Assignment w1 w2 E3H-N 117.362 7.821 I4H-N 121.025 7.576 M5H-N 117.588 7.972 K6H-N 116.718 7.885 N7H-N 117.406 7.767 L8H-N 118.599 7.085 N11H-N 115.896 7.877 N11HD21-ND2 114.821 6.946 N11HD22-ND2 114.821 7.775 F12H-N 123.879 8.839 G13H-N 100.28 7.651 K14H-N 120.979 7.119 A15H-N 118.305 7.579 M16H-N 120.7 7.643 D17H-N 117.881 8.772 Q18H-N 119.604 7.686 Q18HE21-NE2 111.313 7.706 Q18HE22-NE2 111.313 6.81 C19H-N 117.52 8.213 K20H-N 121.307 9.085 D21H-N 117.812 7.423 E22H-N 119.524 8.537 L23H-N 115.378 7.987 S24H-N 115.353 7.614 L25H-N 117.635 8.211 D27H-N 123.5 8.804 S28H-N 112.878 8.532 V29H-N 123.553 7.146 V30H-N 118.916 6.946 A31H-N 117.291 8.02 D32H-N 116.135 7.511 L33H-N 117.399 7.515 Y34H-N 123.139 8.502 N35H-N 117.987 7.869 N35HD21-ND2 114.463 7.01 N35HD22-ND2 114.463 7.394 F36H-N 118.595 7.092 W37H-N 112.667 8.638 K38H-N 121.481 8.299 D39H-N 125.578 9.19 D40H-N 114.897 8.401 Y41H-N 121.217 7.172 V42H-N 126.642 7.329 M43H-N 128.49 7.437 T44H-N 114.594 8.602 D45H-N 123.842 7.868 R46H-N 128.697 8.974 R46HE-NE 86.523 9.206 L47H-N 115.531 8.944 A48H-N 122.058 7.828 G49H-N 104.849 7.309 C50H-N 118.479 8.774 A51H-N 125.919 8.752 I52H-N 117.354 8.027 N53H-N 117.393 7.832 N53HD21-ND2 112.234 7.403 N53HD22-ND2 112.234 6.774 C54H-N 121.865 8.475 L55H-N 121.307 9.157 A56H-N 106.625 7.797 T57H-N 117.55 8.364 K58H-N 122.658 8.337 L59H-N 117.227 6.924 D60H-N 116.318 8.01 V61H-N 106.962 7.706 V62H-N 111.465 6.892 D63H-N 123.393 8.391 D65H-N 114.412 7.805 G66H-N 108.182 8.414 N67H-N 119.544 8.219 N67HD21-ND2 117.282 8.246 N67HD22-ND2 117.282 7.012 L68H-N 126.11 10.565 H69H-N 107.272 9.052 H70H-N 117.501 6.941 G71H-N 107.193 8.568 N72H-N 124.267 10.564 N72HD21-ND2 108.684 6.31 N72HD22-ND2 108.684 7.181 A73H-N 124.474 9.066 K74H-N 118.919 8.24 D75H-N 118.206 8.072 F76H-N 120.554 8.287 A77H-N 119.886 8.231 M78H-N 116.197 8.308 K79H-N 121.098 8.248 H80H-N 113.785 6.807 G81H-N 103.704 7.165 A82H-N 122.806 8.047 D83H-N 119.861 7.702 E84H-N 119.454 8.799 T85H-N 114.497 7.893 M86H-N 123.919 8.552 A87H-N 120.029 8.914 Q88H-N 115.659 8.205 Q88HE21-NE2 116.357 7.943 Q88HE22-NE2 116.357 6.891 Q89H-N 119.334 8.209 Q89HE21-NE2 109.374 7.161 Q89HE22-NE2 109.374 6.625 L90H-N 117.907 8.468 V91H-N 118.27 7.726 D92H-N 120.589 8.797 I93H-N 122.238 8.629 I94H-N 120.819 8.24 H95H-N 119.559 9.377 G96H-N 106.338 8.549 C97H-N 121.751 8.278 E98H-N 122.238 8.869 K99H-N 117.281 7.988 S100H-N 112.08 7.714 A101H-N 127.239 7.269 N104H-N 121.401 8.243 N104HD21-ND2 114.194 8.307 N104HD22-ND2 114.194 6.737 D105H-N 124.693 8.704 D106H-N 119.797 8.557 K107H-N 126.267 8.851 C108H-N 119.31 8.503 M109H-N 116.835 7.169 K110H-N 121.547 8.057 T111H-N 113.41 7.528 I112H-N 120.937 7.225 D113H-N 118.254 7.021 V114H-N 121.535 8.434 A115H-N 122.217 9.358 M116H-N 115.119 8.828 C117H-N 122.801 7.859 F118H-N 124.105 9.005 K119H-N 119.474 8.811 K120H-N 117.4 7.941 E121H-N 119.314 8.014 I122H-N 120.313 8.209 H123H-N 119.876 8.495 K124H-N 121.528 7.882 L125H-N 117.734 7.259 N126H-N 112.832 7.842 N126HD21-ND2 111.864 7.429 N126HD22-ND2 111.864 6.786 W127H-N 117.588 7.519 W127HE1-NE1 126.352 9.831 V128H-N 124.389 7.713 N130H-N 119.07 8.298 N130HD21-ND2 112.006 7.549 N130HD22-ND2 112.006 6.89 M131H-N 121.486 8.364 D132H-N 120.612 8.287 L133H-N 121.77 7.945 V134H-N 122.473 8.122 I135H-N 125.14 8.203 G136H-N 112.668 8.321 E137H-N 120.733 8.128 V138H-N 121.98 8.179 L139H-N 126.804 8.29 A140H-N 125.233 8.171 E141H-N 120.934 8.28 V142H-N 124.761 7.65