Assignment w1 w2 Q4H-N 123.281 8.703 S5H-N 116.845 8.426 E6H-N 122.965 8.434 V7H-N 121.508 8.131 R8H-N 124.504 8.376 Q9H-N 121.537 8.36 M10H-N 122.199 8.391 K11H-N 122.44 8.317 H12H-N 119.934 8.489 S13H-N 117.596 8.401 V14H-N 121.378 8.285 S15H-N 119.022 8.419 T16H-N 116.04 8.189 L17H-N 123.796 8.168 N18H-N 119.197 8.406 N18HD21-ND2 112.509 6.949 N18HD22-ND2 112.509 7.602 Q19H-N 120.62 8.346 Q19HE21-NE2 112.021 6.863 Q19HE22-NE2 112.021 7.511 E20H-N 121.41 8.474 M21H-N 120.618 8.366 T22H-N 114.858 8.127 Q23H-N 122.047 8.342 Q23HE21-NE2 112.12 6.878 Q23HE22-NE2 112.12 7.509 L24H-N 122.328 8.174 N25H-N 119.262 8.384 N25HD21-ND2 112.633 7.008 N25HD22-ND2 112.633 7.644 Q26H-N 120.394 8.453 Q26HE21-NE2 112.134 6.909 Q26HE22-NE2 112.134 7.51 E27H-N 121.13 8.501 T28H-N 114.032 8.032 V29H-N 122.215 7.969 K30H-N 119.387 7.91 I31H-N 121.053 8.277 T32H-N 115.554 7.896 Q33H-N 120.92 8.279 Q33HE21-NE2 108.609 6.609 Q33HE22-NE2 108.609 6.632 Q34H-N 120.388 8.671 Q34HE21-NE2 112.638 7.246 Q34HE22-NE2 112.638 7.656 N35H-N 116.477 8.636 N35HD21-ND2 110.932 6.856 N35HD22-ND2 110.932 7.662 R36H-N 121.347 8.321 L37H-N 120.862 8.251 N38H-N 115.574 8.047 N38HD21-ND2 113.322 7.693 N38HD22-ND2 113.322 8.382 A39H-N 123.076 7.878 K40H-N 114.889 7.431 S41H-N 114.795 7.671 S42H-N 120.934 8.927 S43H-N 115.966 8.32 G44H-N 110.764 8.182 V45H-N 114.116 8.341 Y46H-N 123.384 10.501 L47H-N 118.822 9.364 L48H-N 123.384 9.128 G50H-N 106.827 9.181 A51H-N 120.192 7.857 K52H-N 115.26 7.787 T53H-N 114.085 8.043 A55H-N 122.227 8.834 R56H-N 121.194 8.445 R56HE-NE 85.419 8.115 L57H-N 125.694 9.159 E58H-N 127.677 8.89 S59H-N 121.86 7.772 Q60H-N 119.522 9.336 Q60HE21-NE2 111.65 7.0 Q60HE22-NE2 111.65 7.603 I61H-N 109.398 8.007 G62H-N 109.035 7.223 T63H-N 119.711 8.91 L64H-N 127.64 9.07 R65H-N 122.68 9.271 R65HE-NE 84.267 7.358 M66H-N 125.309 9.31 S67H-N 112.115 8.943 L68H-N 118.367 8.41 V69H-N 119.888 9.06 N70H-N 119.166 8.651 N70HD21-ND2 111.78 6.763 N70HD22-ND2 111.78 7.417 I71H-N 121.388 8.449 T72H-N 125.726 9.511 D74H-N 122.325 8.404 A75H-N 123.501 8.539 D76H-N 115.326 8.356 G77H-N 109.452 7.569 T78H-N 122.442 8.272 T79H-N 121.451 9.027 L80H-N 119.374 8.698 T81H-N 116.982 8.675 L82H-N 130.905 8.898 R83H-N 131.064 9.162 I84H-N 128.394 9.474 Q85H-N 124.857 9.137 Q85HE21-NE2 113.177 6.752 Q85HE22-NE2 113.177 7.859 G86H-N 110.702 9.09 E87H-N 