Assignment w1 w2 L4H-N 123.419 8.381 L5H-N 122.432 8.263 M6H-N 120.464 8.204 E7H-N 121.177 8.368 K8H-N 121.49 8.159 L9H-N 121.456 8.136 E10H-N 120.67 8.278 Q11H-N 119.502 8.258 Q11HE21-NE2 112.154 7.528 Q11HE22-NE2 112.154 6.858 D12H-N 121.251 8.525 F13H-N 121.904 8.175 V14H-N 118.144 8.381 S15H-N 118.316 8.442 V17H-N 120.967 8.569 T18H-N 117.395 8.212 E19H-N 122.544 8.192 C20H-N 114.455 7.273 L21H-N 120.299 8.3 T22H-N 102.695 8.005 T23H-N 112.151 7.389 V24H-N 124.339 7.526 K25H-N 128.406 8.386 S26H-N 119.112 8.67 V27H-N 126.166 8.209 N28H-N 126.521 9.046 N28HD21-ND2 112.925 7.577 N28HD22-ND2 112.925 6.889 T30H-N 119.348 8.033 D31H-N 124.007 8.607 S32H-N 113.425 8.072 Q33H-N 120.047 7.594 Q33HE21-NE2 109.946 7.219 Q33HE22-NE2 109.946 6.579 T34H-N 118.422 8.452 L35H-N 125.336 8.761 L36H-N 119.609 8.133 T37H-N 111.835 8.119 T38H-N 117.126 7.829 F39H-N 117.008 8.154 G40H-N 108.96 8.284 S41H-N 111.236 7.604 L42H-N 124.019 10.5 E43H-N 118.065 7.842 Q44H-N 117.336 7.788 Q44HE21-NE2 113.983 7.842 Q44HE22-NE2 113.983 6.917 L45H-N 122.661 7.773 I46H-N 117.626 8.27 A47H-N 117.927 7.014 A48H-N 122.138 7.028 S49H-N 117.806 9.024 R50H-N 120.957 8.37 E51H-N 117.613 8.283 D52H-N 119.918 7.883 L53H-N 119.354 7.98 A54H-N 117.847 7.732 L55H-N 116.927 7.311 C56H-N 122.548 7.605 G58H-N 111.025 8.605 L59H-N 123.8 7.681 G60H-N 106.642 8.108 K63H-N 120.376 8.502 A64H-N 117.487 7.658 R65H-N 116.835 7.572 R66H-N 117.043 7.609 L67H-N 119.185 8.256 F68H-N 118.85 8.558 D69H-N 119.065 8.641 V70H-N 121.099 7.755 L71H-N 114.02 7.068 H72H-N 110.224 7.216 E73H-N 126.484 8.715 F75H-N 117.345 7.841 L76H-N 116.65 8.12 K77H-N 121.763 8.024 V78H-N 121.916 8.156 G80H-N 109.385 8.455 G81H-N 108.733 8.308 L82H-N 121.323 8.137 E83H-N 121.195 8.454 H84H-N 119.64 8.201 S3H-N 116.202 8.406 E4H-N 122.328 8.459 T5H-N 115.419 8.107 L6H-N 126.279 8.26 E8H-N 120.879 8.708 S9H-N 114.237 8.188 E10H-N 121.35 8.356 K11H-N 119.19 7.797 Y12H-N 118.149 7.724 N13H-N 123.65 8.885 N13HD21-ND2 114.592 8.249 N13HD22-ND2 114.592 7.166 G15H-N 105.407 8.774 Q17H-N 115.54 7.252 Q17HE21-NE2 108.628 6.853 Q17HE22-NE2 108.628 6.581 D18H-N 118.43 8.795 F19H-N 118.823 7.501 L20H-N 118.667 8.364 L21H-N 113.562 7.961 K22H-N 116.348 7.166 M23H-N 122.011 7.884 G25H-N 107.063 7.845 V26H-N 119.576 7.373 N27H-N 123.811 9.246 N27HD21-ND2 115.0 7.631 N27HD22-ND2 115.0 6.466 A28H-N 118.975 8.504 K29H-N 115.911 8.131 N30H-N 117.113 8.129 N30HD21-ND2 108.75 7.716 N30HD22-ND2 108.75 7.44 C31H-N 118.726 8.023 R32H-N 121.72 8.0 S33H-N 114.836 7.781 L34H-N 120.547 7.149 M35H-N 113.845 7.663 H36H-N 112.46 7.602 H37H-N 116.805 7.686 V38H-N 117.862 7.953 K39H-N 123.024 8.933 N40H-N 112.845 7.281 N40HD21-ND2 112.636 7.516 N40HD22-ND2 112.636 6.952 I41H-N 120.951 9.08 A42H-N 119.795 6.96 E43H-N 118.281 8.224 L44H-N 119.777 7.887 A45H-N 116.733 7.607 A46H-N 118.122 7.403 L47H-N 118.614 7.012 S48H-N 119.407 9.549 Q49H-N 121.982 8.742 Q49HE21-NE2 110.047 7.217 Q49HE22-NE2 110.047 6.572 D50H-N 120.162 8.462 E51H-N 122.522 8.009 L52H-N 118.809 8.342 T53H-N 119.251 8.394 S54H-N 116.89 7.583 I55H-N 119.66 7.589 L56H-N 115.374 8.49 G57H-N 107.942 8.127 N58H-N 114.427 6.57 N58HD21-ND2 113.808 7.784 N58HD22-ND2 113.808 6.966 A60H-N 123.415 8.369 N61H-N 118.321 8.432 N61HD21-ND2 109.955 7.424 N61HD22-ND2 109.955 6.955 A62H-N 119.641 7.555 K63H-N 118.526 8.006 Q64H-N 116.148 7.669 Q64HE21-NE2 110.361 7.199 Q64HE22-NE2 110.361 6.728 L65H-N 121.877 7.864 Y66H-N 119.679 8.885 D67H-N 118.801 9.269 F68H-N 122.46 8.023 I69H-N 114.688 7.66 H70H-N 110.576 7.549 T71H-N 119.001 7.526 S72H-N 120.095 8.561 F73H-N 126.34 9.059 A74H-N 120.987 8.371 E75H-N 117.406 7.828 V76H-N 119.189 7.656 V77H-N 119.583 7.851 S78H-N 117.278 8.028 K79H-N 122.509 8.097 G80H-N 108.848 8.25 K81H-N 120.524 8.069 G82H-N 109.665 8.405 K83H-N 121.246 8.069 K84H-N 128.132 7.982