Assignment w1 w2 S2H-N 113.111 8.07 S4H-N 113.605 7.839 G5H-N 107.049 8.362 A6H-N 125.247 8.642 A7H-N 120.097 8.399 I8H-N 125.544 9.34 F9H-N 128.883 8.475 E10H-N 126.42 8.773 K11H-N 105.917 7.916 V12H-N 123.709 7.918 S13H-N 121.991 8.888 G14H-N 113.244 8.304 I15H-N 123.197 8.314 I16H-N 127.746 9.426 A17H-N 127.83 8.977 I18H-N 122.279 8.691 N19H-N 127.574 9.378 N19HD21-ND2 110.833 6.853 N19HD22-ND2 110.833 7.708 E20H-N 121.613 9.044 D21H-N 121.1 8.721 V22H-N 113.108 6.836 S23H-N 114.997 8.049 A25H-N 120.437 7.953 E26H-N 115.449 7.854 L27H-N 124.591 8.889 T28H-N 121.619 9.268 W29H-N 128.87 9.454 W29HE1-NE1 126.239 9.477 R30H-N 126.363 7.612 R30HE-NE 84.796 7.136 S31H-N 118.482 8.089 T32H-N 119.022 8.549 D33H-N 117.337 8.218 G34H-N 109.196 7.93 D35H-N 118.054 8.253 K36H-N 120.364 7.76 V37H-N 121.849 8.528 H38H-N 126.573 9.657 T39H-N 124.119 8.314 V40H-N 126.09 9.377 V41H-N 129.81 9.043 L42H-N 130.132 9.19 S43H-N 109.709 6.963 T44H-N 110.348 7.649 I45H-N 120.945 7.117 D46H-N 126.345 9.322 K47H-N 112.561 7.586 L48H-N 122.524 8.701 Q49H-N 123.34 9.269 Q49HE21-NE2 111.69 6.931 Q49HE22-NE2 111.69 7.541 A50H-N 125.14 8.861 T51H-N 113.477 8.231 S54H-N 107.282 7.608 S55H-N 117.035 7.635 E56H-N 125.558 8.92 K57H-N 118.954 8.062 M58H-N 124.358 8.832 M59H-N 121.603 8.381 L60H-N 119.533 9.077 R61H-N 122.165 9.42 L62H-N 126.615 9.346 I63H-N 123.626 8.949 G64H-N 115.586 9.322 K65H-N 119.518 8.366 V66H-N 122.039 8.619 D67H-N 125.472 8.468 E68H-N 124.47 8.741 S69H-N 115.73 8.49 K70H-N 121.828 7.72 K71H-N 121.138 7.795 R72H-N 122.17 8.411 K73H-N 121.412 8.403 D74H-N 121.975 8.566 N75H-N 116.374 8.413 N75HD21-ND2 113.195 7.648 N75HD22-ND2 113.195 6.948 E76H-N 119.105 8.17 G77H-N 108.193 8.124 N78H-N 119.824 8.542 N78HD21-ND2 116.895 7.053 N78HD22-ND2 116.895 8.199 E79H-N 121.692 8.678 V80H-N 123.842 8.539 V81H-N 126.47 8.38 K83H-N 121.862 8.319 Q85H-N 121.258 8.487 Q85HE21-NE2 112.746 7.035 Q85HE22-NE2 112.746 7.619 R86H-N 121.011 8.229 H87H-N 120.941 8.663 M88H-N 125.858 8.633 F89H-N 122.319 9.002 S90H-N 116.248 8.686 F91H-N 120.208 8.861 N92H-N 115.969 9.112 N92HD21-ND2 111.291 6.805 N92HD22-ND2 111.291 7.596 N93H-N 118.54 7.27 N93HD21-ND2 113.946 7.903 N93HD22-ND2 113.946 7.206 R94H-N 129.173 9.316 T95H-N 115.657 7.982 V96H-N 121.812 7.574 M97H-N 117.484 7.332 D98H-N 118.072 8.687 N99H-N 120.254 8.102 N99HD21-ND2 111.583 6.954 N99HD22-ND2 111.583 7.436 I100H-N 121.003 8.06 K101H-N 120.681 8.904 M102H-N 116.956 8.035 T103H-N 118.109 7.715 L104H-N 119.326 8.555 Q105H-N 118.089 8.715 Q105HE21-NE2 111.393 6.815 Q105HE22-NE2 111.393 7.38 Q106H-N 118.229 7.611 Q106HE21-NE2 111.211 6.847 Q106HE22-NE2 111.211 7.361 I107H-N 120.344 7.826 I108H-N 117.38 8.741 S109H-N 114.42 7.858 R110H-N 121.165 7.561 R110HE-NE 84.823 7.064 Y111H-N 117.191 7.456 K112H-N 120.991 7.774 D113H-N 120.787 8.299 A114H-N 123.604 8.038 D115H-N 119.283 8.223 G4H-N 108.831 8.33 Y5H-N 120.531 7.993 N7H-N 118.189 8.435 N7HD21-ND2 112.722 6.924 N7HD22-ND2 112.722 7.615 G8H-N 108.937 8.315 L9H-N 121.388 8.022 L10H-N 122.306 8.212 S11H-N 116.4 8.358 G12H-N 111.162 8.506 D13H-N 120.367 8.21 E14H-N 120.562 8.481 D15H-N 120.261 8.2 F16H-N 120.629 8.141 S17H-N 116.182 8.245 S18H-N 117.392 8.238 I19H-N 121.739 7.943 A20H-N 126.303 8.163 D21H-N 118.615 8.101 M22H-N 119.677 8.044 D23H-N 120.848 8.208 F24H-N 121.509 8.239 S25H-N 116.108 8.261 A26H-N 125.073 8.082 L27H-N 119.451 7.857 L28H-N 120.507 7.897 S29H-N 114.914 8.002 Q30H-N 121.506 8.172 Q30HE21-NE2 112.147 6.826 Q30HE22-NE2 112.147 7.481 I31H-N 121.116 8.063 S32H-N 120.14 8.321 S33H-N 123.538 8.001