120.445 8.128 S88H-N 113.821 8.063 N89H-N 119.482 8.502 N89HD21-ND2 112.444 6.861 N89HD22-ND2 112.444 7.549 D90H-N 119.891 8.104 L92H-N 123.954 8.206 A94H-N 120.368 8.42 F95H-N 115.209 7.961 S96H-N 114.106 9.231 G97H-N 104.73 8.269 T98H-N 115.596 8.068 V99H-N 124.571 9.016 E100H-N 125.607 9.595 Y101H-N 117.224 8.576 G102H-N 103.89 6.489 Q103H-N 121.055 8.789 Q103HE21-NE2 110.989 6.987 Q103HE22-NE2 110.989 7.723 I104H-N 119.483 8.877 Q105H-N 126.014 8.807 Q105HE21-NE2 110.932 6.807 Q105HE22-NE2 110.932 7.45 G106H-N 111.899 8.68 T107H-N 111.498 7.984 I108H-N 117.576 8.345 D109H-N 116.045 7.753 N110H-N 119.075 7.719 N110HD21-ND2 111.753 6.775 N110HD22-ND2 111.753 7.454 F111H-N 122.138 7.977 Q112H-N 119.575 8.715 Q112HE21-NE2 111.66 6.688 Q112HE22-NE2 111.66 7.372 E113H-N 122.846 8.546 I114H-N 120.222 8.913 N115H-N 120.916 8.916 N115HD21-ND2 112.053 6.923 N115HD22-ND2 112.053 7.567 V116H-N 117.046 8.044 Q117H-N 127.086 8.582 Q117HE21-NE2 112.56 7.79 Q117HE22-NE2 112.56 6.988 N118H-N 113.251 8.33 N118HD21-ND2 114.236 6.73 N118HD22-ND2 114.236 7.593 Q119H-N 116.799 9.187 Q119HE21-NE2 109.829 6.831 Q119HE22-NE2 109.829 7.457 L120H-N 123.292 8.544 I121H-N 116.046 8.657 N122H-N 118.416 8.329 N122HD21-ND2 113.215 6.584 N122HD22-ND2 113.215 7.546 A123H-N 124.108 8.547 A125H-N 121.333 8.587 S126H-N 118.947 8.227 V127H-N 117.209 8.595 L128H-N 121.103 7.844 A129H-N 123.679 8.377 S131H-N 122.226 9.365 D132H-N 124.814 8.608 V133H-N 127.192 9.405 D134H-N 127.161 8.468 I135H-N 125.603 9.406 L137H-N 124.087 9.196 Q138H-N 122.528 8.928 Q138HE21-NE2 112.04 6.721 Q138HE22-NE2 112.04 7.581 L139H-N 127.667 9.039 K140H-N 124.108 8.078 G141H-N 110.698 9.166 I142H-N 117.928 7.112 S143H-N 123.373 8.381 V144H-N 120.791 8.702 D145H-N 115.698 8.151 Q146H-N 117.118 7.553 Q146HE21-NE2 111.998 6.8 Q146HE22-NE2 111.998 7.464 L147H-N 121.541 7.368 G148H-N 116.322 8.791 F149H-N 113.675 7.79 V150H-N 118.208 8.549 R151H-N 128.446 9.953 I152H-N 127.149 8.905 H153H-N 119.132 8.941 D154H-N 116.42 9.109 I155H-N 119.131 8.062 Q156H-N 127.177 9.011 Q156HE21-NE2 111.028 6.77 Q156HE22-NE2 111.028 7.429 V158H-N 121.642 7.921 M159H-N 124.452 8.544 Q160H-N 121.917 8.434 Q160HE21-NE2 112.153 6.887 Q160HE22-NE2 112.153 7.539 L161H-N 123.826 8.325 E162H-N 121.293 8.358 H163H-N 121.307 8.376 H164H-N 125.228 8.289 H167H-N 121.317 8.591 H168H-N 122.264 8.553