Assignment w1 w2 H3H-N 119.681 8.17 M4H-N 122.611 8.612 F5H-N 120.914 8.018 E6H-N 127.454 8.097 A7H-N 129.097 8.357 R8H-N 124.782 8.601 L9H-N 130.723 9.656 V10H-N 126.866 8.911 Q11H-N 119.215 7.922 Q11HE21-NE2 112.335 7.379 Q11HE22-NE2 112.335 6.761 G12H-N 111.749 8.056 S13H-N 114.64 8.349 I14H-N 122.087 7.811 L15H-N 118.018 7.195 K16H-N 117.233 7.124 K17H-N 117.743 7.921 V18H-N 120.988 8.29 L19H-N 120.964 7.802 E20H-N 118.419 7.821 A21H-N 119.452 7.418 L22H-N 119.048 7.604 K23H-N 116.006 7.628 D24H-N 119.976 8.671 L25H-N 120.655 7.453 I26H-N 115.24 7.87 N27H-N 118.713 8.403 N27HD21-ND2 113.814 7.604 N27HD22-ND2 113.814 6.83 E28H-N 117.444 7.643 A29H-N 120.981 8.633 C30H-N 120.41 8.887 W31H-N 131.308 9.602 W31HE1-NE1 130.62 9.667 D32H-N 126.826 9.164 I33H-N 128.224 9.058 S34H-N 121.738 8.781 G37H-N 111.711 7.617 V38H-N 119.975 8.817 N39H-N 125.606 9.007 N39HD21-ND2 114.835 7.556 N39HD22-ND2 114.835 6.619 L40H-N 123.402 8.556 Q41H-N 126.517 8.849 Q41HE21-NE2 111.816 7.381 Q41HE22-NE2 111.816 6.761 S42H-N 118.223 8.353 M43H-N 125.904 8.968 D44H-N 120.503 8.216 S45H-N 118.766 9.382 S46H-N 119.862 8.299 H47H-N 121.983 8.87 V48H-N 125.262 8.248 S49H-N 115.587 8.666 L50H-N 122.047 8.516 V51H-N 124.163 9.036 Q52H-N 125.639 9.096 Q52HE21-NE2 114.293 7.037 Q52HE22-NE2 114.293 6.936 L53H-N 129.779 9.264 T54H-N 123.241 8.321 L55H-N 125.017 8.733 R56H-N 123.962 9.038 S57H-N 118.916 8.042 E58H-N 120.15 8.884 G59H-N 105.989 8.034 F60H-N 118.884 7.554 D61H-N 124.397 8.681 T62H-N 109.203 7.664 Y63H-N 126.147 8.63 R64H-N 130.951 8.419 C65H-N 126.088 8.941 D66H-N 128.846 8.772 R67H-N 117.199 7.697 N68H-N 119.981 8.094 N68HD21-ND2 112.493 7.342 N68HD22-ND2 112.493 6.882 L69H-N 123.26 8.599 A70H-N 127.509 8.309 M71H-N 121.636 8.806 G72H-N 115.684 9.357 V73H-N 123.09 8.679 N74H-N 123.697 8.538 L75H-N 127.981 8.844 T76H-N 119.467 8.154 M78H-N 120.429 8.157 S79H-N 113.669 8.385 K80H-N 121.591 7.45 I81H-N 117.05 7.207 L82H-N 119.624 8.096 K83H-N 119.508 7.502 C84H-N 116.402 7.572 A85H-N 124.345 7.039 G86H-N 113.268 9.016 E88H-N 117.15 8.595 D89H-N 121.54 6.867 I90H-N 122.029 8.524 I91H-N 128.597 8.618 T92H-N 125.38 9.458 L93H-N 126.12 8.901 R94H-N 120.194 8.829 A95H-N 124.103 8.713 E96H-N 122.135 8.839 D97H-N 120.988 8.46 N98H-N 118.52 8.431 N98HD21-ND2 113.81 7.484 N98HD22-ND2 113.81 6.709 A99H-N 121.011 7.61 D100H-N 118.174 8.432 T101H-N 109.64 7.255 L102H-N 123.773 8.601 A103H-N 129.443 8.855 L104H-N 121.112 8.731 V105H-N 122.972 8.957 F106H-N 127.277 9.297 E107H-N 126.89 9.477 A108H-N 128.249 7.775 N110H-N 114.464 8.211 Q111H-N 114.312 7.975 Q111HE22-NE2 112.649 6.797 E112H-N 120.669 8.684 K113H-N 121.956 7.298 V114H-N 126.363 8.494 S115H-N 123.688 8.92 D116H-N 123.677 9.087 Y117H-N 121.191 9.122 E118H-N 122.269 8.762 M119H-N 123.091 8.988 K120H-N 124.98 8.219 L121H-N 124.537 7.985 M122H-N 117.901 8.528 L124H-N 122.175 8.161 D125H-N 124.539 8.543 V126H-N 124.284 8.256 E127H-N 126.135 8.695 Q128H-N 124.294 9.204 Q128HE21-NE2 111.808 7.013 Q128HE22-NE2 111.808 6.703 L129H-N 121.759 8.578 G130H-N 