Assignment w1 w2 S3H-N 115.966 8.409 S4H-N 117.933 8.291 K5H-N 124.188 8.225 L7H-N 122.437 8.271 A8H-N 124.192 8.227 E9H-N 119.338 8.278 Y10H-N 119.799 7.938 A11H-N 124.512 7.942 R12H-N 119.719 7.998 K13H-N 122.321 8.205 R14H-N 122.044 8.259 D15H-N 121.138 8.216 F16H-N 121.184 8.12 R17H-N 122.397 8.126 Q18H-N 121.24 8.269 T19H-N 118.156 8.183 E21H-N 122.764 8.452 S23H-N 115.967 8.412 G24H-N 110.63 8.365 R25H-N 120.435 8.073 K26H-N 124.221 8.355 R28H-N 121.86 8.414 K29H-N 123.155 8.443 D30H-N 121.395 8.356 S31H-N 116.349 8.285 T32H-N 115.872 8.231 G33H-N 111.49 8.417 L34H-N 121.452 7.826 L35H-N 124.925 8.492 R36H-N 122.925 9.166 Y37H-N 118.827 8.399 C38H-N 116.493 8.763 V39H-N 120.907 8.809 Q40H-N 126.143 9.395 K41H-N 123.012 9.131 D43H-N 122.522 8.493 R46H-N 121.645 8.053 D50H-N 122.563 9.372 F51H-N 127.678 9.734 R52H-N 125.473 8.458 L53H-N 120.906 9.027 E54H-N 124.566 9.003 L55H-N 124.036 8.995 D56H-N 125.247 9.092 G57H-N 103.514 8.969 T58H-N 114.584 7.81 L59H-N 119.805 8.787 K60H-N 130.224 9.173 S61H-N 119.802 9.051 W62H-N 122.66 9.27 W62HE1-NE1 132.91 10.525 A63H-N 127.58 9.798 V64H-N 124.472 9.23 K66H-N 121.838 8.658 G67H-N 108.494 8.085 L70H-N 125.138 8.681 D71H-N 122.849 7.965 A73H-N 118.001 8.561 V74H-N 121.739 7.829 K75H-N 125.264 8.339 R76H-N 123.748 7.915 L77H-N 127.863 8.646 A78H-N 128.374 8.961 V79H-N 125.403 9.649 Q80H-N 130.049 9.103 V81H-N 122.049 7.853 E82H-N 121.273 8.531 D83H-N 121.818 8.364 H84H-N 121.317 8.485 L86H-N 124.173 8.499 D87H-N 127.12 8.776 A89H-N 122.315 8.206 D90H-N 117.045 7.73 F91H-N 118.933 7.856 E92H-N 119.535 7.89 G93H-N 108.715 8.143 S94H-N 115.749 8.177 I95H-N 123.649 8.162 Q97H-N 120.121 8.388 G98H-N 109.599 8.348 H99H-N 118.817 8.141 Y100H-N 121.686 8.291 G101H-N 111.203 8.367 A102H-N 123.594 8.116 G103H-N 108.333 8.396 D104H-N 119.921 8.209 V105H-N 119.304 7.859 I106H-N 123.382 8.348 V107H-N 125.829 8.844 W108H-N 132.504 9.152 D109H-N 111.513 8.254 R110H-N 118.135 8.122 G111H-N 106.527 7.08 A112H-N 128.428 8.649 W113H-N 122.16 9.278 W113HE1-NE1 131.73 10.653 T114H-N 115.735 9.124 L116H-N 124.408 8.786 D117H-N 118.07 7.892 D118H-N 120.47 8.549 R120H-N 120.67 7.936 E121H-N 121.269 8.022 G122H-N 107.584 8.536 L123H-N 122.044 8.259 E124H-N 119.825 7.658 K125H-N 116.939 8.765 G126H-N 108.119 7.959 H127H-N 120.649 9.031 L128H-N 129.433 9.599 S129H-N 121.827 9.015 F130H-N 121.807 8.362 A131H-N 121.531 8.967 L132H-N 119.35 8.798 D133H-N 121.596 8.777 G134H-N 114.723 8.132 E135H-N 121.888 8.612 K136H-N 116.33 8.908 L137H-N 117.611 7.873 S138H-N 111.02 7.345 G139H-N 106.789 8.34 R140H-N 117.291 8.863 W141H-N 122.429 8.944 H142H-N 116.496 9.192 L143H-N 124.715 9.151 I144H-N 123.714 9.145 R145H-N 131.499 8.574 T146H-N 119.151 8.883 N147H-N 119.704 8.046 N147HD21-ND2 112.42 7.487 N147HD22-ND2 112.42 6.855 L148H-N 121.415 8.065 G150H-N 111.337 8.629 K151H-N 122.342 8.335 Q152H-N 117.93 8.418 S153H-N 115.68 8.504 Q154H-N 122.17 8.574 Q154HE21-NE2 111.805 7.409 Q154HE22-NE2 111.805 6.771 W155H-N 124.911 9.219 F156H-N 116.78 9.539 L157H-N 124.633 9.481 V158H-N 129.111 9.473 K159H-N 131.301 9.227 A160H-N 126.57 7.799 K161H-N 122.833 8.674 D162H-N 116.77 8.209 R166H-N 120.304 8.159 R170H-N 124.771 9.098 F171H-N 124.753 7.642 L174H-N 122.289 8.383 E176H-N 121.697 8.14 R177H-N 126.421 7.959