Assignment w1 w2 M1H-N 124.23 9.027 I2H-N 119.558 8.797 V3H-N 128.542 8.644 I4H-N 127.771 8.47 S5H-N 113.989 8.561 H7H-N 114.055 8.02 V8H-N 120.36 7.438 A9H-N 130.292 8.358 I10H-N 120.089 8.881 D12H-N 121.124 8.592 G13H-N 102.929 8.549 E14H-N 118.296 7.679 L15H-N 119.675 7.659 E16H-N 121.878 8.477 I17H-N 129.285 8.973 T18H-N 122.478 9.301 A19H-N 127.137 8.577 I20H-N 122.236 8.249 R21H-N 125.936 8.497 A22H-N 126.725 8.511 Q23H-N 120.319 8.49 Q23HE21-NE2 112.449 6.845 Q23HE22-NE2 112.449 7.52 G24H-N 110.694 8.485 A25H-N 124.008 8.3 G26H-N 108.454 8.522 G27H-N 108.479 8.266 Q28H-N 119.532 8.255 Q28HE21-NE2 112.303 6.808 Q28HE22-NE2 112.303 7.489 V30H-N 120.292 7.888 N31H-N 121.472 8.612 N31HD21-ND2 112.921 6.936 N31HD22-ND2 112.921 7.605 K32H-N 121.146 8.267 T33H-N 113.985 8.089 S34H-N 119.19 8.45 T35H-N 115.002 8.259 A36H-N 125.571 8.13 I37H-N 118.824 8.47 H38H-N 127.085 9.188 L39H-N 128.907 9.313 R40H-N 126.222 9.122 R40HE-NE 84.602 7.36 F41H-N 125.249 9.286 D42H-N 129.366 9.044 I43H-N 125.925 7.823 R44H-N 118.762 8.537 R44HE-NE 84.708 7.237 A45H-N 119.163 7.304 S46H-N 114.465 7.015 S47H-N 115.307 10.3 L48H-N 121.545 7.548 E50H-N 125.219 9.174 Y51H-N 115.895 8.667 Y52H-N 117.02 7.173 K53H-N 117.947 7.803 E54H-N 115.641 8.511 R55H-N 116.875 7.202 L56H-N 118.431 8.032 L57H-N 115.523 8.225 A58H-N 119.157 7.251 A59H-N 120.957 7.099 S60H-N 115.627 8.5 H61H-N 126.378 8.594 L63H-N 122.94 10.308 I64H-N 118.271 7.758 S65H-N 123.91 9.049 D67H-N 117.492 8.013 G68H-N 108.979 8.197 V69H-N 120.112 7.675 I70H-N 128.715 9.095 V71H-N 127.208 7.945 I72H-N 127.201 9.058 K73H-N 126.67 8.525 A74H-N 128.778 9.188 Q75H-N 120.213 8.666 Q75HE21-NE2 111.673 6.795 Q75HE22-NE2 111.673 7.561 E76H-N 121.718 8.438 Y77H-N 117.44 8.844 S79H-N 111.089 7.141 Q80H-N 125.448 9.39 Q80HE21-NE2 111.56 6.896 Q80HE22-NE2 111.56 7.574 E81H-N 118.906 8.939 L82H-N 118.747 7.479 N83H-N 119.014 7.961 N83HD21-ND2 115.253 6.842 N83HD22-ND2 115.253 7.533 R84H-N 123.267 8.91 R84HE-NE 83.85 7.401 E85H-N 117.163 7.713 A86H-N 121.835 7.939 A87H-N 121.964 8.436 L88H-N 117.351 7.989 A89H-N 120.564 8.152 R90H-N 119.667 8.136 L91H-N 121.942 7.985 V92H-N 117.831 8.136 A93H-N 119.709 7.98 M94H-N 117.983 8.119 I95H-N 119.395 8.183 K96H-N 120.998 8.49 E97H-N 119.575 8.211 L98H-N 115.294 7.951 T99H-N 125.508 7.444 T100H-N 116.774 7.313 E101H-N 125.589 8.596 K102H-N 123.846 8.497 K103H-N 122.552 8.338 A104H-N 125.394 8.306 R105H-N 121.05 8.327 R106H-N 123.882 8.408 T108H-N 115.242 8.31 R109H-N 123.306 8.391 S110H-N 117.327 8.391 G111H-N 110.689 8.262 S113H-N 116.204 8.535 S114H-N 117.464 8.326 G115H-N 110.595 8.401 E116H-N 120.336 8.239 N117H-N 119.274 8.448 N117HD21-ND2 112.921 6.883 N117HD22-ND2 112.921 7.525 L118H-N 122.037 8.048 Y119H-N 119.525 7.975 F120H-N 121.291 8.0 Q121H-N 126.042 7.758 Q121HE21-NE2 112.43 6.854 Q121HE22-NE2 112.43 7.489