110.807 8.415 I131H-N 128.115 7.87 E133H-N 120.575 8.373 Q134H-N 122.129 7.894 Q134HE21-NE2 110.328 6.846 Q134HE22-NE2 110.328 6.408 E135H-N 121.152 8.041 Y136H-N 123.599 8.537 S137H-N 119.902 8.763 C138H-N 119.007 8.806 V139H-N 125.674 8.684 V140H-N 130.01 9.429 K141H-N 129.253 8.871 M142H-N 119.36 8.6 S144H-N 124.855 8.994 G145H-N 113.341 9.362 E146H-N 122.177 6.907 F147H-N 119.633 7.424 A148H-N 118.628 7.836 R149H-N 119.985 7.592 I150H-N 120.112 7.896 C151H-N 114.543 7.101 R152H-N 121.549 7.529 D153H-N 124.004 8.927 L154H-N 115.563 8.113 S155H-N 114.873 7.282 H156H-N 118.854 7.468 I157H-N 117.114 7.627 G158H-N 104.174 7.604 D159H-N 114.117 8.149 A160H-N 125.49 7.962 V161H-N 120.672 9.436 V162H-N 129.156 9.424 I163H-N 130.837 9.617 S164H-N 120.917 8.988 C165H-N 125.001 8.675 A166H-N 130.022 8.401 D168H-N 112.337 8.138 G169H-N 108.421 7.489 V170H-N 119.542 8.531 K171H-N 128.798 8.739 F172H-N 124.089 9.337 S173H-N 118.502 9.091 A174H-N 124.368 8.973 S175H-N 115.686 8.779 G176H-N 112.136 8.44 L178H-N 116.092 8.633 G179H-N 106.213 7.411 N180H-N 116.831 8.427 N180HD21-ND2 115.749 7.566 N180HD22-ND2 115.749 6.913 G181H-N 106.937 8.789 N182H-N 119.822 8.407 N182HD21-ND2 118.359 7.788 N182HD22-ND2 118.359 6.626 I183H-N 123.985 9.508 K184H-N 128.293 8.976 L185H-N 127.511 9.077 S186H-N 118.33 7.983 Q187H-N 121.366 8.13 Q187HE21-NE2 111.971 7.557 Q187HE22-NE2 111.971 6.731 T188H-N 120.383 8.776 V191H-N 119.824 7.949 D192H-N 123.609 8.376 K193H-N 119.827 7.645 E194H-N 125.542 8.659 E195H-N 117.416 9.068 E196H-N 118.238 7.735 A197H-N 123.028 7.311 V198H-N 122.061 8.415 T199H-N 120.351 8.996 I200H-N 125.05 8.531 E201H-N 130.03 8.887 M202H-N 125.982 8.756 N203H-N 123.489 9.053 N203HD21-ND2 114.665 7.419 N203HD22-ND2 114.665 6.979 E204H-N 118.683 7.395 V206H-N 116.074 7.214 Q207H-N 124.389 8.211 Q207HE21-NE2 112.525 7.342 Q207HE22-NE2 112.525 6.637 L208H-N 128.451 8.698 T209H-N 116.42 8.003 F210H-N 121.062 9.092 A211H-N 124.261 9.459 L212H-N 127.102 8.097 Y214H-N 113.027 6.314 L215H-N 117.703 6.429 N216H-N 112.131 7.51 N216HD21-ND2 111.665 6.827 N216HD22-ND2 111.665 6.133 F217H-N 118.518 7.127 F218H-N 122.95 7.8 T219H-N 102.66 7.651 K220H-N 126.465 7.771 A221H-N 120.453 7.982 L224H-N 116.334 8.343 S225H-N 109.173 7.406 T227H-N 115.274 7.946 V228H-N 123.589 9.122 T229H-N 119.29 7.577 L230H-N 128.962 9.538 S231H-N 119.483 8.652 M232H-N 120.124 8.862 S233H-N 119.536 9.445 A234H-N 123.232 8.801 D235H-N 114.579 7.945 V236H-N 110.555 7.092 L238H-N 128.486 8.045 V239H-N 122.346 7.808 V240H-N 129.813 9.242 E241H-N 126.517 8.712 Y242H-N 127.479 9.14 K243H-N 124.92 8.585 I244H-N 123.48 7.89 A245H-N 130.774 8.835 D246H-N 121.457 8.428 M247H-N 116.655 8.602 G248H-N 106.27 7.729 H249H-N 119.437 8.516 L250H-N 123.31 8.937 K251H-N 125.086 9.039 Y252H-N 121.102 9.013 Y253H-N 120.391 9.687 L254H-N 121.244 8.707 A255H-N 132.383 8.643 K257H-N 119.691 8.25 I258H-N 129.407 8.683 E259H-N 125.272 8.632 D260H-N 122.111 8.423 E261H-N 121.73 8.27 E262H-N 122.41 8.377 G263H-N 110.967 8.307 S264H-N 121.832 7.779