Assignment w1 w2 A2H-N 129.155 6.72 C3H-N 112.134 7.746 K4H-N 121.144 9.926 T5H-N 109.346 8.718 A6H-N 123.362 8.6 N7H-N 112.741 8.052 N7HD21-ND2 112.521 7.758 N7HD22-ND2 112.521 7.024 G8H-N 107.654 8.003 T9H-N 118.164 7.693 A10H-N 127.939 8.667 I11H-N 120.571 8.375 I13H-N 115.57 7.689 G14H-N 116.116 8.182 G15H-N 108.654 7.538 G16H-N 103.994 7.476 S17H-N 115.468 8.267 A18H-N 122.07 8.46 N19H-N 118.937 8.614 N19HD21-ND2 112.408 6.88 N19HD22-ND2 112.408 7.323 V20H-N 124.114 9.431 Y21H-N 128.367 8.789 V22H-N 115.991 8.662 N23H-N 124.153 8.824 N23HD21-ND2 114.326 7.022 N23HD22-ND2 114.326 7.576 L24H-N 124.471 9.024 A25H-N 128.756 7.817 V27H-N 118.046 7.274 V28H-N 126.492 8.547 N29H-N 121.435 8.063 N29HD21-ND2 111.824 7.241 N29HD22-ND2 111.824 6.779 V30H-N 119.133 8.413 G31H-N 114.99 8.763 Q32H-N 119.751 8.022 Q32HE21-NE2 113.092 6.866 Q32HE22-NE2 113.092 7.597 N33H-N 116.701 8.455 N33HD21-ND2 111.891 7.389 N33HD22-ND2 111.891 6.822 L34H-N 126.227 9.764 V35H-N 127.439 8.554 V36H-N 129.056 8.865 D37H-N 126.471 8.907 L38H-N 125.237 8.435 S39H-N 120.228 8.646 T40H-N 105.445 6.581 Q41H-N 117.168 7.499 Q41HE21-NE2 112.217 6.729 Q41HE22-NE2 112.217 7.38 I42H-N 118.031 7.137 F43H-N 123.407 8.479 C44H-N 117.98 9.118 H45H-N 112.619 7.383 N46H-N 118.436 7.689 D47H-N 123.214 8.927 Y48H-N 118.8 9.098 E50H-N 118.616 8.954 T51H-N 105.965 7.447 I52H-N 123.923 8.21 T53H-N 123.946 8.427 D54H-N 124.912 6.836 Y55H-N 120.952 8.733 V56H-N 121.366 9.186 T57H-N 123.562 9.572 L58H-N 120.246 7.346 Q59H-N 130.874 9.143 Q59HE21-NE2 108.481 7.152 Q59HE22-NE2 108.481 6.529 R60H-N 112.69 7.051 G61H-N 112.63 9.253 S62H-N 122.131 9.072 A63H-N 125.762 8.059 Y64H-N 116.054 7.557 G65H-N 108.217 8.869 G66H-N 114.428 9.571 V67H-N 119.579 7.598 L68H-N 118.609 6.491 S69H-N 109.098 7.797 N70H-N 114.099 8.023 N70HD21-ND2 117.138 7.872 N70HD22-ND2 117.138 7.281 F71H-N 116.912 7.782 S72H-N 115.214 9.12 G73H-N 109.593 8.868 T74H-N 111.776 8.619 V75H-N 119.669 9.501 K76H-N 128.126 9.406 Y77H-N 125.385 9.289 S78H-N 125.202 8.8 S80H-N 117.153 7.429 S81H-N 117.966 8.25 Y82H-N 123.636 9.14 F84H-N 119.228 7.424 T86H-N 113.513 8.268 T87H-N 110.066 8.706 S88H-N 116.089 7.61 E89H-N 124.387 8.338 T90H-N 116.842 7.5 R92H-N 117.423 8.147 V93H-N 121.163 9.153 V94H-N 125.334 8.422 Y95H-N 126.315 9.07 S97H-N 109.609 7.328 T99H-N 117.049 8.267 D100H-N 126.184 8.392 K101H-N 124.488 9.309 W103H-N 128.228 8.265 W103HE1-NE1 127.951 8.969 V105H-N 125.652 8.017 A106H-N 125.856 8.294 L107H-N 119.996 8.567 Y108H-N 123.117 8.871 L109H-N 124.85 8.947 T110H-N 120.308 9.581 V112H-N 117.994 7.988 S113H-N 114.957 8.285 S114H-N 112.671 7.635 A115H-N 126.161 7.72 G116H-N 106.324 8.061 G117H-N 111.594 8.612 V118H-N 122.311 8.563 A119H-N 134.777 9.024 I120H-N 115.525 7.539 K121H-N 125.381 8.335 A122H-N 128.993 9.77 G123H-N 111.804 8.976 S124H-N 114.875 7.997 L125H-N 123.719 8.182 I126H-N 119.63 9.016 A127H-N 120.143 7.631 V128H-N 118.998 8.473 L129H-N 128.491 9.334 I130H-N 121.695 9.004 L131H-N 134.61 9.284 R132H-N 129.932 8.975 Q133H-N 132.708 9.403 Q133HE21-NE2 110.161 6.01 Q133HE22-NE2 110.161 6.922 T134H-N 117.756 8.795 N135H-N 117.675 9.716 N135HD21-ND2 116.713 7.715 N135HD22-ND2 116.713 7.559 N136H-N 115.866 8.263 N136HD21-ND2 112.158 7.094 N136HD22-ND2 112.158 7.701 Y137H-N 122.996 9.152 N138H-N 121.334 9.352 N138HD21-ND2 111.295 6.906 N138HD22-ND2 111.295 7.625 S139H-N 111.578 7.778 D140H-N 124.119 7.675 D141H-N 121.697 6.605 F142H-N 123.16 8.915 Q143H-N 118.031 8.761 Q143HE21-NE2 112.17 6.534 Q143HE22-NE2 112.17 7.684 F144H-N 127.27 9.863 V145H-N 125.147 8.708 W146H-N 126.648 8.701 W146HE1-NE1 122.557 7.009 N147H-N 124.87 8.935 N147HD21-ND2 110.551 6.599 N147HD22-ND2 110.551 6.226 I148H-N 124.491 9.156 Y149H-N 127.266 9.248 A150H-N 122.228 8.496 N151H-N 119.998 9.051 N151HD21-ND2 109.287 6.475 N151HD22-ND2 109.287 7.318 N152H-N 110.829 7.313 N152HD21-ND2 114.866 7.087 N152HD22-ND2 114.866 7.158 D153H-N 117.123 8.409 V154H-N 121.095 8.749 V155H-N 128.403 8.63 V156H-N 126.838 8.426 T158H-N 113.949 8.128 G159H-N 110.766 8.312 L160H-N 121.722 8.108 V161H-N 122.669 8.043 R163H-N 121.995 8.416 G164H-N 110.17 8.438 S165H-N 115.492 8.125 L166H-N 123.667 8.246 E167H-N 120.619 8.189 H168H-N 119.758 8.089