Assignment w1 w2 E3H-N 121.287 8.696 D4H-N 121.025 8.526 T5H-N 115.498 8.22 E6H-N 123.169 8.493 D7H-N 121.579 8.48 W8H-N 122.978 8.397 W8HE1-NE1 130.906 10.634 E9H-N 122.265 10.28 T10H-N 116.307 8.106 Q11H-N 122.311 8.093 L12H-N 122.368 7.998 Q13H-N 117.779 8.003 Q13HE21-NE2 115.154 7.697 Q13HE22-NE2 115.154 6.889 A14H-N 121.826 8.017 N15H-N 118.57 8.18 N15HD21-ND2 111.837 7.468 N15HD22-ND2 111.837 6.956 R16H-N 122.597 8.146 R16HE-NE 89.243 7.557 D17H-N 122.91 8.805 E18H-N 121.91 8.374 K19H-N 122.874 7.979 D20H-N 119.914 7.805 R21H-N 121.156 7.907 R21HE-NE 84.509 7.627 F22H-N 122.505 8.483 F23H-N 118.599 9.154 S24H-N 111.357 8.14 E25H-N 115.765 8.037 H26H-N 123.319 8.46 R27H-N 126.629 8.201 Q28H-N 125.412 8.28 Q28HE21-NE2 111.856 7.645 Q28HE22-NE2 111.856 6.967 S29H-N 115.25 7.273 I31H-N 121.538 7.41 E34H-N 116.281 9.726 E35H-N 118.029 8.203 R36H-N 120.871 7.37 R36HE-NE 84.403 6.71 D37H-N 118.227 8.645 D38H-N 117.045 7.6 F39H-N 121.839 7.478 D40H-N 128.333 8.396 G41H-N 104.299 4.59 L42H-N 122.302 9.221 S43H-N 115.518 8.422 Y44H-N 119.669 8.73 F45H-N 120.18 8.779 D46H-N 124.974 9.226 D48H-N 124.882 9.361 D50H-N 119.927 8.633 Y51H-N 114.303 7.513 R52H-N 122.489 7.197 R52HE-NE 84.212 6.872 V53H-N 119.687 8.465 E54H-N 121.351 8.517 A55H-N 128.329 9.305 T56H-N 116.876 9.46 V57H-N 128.202 9.275 T58H-N 124.644 8.901 V59H-N 127.62 9.305 H60H-N 129.139 7.691 E61H-N 125.471 9.111 T62H-N 114.108 8.34 E64H-N 122.755 9.115 S65H-N 118.251 8.711 V66H-N 124.266 9.577 D67H-N 125.748 8.615 L68H-N 125.661 9.126 E69H-N 122.281 8.802 T70H-N 108.761 8.174 S71H-N 117.43 9.141 D72H-N 119.051 8.532 D73H-N 114.964 7.922 R74H-N 117.338 7.799 R74HE-NE 85.325 7.041 T75H-N 111.372 7.739 V76H-N 121.578 9.183 R77H-N 127.333 8.477 R77HE-NE 85.131 8.171 Y78H-N 128.053 9.546 L79H-N 117.244 9.069 H80H-N 123.22 9.367 V81H-N 118.534 7.742 A82H-N 120.442 7.877 T83H-N 119.767 9.306 L84H-N 128.373 9.463 S85H-N 118.334 8.921 F86H-N 122.12 8.465 D87H-N 120.924 9.003 L88H-N 120.39 8.34 D89H-N 130.015 9.788 G90H-N 103.837 8.693 E91H-N 116.512 7.233 S92H-N 117.582 8.469 R93H-N 125.903 9.202 R93HE-NE 85.204 6.886 D94H-N 116.781 7.786 L95H-N 116.025 8.957 H96H-N 122.717 9.813 A97H-N 122.115 8.724 F98H-N 118.605 9.283 R99H-N 118.648 9.213 R99HE-NE 86.391 7.18 Q100H-N 126.92 9.758 Q100HE21-NE2 111.802 6.966 Q100HE22-NE2 111.802 6.834 A101H-N 125.253 8.858 A102H-N 117.031 8.167 D103H-N 119.296 7.429 E104H-N 125.549 8.734 S105H-N 118.517 8.56 R106H-N 116.429 8.639 R106HE-NE 85.023 7.154 T107H-N 115.187 7.835 L108H-N 124.762 9.108 F109H-N 125.006 9.333 V110H-N 127.815 8.778 F112H-N 120.205 10.164 R113H-N 117.652 8.643 R113HE-NE 82.562 6.354 D114H-N 118.871 9.263 K115H-N 120.153 8.638 T116H-N 108.443 9.478 T117H-N 126.677 8.144 G118H-N 115.957 8.088 Q119H-N 119.592 8.264 Q119HE21-NE2 112.218 7.48 Q119HE22-NE2 112.218 6.791 Q120H-N 115.843 8.577 Q120HE21-NE2 110.618 7.577 Q120HE22-NE2 110.618 6.792 S121H-N 112.604 8.182 D123H-N 127.469 8.147 G124H-N 102.183 5.103 G125H-N 107.456 7.22 R126H-N 110.554 8.022 R126HE-NE 84.612 7.232 Y127H-N 117.592 9.133 M128H-N 115.261 7.44 E129H-N 120.492 8.56 L130H-N 124.65 9.048 E131H-N 122.247 8.932 D133H-N 120.427 8.71 R134H-N 114.329 7.448 R134HE-NE 85.414 7.298 D135H-N 119.047 8.457 L136H-N 124.529 8.228 S137H-N 118.128 8.919 D138H-N 121.063 8.529 G139H-N 112.831 9.296 D140H-N 121.912 8.025 E141H-N 118.029 8.282 I142H-N 120.028 9.051 T143H-N 121.975 8.286 L144H-N 132.612 9.285 D145H-N 122.483 8.402 F146H-N 123.011 8.739 N147H-N 114.966 8.977 L148H-N 118.731 8.228 A149H-N 124.144 7.723 Y150H-N 122.021 9.428 S151H-N 118.776 8.793 F153H-N 119.99 9.178 C154H-N 116.925 7.698 A155H-N 124.902 7.997 Y156H-N 115.598 7.249 S157H-N 109.596 7.491 D158H-N 126.558 8.848 T159H-N 109.487 7.699 F160H-N 119.764 7.173 S161H-N 118.223 8.669 C162H-N 127.017 8.536 L164H-N 122.206 9.08 E167H-N 121.46 8.767 S168H-N 112.834 7.884 N169H-N 121.981 8.16 N169HD21-ND2 113.117 7.482 N169HD22-ND2 113.117 6.93 W170H-N 120.938 7.455 W170HE1-NE1 125.92 9.352 L171H-N 125.461 8.906 E172H-N 124.579 8.723 T173H-N 113.424 7.642 A174H-N 131.118 8.595 V175H-N 127.914 8.558 T176H-N 118.911 6.576 A177H-N 121.554 7.119 G178H-N 108.948 9.45 E179H-N 121.178 8.563 R180H-N 126.601 8.724 T181H-N 111.588 8.34 D182H-N 123.327 8.93 L183H-N 122.87 8.002 E184H-N 119.642 8.282 H185H-N 118.677 8.202