Assignment w1 w2 A2H-N 129.205 6.785 C3H-N 112.233 7.83 K4H-N 121.241 10.005 T5H-N 109.498 8.808 A6H-N 123.481 8.68 N7H-N 112.923 8.147 N7HD21-ND2 112.576 7.085 N7HD22-ND2 112.576 7.834 G8H-N 107.714 8.085 T9H-N 118.381 7.783 A10H-N 128.105 8.749 I11H-N 120.607 8.451 I13H-N 115.703 7.777 G14H-N 116.208 8.259 G15H-N 108.744 7.626 G16H-N 104.064 7.559 S17H-N 115.537 8.343 A18H-N 122.157 8.54 N19H-N 119.045 8.695 N19HD21-ND2 112.508 6.959 N19HD22-ND2 112.508 7.414 V20H-N 124.167 9.511 Y21H-N 128.439 8.883 V22H-N 116.114 8.748 N23H-N 124.267 8.918 N23HD21-ND2 114.465 7.099 N23HD22-ND2 114.465 7.656 L24H-N 124.567 9.095 A25H-N 128.9 7.909 V27H-N 118.074 7.35 V28H-N 126.492 8.638 N29H-N 121.575 8.115 N29HD21-ND2 111.558 7.331 N29HD22-ND2 111.558 6.834 V30H-N 119.467 8.619 G31H-N 115.204 8.804 Q32H-N 119.915 8.121 Q32HE21-NE2 113.157 6.927 Q32HE22-NE2 113.157 7.665 N33H-N 116.753 8.526 N33HD21-ND2 112.038 7.468 N33HD22-ND2 112.038 6.888 L34H-N 126.347 9.849 V35H-N 127.499 8.636 V36H-N 129.143 8.947 D37H-N 126.526 8.995 L38H-N 125.426 8.508 S39H-N 120.274 8.722 T40H-N 105.559 6.657 Q41H-N 117.277 7.583 Q41HE21-NE2 112.416 7.488 Q41HE22-NE2 112.416 6.809 I42H-N 118.052 7.214 F43H-N 123.479 8.554 C44H-N 117.985 9.198 H45H-N 112.466 7.449 N46H-N 118.642 7.765 D47H-N 123.392 9.016 Y48H-N 118.785 9.173 E50H-N 118.686 9.03 T51H-N 106.037 7.523 I52H-N 123.927 8.286 T53H-N 124.062 8.511 D54H-N 124.873 6.898 Y55H-N 121.043 8.799 V56H-N 121.414 9.27 T57H-N 123.63 9.646 L58H-N 120.293 7.43 Q59H-N 130.943 9.225 Q59HE21-NE2 108.61 7.234 Q59HE22-NE2 108.61 6.606 R60H-N 112.723 7.131 R60HE-NE 84.239 7.137 G61H-N 112.665 9.333 S62H-N 122.205 9.152 A63H-N 125.841 8.136 Y64H-N 116.071 7.638 G65H-N 108.346 8.949 G66H-N 114.611 9.659 V67H-N 119.67 7.67 L68H-N 118.736 6.569 S69H-N 109.241 7.893 N70H-N 114.221 8.111 N70HD21-ND2 116.99 7.352 N70HD22-ND2 116.99 7.913 F71H-N 116.962 7.868 S72H-N 115.293 9.201 G73H-N 109.589 8.94 T74H-N 111.794 8.7 V75H-N 119.668 9.58 K76H-N 128.201 9.491 Y77H-N 125.499 9.37 S78H-N 125.296 8.876 G79H-N 105.164 8.731 S80H-N 117.151 7.51 S81H-N 117.981 8.316 Y82H-N 123.68 9.22 F84H-N 119.334 7.509 T86H-N 113.568 8.348 T87H-N 110.142 8.783 S88H-N 116.141 7.69 E89H-N 124.46 8.414 T90H-N 116.892 7.582 R92H-N 117.503 8.216 R92HE-NE 83.538 6.908 V93H-N 121.222 9.229 V94H-N 125.527 8.509 Y95H-N 126.333 9.137 N96H-N 124.308 9.169 N96HD21-ND2 110.51 7.634 N96HD22-ND2 110.51 6.873 S97H-N 109.603 7.41 R98H-N 128.856 9.424 R98HE-NE 84.771 7.062 T99H-N 117.028 8.321 D100H-N 126.288 8.48 K101H-N 124.544 9.391 W103H-N 128.363 8.347 W103HE1-NE1 128.029 9.047 V105H-N 125.692 8.095 A106H-N 125.892 8.375 L107H-N 120.045 8.654 Y108H-N 123.228 8.952 L109H-N 124.946 9.024 T110H-N 120.327 9.654 V112H-N 118.273 8.096 S113H-N 114.823 8.331 S114H-N 112.714 7.729 A115H-N 125.999 7.744 G116H-N 106.479 8.125 G117H-N 111.525 8.656 V118H-N 122.535 8.633 A119H-N 134.651 9.101 I120H-N 115.609 7.63 K121H-N 125.54 8.427 A122H-N 128.95 9.838 G123H-N 111.821 9.06 S124H-N 114.984 8.081 L125H-N 123.897 8.254 I126H-N 119.644 9.088 A127H-N 120.238 7.72 V128H-N 119.068 8.548 L129H-N 128.585 9.413 I130H-N 121.746 9.091 L131H-N 134.66 9.363 R132H-N 130.027 9.053 R132HE-NE 86.436 8.577 Q133H-N 132.787 9.483 Q133HE21-NE2 110.218 7.021 Q133HE22-NE2 110.218 6.077 T134H-N 117.823 8.878 N135H-N 117.77 9.796 N135HD21-ND2 116.811 7.777 N135HD22-ND2 116.811 7.651 N136H-N 115.954 8.343 N136HD21-ND2 112.342 7.176 N136HD22-ND2 112.342 7.783 Y137H-N 123.044 9.228 N138H-N 121.276 9.423 N138HD21-ND2 111.411 7.709 N138HD22-ND2 111.411 6.979 S139H-N 111.667 7.863 D140H-N 124.146 7.753 D141H-N 121.767 6.69 F142H-N 123.256 8.995 Q143H-N 118.106 8.839 Q143HE21-NE2 112.012 7.774 Q143HE22-NE2 112.012 6.619 F144H-N 127.326 9.942 V145H-N 125.243 8.788 W146H-N 126.72 8.783 W146HE1-NE1 122.61 7.086 N147H-N 124.967 9.019 N147HD21-ND2 110.623 6.312 N147HD22-ND2 110.623 6.679 I148H-N 124.552 9.237 Y149H-N 127.261 9.327 A150H-N 122.292 8.58 N151H-N 120.099 9.137 N151HD21-ND2 109.484 6.569 N151HD22-ND2 109.484 7.401 N152H-N 110.832 7.39 N152HD21-ND2 115.002 7.172 N152HD22-ND2 115.002 7.252 D153H-N 117.141 8.483 V154H-N 121.142 8.841 V155H-N 128.342 8.71 V156H-N 126.974 8.513 T158H-N 118.853 7.728