Assignment w1 w2 A2H-N 124.471 8.209 D3H-N 119.139 8.13 E4H-N 120.858 8.306 N5H-N 118.298 8.28 N5HD21-ND2 112.635 7.528 N5HD22-ND2 112.635 6.819 K6H-N 120.257 7.9 W7H-N 119.922 7.883 W7HE1-NE1 129.151 10.117 V8H-N 119.956 7.626 R9H-N 123.474 8.054 R10H-N 122.164 8.245 D11H-N 120.824 8.358 V12H-N 119.657 7.994 S13H-N 117.339 8.268 T14H-N 116.157 8.058 A15H-N 124.964 7.99 L16H-N 118.397 8.012 S17H-N 114.395 7.957 R18H-N 120.801 7.913 M19H-N 119.516 8.011 G20H-N 108.541 8.321 D21H-N 121.101 8.38 E22H-N 119.884 8.662 A23H-N 120.608 8.005 F24H-N 118.125 7.9 E25H-N 116.972 8.605 L27H-N 120.309 7.241 L28H-N 120.825 8.016 E29H-N 118.776 8.08 S30H-N 115.608 7.661 L31H-N 118.715 7.356 S32H-N 108.905 7.384 N33H-N 123.005 7.501 N33HD21-ND2 114.09 8.057 N33HD22-ND2 114.09 6.959 E34H-N 124.677 8.916 D35H-N 122.98 9.222 W36H-N 128.634 8.322 W36HE1-NE1 130.318 10.268 R37H-N 121.988 7.856 I38H-N 117.623 6.703 R39H-N 118.119 8.199 G40H-N 104.188 8.62 A41H-N 124.556 7.918 A42H-N 117.124 8.135 A43H-N 120.433 8.288 W44H-N 114.35 8.06 W44HE1-NE1 129.236 8.765 I45H-N 114.57 7.794 I46H-N 119.132 8.49 G47H-N 110.66 8.444 N48H-N 116.622 8.065 N48HD21-ND2 113.156 7.627 N48HD22-ND2 113.156 7.117 F49H-N 115.037 7.659 Q50H-N 113.502 8.088 Q50HE21-NE2 111.421 7.482 Q50HE22-NE2 111.421 6.795 D51H-N 119.167 8.306 E52H-N 125.785 9.091 R53H-N 122.531 9.549 A54H-N 114.993 7.767 V55H-N 117.083 7.545 E56H-N 117.032 8.713 L58H-N 116.63 7.519 I59H-N 118.799 8.29 K60H-N 118.82 7.259 L61H-N 118.257 7.492 L62H-N 118.214 7.548 E63H-N 112.58 7.257 D64H-N 122.241 7.325 D65H-N 123.636 8.34 S66H-N 115.39 9.679 F68H-N 122.9 8.13 V69H-N 118.134 7.222 R70H-N 116.594 8.126 S71H-N 113.249 7.924 G72H-N 111.973 7.033 A73H-N 122.869 8.069 A74H-N 118.24 7.807 R75H-N 118.288 7.514 S76H-N 118.062 8.645 L77H-N 122.775 8.333 E78H-N 117.352 7.427 Q79H-N 117.851 7.787 Q79HE21-NE2 109.998 7.312 Q79HE22-NE2 109.998 6.565 I80H-N 119.28 7.875 G81H-N 104.195 7.857 G82H-N 104.719 8.027 E83H-N 119.107 8.81 R84H-N 121.215 8.819 V85H-N 119.126 7.368 R86H-N 119.381 7.793 A87H-N 118.779 8.044 A88H-N 120.572 7.611 M89H-N 117.325 8.471 E90H-N 120.174 8.566 K91H-N 117.813 7.26 L92H-N 122.334 8.07 A93H-N 120.383 8.423 E94H-N 114.261 7.3 T95H-N 106.487 8.077 G96H-N 111.59 8.387 T97H-N 109.639 8.306 G98H-N 108.542 8.481 F99H-N 126.862 8.915 A100H-N 119.98 8.581 R101H-N 114.769 6.848 K102H-N 118.29 7.484 V103H-N 119.101 8.106 A104H-N 124.074 7.74 V105H-N 117.214 8.552 N106H-N 116.863 7.804 N106HD21-ND2 112.785 7.808 N106HD22-ND2 112.785 6.866 Y107H-N 122.295 8.771 L108H-N 119.384 8.399 E109H-N 116.503 7.838 T110H-N 105.927 7.363 H111H-N 125.239 7.341