Assignment w1 w2 H3H-N 120.227 8.478 M4H-N 123.063 8.302 R5H-N 122.774 8.419 D6H-N 122.18 8.338 S7H-N 116.934 8.247 T8H-N 116.123 8.243 E9H-N 124.059 8.167 C10H-N 119.685 8.216 Q11H-N 122.293 8.353 Q11HE21-NE2 112.671 6.738 Q11HE22-NE2 112.671 7.416 R12H-N 123.515 8.34 R12HE-NE 110.862 7.177 I13H-N 124.829 8.893 I14H-N 126.306 8.456 R15H-N 128.335 8.829 R16H-N 121.524 8.959 R16HE-NE 111.449 8.631 G17H-N 129.335 7.971 V18H-N 126.822 8.311 N19H-N 126.931 8.821 N19HD21-ND2 113.201 6.913 N19HD22-ND2 113.201 6.637 C20H-N 125.721 8.813 L21H-N 126.253 8.893 M22H-N 122.546 8.526 L23H-N 125.445 9.618 K25H-N 121.047 8.173 G26H-N 109.976 8.674 M27H-N 119.771 7.564 Q28H-N 125.598 8.891 Q28HE21-NE2 112.577 6.78 Q28HE22-NE2 112.577 7.395 R29H-N 119.188 9.004 R29HE-NE 108.518 6.426 S30H-N 108.409 6.733 S31H-N 116.149 7.788 Q32H-N 119.346 7.688 Q32HE21-NE2 111.084 6.622 Q32HE22-NE2 111.084 7.303 N33H-N 114.573 7.029 N33HD21-ND2 115.103 6.674 N33HD22-ND2 115.103 9.529 R34H-N 128.151 8.346 S35H-N 121.559 8.026 K36H-N 122.384 7.955 W37H-N 120.381 8.313 W37HE1-NE1 129.538 10.236 D38H-N 130.794 8.328 K39H-N 126.233 8.543 T40H-N 114.915 8.153 M41H-N 119.326 7.835 D42H-N 120.802 8.013 L43H-N 113.013 6.637 F44H-N 124.283 8.254 V45H-N 119.539 7.859 W46H-N 121.043 9.192 W46HE1-NE1 131.16 11.336 S47H-N 118.185 7.823 V48H-N 119.039 8.418 E49H-N 126.7 8.695 W50H-N 130.959 9.396 W50HE1-NE1 127.108 9.497 I51H-N 122.162 9.065 L52H-N 128.322 9.69 C53H-N 122.834 8.903 M55H-N 119.791 8.774 Q56H-N 125.297 8.37 Q56HE21-NE2 112.694 6.895 Q56HE22-NE2 112.694 7.913 E57H-N 123.158 8.637 K58H-N 121.887 8.413 G59H-N 110.952 8.405 E60H-N 121.175 7.922 K61H-N 124.468 8.465 K62H-N 125.57 8.587 E63H-N 122.021 8.25 L64H-N 120.234 8.198 F65H-N 123.247 8.245 K66H-N 126.876 7.873 H67H-N 122.36 8.91 V68H-N 128.476 7.806 S69H-N 124.653 9.065 H70H-N 118.863 8.294 R71H-N 116.542 9.329 I72H-N 122.239 8.809 K73H-N 128.981 8.924 E74H-N 117.645 8.584 T75H-N 131.584 6.842 D76H-N 124.262 7.77 F77H-N 120.854 8.754 L78H-N 125.677 9.972 V79H-N 112.421 8.651 Q80H-N 118.909 7.505 Q80HE21-NE2 112.775 6.775 Q80HE22-NE2 112.775 7.614 G81H-N 131.675 8.073 M82H-N 120.213 7.245 G83H-N 109.413 7.756 K84H-N 121.591 8.612 N85H-N 117.0 8.483 N85HD21-ND2 112.31 6.168 N85HD22-ND2 112.31 7.493 V86H-N 121.767 7.427 F87H-N 121.403 8.063 Q88H-N 119.388 8.56 Q88HE21-NE2 112.361 6.757 Q88HE22-NE2 112.361 7.47 K89H-N 