 I176H-N 121.873 8.399 A177H-N 132.388 8.911 N178H-N 118.334 8.624 N178HD21-ND2 109.921 6.874 N178HD22-ND2 109.921 6.546 L179H-N 123.974 8.905 H180H-N 122.935 9.518 L181H-N 122.161 8.764 L182H-N 129.328 8.641 A183H-N 129.168 8.688 G184H-N 108.849 8.33 G185H-N 108.694 8.242 A186H-N 122.982 7.898 A187H-N 123.834 8.336 G188H-N 107.442 8.343 D189H-N 121.419 8.242 K190H-N 119.42 8.016 E191H-N 120.71 7.813 S192H-N 110.146 7.326 L193H-N 120.224 8.839 A194H-N 128.341 8.814 L195H-N 122.568 7.683 E196H-N 127.012 8.427 G197H-N 111.755 8.785 T198H-N 110.889 8.113 H200H-N 119.006 7.937 R201H-N 122.615 9.053 L202H-N 120.194 8.738 A203H-N 121.818 9.016 W204H-N 114.685 7.257 W204HE1-NE1 128.653 10.129 V205H-N 116.847 8.068 S206H-N 120.967 8.787 S207H-N 103.638 7.993 R208H-N 127.635 7.993