Assignment w1 w2 I3H-N 122.066 8.668 Y4H-N 126.575 9.108 T5H-N 116.37 7.854 S6H-N 113.251 9.004 E7H-N 134.494 9.13 K8H-N 120.256 9.641 R9H-N 113.857 8.702 G10H-N 109.069 8.564 S11H-N 109.671 7.758 D12H-N 130.479 9.73 T13H-N 109.739 7.847 A14H-N 122.524 8.342 G15H-N 106.383 7.265 N16H-N 114.325 8.99 N16HD21-ND2 110.661 7.633 N16HD22-ND2 110.661 7.164 G17H-N 106.091 8.406 T18H-N 112.797 7.691 E19H-N 120.665 8.329 E20H-N 113.182 8.081 A21H-N 122.568 7.318 L23H-N 119.01 7.914 K24H-N 123.268 9.021 T25H-N 108.478 9.407 V26H-N 121.135 8.211 L27H-N 119.33 8.34 Q28H-N 117.013 7.729 Q28HE21-NE2 111.486 6.901 Q28HE22-NE2 111.486 7.374 A29H-N 121.528 7.434 I30H-N 116.745 7.689 V31H-N 121.467 8.155 K32H-N 123.161 8.509 L33H-N 117.784 7.39 D34H-N 122.068 8.441 G35H-N 100.293 8.019 K36H-N 122.692 7.378 I37H-N 125.297 8.0 E38H-N 126.622 8.562 A39H-N 123.387 8.886 D40H-N 112.278 8.107 T41H-N 119.909 7.645 R42H-N 129.002 8.272 I43H-N 125.32 7.955 W44H-N 127.959 8.611 W44HE1-NE1 128.438 9.654 V45H-N 116.791 9.911 D46H-N 119.987 9.175 G47H-N 107.809 7.861 T48H-N 113.184 8.438 G49H-N 114.03 8.909 D50H-N 125.219 8.851 E51H-N 118.98 7.813 M52H-N 123.202 8.589 W53H-N 116.978 7.936 W53HE1-NE1 130.207 10.357 D54H-N 121.181 9.403 V55H-N 122.574 8.873 V56H-N 127.231 8.299 S57H-N 123.298 8.225 K58H-N 122.863 8.89 S59H-N 122.209 8.417 K60H-N 123.552 7.687 L61H-N 121.636 8.442 K62H-N 121.337 8.406 K63H-N 119.695 7.732 A64H-N 121.619 8.022 T65H-N 114.038 8.489 K66H-N 122.445 7.876 Q67H-N 118.054 7.843 Q67HE21-NE2 111.144 7.539 Q67HE22-NE2 111.144 6.862 Y68H-N 121.022 8.471 H69H-N 119.314 8.135 I70H-N 119.427 7.984 Q71H-N 118.416 8.085 Q71HE21-NE2 110.012 7.451 Q71HE22-NE2 110.012 6.69 T72H-N 111.579 7.696 K73H-N 122.21 7.711 K74H-N 121.388 8.06 Q75H-N 120.826 8.254 Q75HE21-NE2 111.623 6.862 Q75HE22-NE2 111.623 7.538 E76H-N 122.516 8.335 A78H-N 126.639 8.402 K82H-N 122.491 8.267 I83H-N 123.174 8.186 V84H-N 125.035 8.234 S85H-N 119.37 8.227 Y86H-N 122.809 8.31 E87H-N 117.717 8.157 N88H-N 121.276 8.277 N88HD21-ND2 114.155 8.298 G89H-N 109.242 8.279 D90H-N 120.131 8.403 N91H-N 118.709 8.354 N91HD21-ND2 112.661 7.607 N91HD22-ND2 112.661 6.907 V92H-N 119.902 7.994 N93H-N 121.876 8.491 N93HD21-ND2 112.411 7.606 N93HD22-ND2 112.411 6.907 L94H-N 123.434 8.268 S95H-N 115.926 8.243 E96H-N 122.313 8.246 A97H-N 124.597 8.174 I98H-N 119.317 7.999 N99H-N 122.336 8.421 N99HD21-ND2 112.181 6.905 N99HD22-ND2 112.181 7.609 V100H-N 120.739 8.083 Q101H-N 123.357 8.377 Q101HE21-NE2 112.347 6.856 Q101HE22-NE2 112.347 7.539 L102H-N 123.315 8.232 T103H-N 115.008 8.102 L104H-N 124.533 8.227 D105H-N 121.233 8.344 T106H-N 114.567 8.01 K107H-N 123.754 8.255 L108H-N 125.26 8.273 E110H-N 120.927 8.492 A111H-N 125.538 8.322 K112H-N 120.526 8.257 E113H-N 121.193 8.372 L114H-N 122.781 8.148 H115H-N 122.365 8.702