120.307 7.156 C90H-N 118.159 7.878 C91H-N 118.37 7.65 E92H-N 119.642 7.503 F93H-N 118.988 8.765 Y94H-N 114.308 7.689 R95H-N 116.758 7.378 L96H-N 116.534 7.443 A97H-N 124.667 8.293 G98H-N 107.204 8.081 T99H-N 112.671 8.111 S100H-N 118.318 8.596 S101H-N 117.756 8.304 C102H-N 120.827 8.157 I103H-N 122.845 8.064 E104H-N 124.063 8.327 G105H-N 110.451 8.201 E106H-N 120.96 8.175 D107H-N 121.695 8.437 G108H-N 110.472 8.345 S109H-N 116.735 8.322 E110H-N 123.073 8.703 T111H-N 114.304 8.032 K112H-N 122.454 8.263 E113H-N 121.502 8.494 E114H-N 121.484 8.04 R115H-N 118.243 8.082 R115HE-NE 110.641 6.631 T116H-N 115.469 7.918 Q117H-N 120.945 7.78 Q117HE21-NE2 112.351 6.72 Q117HE22-NE2 112.351 7.414 I118H-N 119.595 8.023 L119H-N 119.056 8.236 Q120H-N 122.993 9.072 Q120HE21-NE2 110.653 6.556 Q120HE22-NE2 110.653 6.712 K121H-N 118.189 7.822 S122H-N 113.901 7.441 G123H-N 108.675 7.705 L124H-N 121.21 7.583 K125H-N 121.653 7.9 F126H-N 117.758 8.085 Y127H-N 119.18 9.618 T128H-N 113.693 8.936 K129H-N 122.628 8.025 T130H-N 116.527 8.17 F131H-N 126.121 8.199 Y133H-N 123.884 8.543 N134H-N 119.85 8.301 N134HD21-ND2 112.167 6.689 N134HD22-ND2 112.167 7.403 T135H-N 114.981 7.399 T136H-N 115.3 8.269 H137H-N 119.693 7.725 I138H-N 120.471 8.191 M139H-N 123.249 7.522 D140H-N 121.034 8.422 S141H-N 115.522 8.081 K142H-N 126.293 8.571 K143H-N 120.405 7.865 L144H-N 122.622 8.83 V145H-N 113.23 8.886 E146H-N 125.278 8.824 L147H-N 126.913 8.897 A148H-N 129.95 8.494 I149H-N 114.097 7.342 H150H-N 120.461 8.744 E151H-N 117.564 7.663 K152H-N 115.964 7.111 C153H-N 116.944 8.187 I154H-N 120.592 8.661 G155H-N 107.952 8.978 E156H-N 120.44 7.176 L157H-N 120.622 8.078 L158H-N 112.992 7.477 K159H-N 121.628 6.949 N160H-N 115.641 8.578 N160HD21-ND2 114.52 6.894 N160HD22-ND2 114.52 7.595 T161H-N 111.337 7.874 T162H-N 117.355 8.173 V163H-N 116.149 8.477 I164H-N 122.968 8.588 E165H-N 122.226 8.91 F166H-N 118.984 9.169 T168H-N 118.785 8.457 I169H-N 130.447 9.339 F170H-N 125.68 9.418 V171H-N 124.303 9.206 A172H-N 125.811 8.627 M173H-N 122.638 10.216 T174H-N 132.178 7.113 E175H-N 122.76 8.722 A176H-N 121.257 7.887 D177H-N 116.75 7.253 L178H-N 121.006 7.058 E180H-N 122.267 8.41 G181H-N 113.3 8.732 Y182H-N 118.7 7.413 E183H-N 121.62 8.306 V184H-N 124.673 8.512 L185H-N 129.253 8.941 H186H-N 123.217 8.659 Q187H-N 123.059 8.526 Q187HE21-NE2 113.056 6.787 Q187HE22-NE2 113.056 7.573 E188H-N 128.522 8.145