Assignment w1 w2 Y2H-N 121.889 8.187 Q3H-N 122.311 8.836 Q3HE21-NE2 112.114 6.677 Q3HE22-NE2 112.114 7.287 C4H-N 116.271 7.951 L5H-N 121.768 9.294 K6H-N 130.807 9.097 G7H-N 116.18 9.087 T8H-N 115.838 8.778 G9H-N 107.604 8.674 E10H-N 123.004 8.669 N11H-N 113.404 8.259 N11HD21-ND2 111.508 7.608 N11HD22-ND2 111.508 6.443 Y12H-N 120.064 7.539 R13H-N 128.911 8.527 R13HE-NE 85.312 7.734 N15H-N 114.433 7.913 N15HD21-ND2 110.924 7.844 N15HD22-ND2 110.924 7.053 V16H-N 121.272 7.452 A17H-N 131.983 8.67 V18H-N 116.86 7.365 T19H-N 113.195 8.827 V20H-N 116.341 8.895 S21H-N 113.199 7.561 G22H-N 108.244 8.052 H23H-N 116.752 7.337 H23HD1-ND1 130.465 6.595 T24H-N 119.851 9.242 C25H-N 123.77 7.904 Q26H-N 127.193 9.501 H27H-N 127.298 9.152 W28H-N 124.928 7.753 W28HE1-NE1 132.106 11.521 S29H-N 107.828 8.655 A30H-N 125.106 7.975 Q31H-N 117.914 8.517 Q31HE21-NE2 112.798 5.88 Q31HE22-NE2 112.798 7.433 T32H-N 111.811 6.81 H34H-N 120.911 8.218 T35H-N 117.71 8.667 H36H-N 122.301 9.589 N37H-N 117.456 8.987 R38H-N 120.003 8.46 R38HE-NE 85.016 7.439 T39H-N 105.291 7.355 E41H-N 113.293 8.341 N42H-N 117.447 7.792 N42HD21-ND2 110.869 6.972 N42HD22-ND2 110.869 7.627 F43H-N 116.868 7.557 S45H-N 111.866 8.314 K46H-N 117.397 7.331 N47H-N 114.87 8.023 N47HD21-ND2 112.246 6.835 N47HD22-ND2 112.246 7.861 L48H-N 123.073 9.096 D49H-N 122.934 7.523 E50H-N 115.395 8.803 N51H-N 122.594 7.399 N51HD21-ND2 108.375 7.502 N51HD22-ND2 108.375 6.93 Y52H-N 114.499 7.548 C53H-N 118.751 9.315 R54H-N 123.103 9.068 R54HE-NE 85.456 7.877 N55H-N 113.303 8.637 D57H-N 117.122 8.761 G58H-N 109.049 8.102 D59H-N 124.889 8.792 R60H-N 117.096 8.028 R60HE-NE 83.829 7.009 A61H-N 118.869 7.709 W63H-N 121.494 9.023 W63HE1-NE1 130.176 10.641 C64H-N 108.754 8.599 H65H-N 119.053 7.537 T66H-N 112.204 8.106 T67H-N 104.568 8.36 N68H-N 123.985 9.107 S69H-N 117.675 8.713 Q70H-N 118.159 8.882 Q70HE21-NE2 109.709 6.661 Q70HE22-NE2 109.709 7.116 V71H-N 120.523 7.578 R72H-N 128.233 8.594 R72HE-NE 84.44 7.147 W73H-N 109.592 7.337 W73HE1-NE1 128.498 9.667 E74H-N 117.394 8.504 Y75H-N 116.99 7.761 C76H-N 116.49 8.642 K77H-N 126.319 9.484 I78H-N 128.89 8.356 S80H-N 122.832 8.83 C81H-N 121.149 8.647 D82H-N 120.217 7.774 Y2H-N 121.737 8.209 Q3H-N 120.541 9.012 Q3HE21-NE2 112.054 6.653 Q3HE22-NE2 112.054 7.32 C4H-N 115.863 7.933 L5H-N 121.595 9.305 K6H-N 131.009 9.1 T8H-N 115.949 8.788 G9H-N 107.655 8.694 E10H-N 122.889 8.67 Y12H-N 119.805 7.522 R13H-N 128.863 8.647 N15H-N 114.379 7.939 N15HD21-ND2 111.005 7.854 N15HD22-ND2 111.005 7.065 V16H-N 121.333 7.476 A17H-N 132.059 8.661 V18H-N 117.174 7.37 T19H-N 113.673 8.872 V20H-N 117.102 8.863 S21H-N 113.771 7.914 H23H-N 118.329 7.215 T24H-N 119.554 9.222 C25H-N 123.964 7.929 Q26H-N 127.401 9.549 H27H-N 128.215 8.992 W28H-N 124.49 7.721 W28HE1-NE1 131.967 11.505 S29H-N 107.563 8.632 A30H-N 125.37 8.06 Q31H-N 117.754 8.475 Q31HE21-NE2 112.908 5.839 Q31HE22-NE2 112.908 7.419 T32H-N 111.732 6.811 H34H-N 122.035 8.335 T35H-N 117.015 8.666 H36H-N 122.783 9.596 N37H-N 117.546 9.043 R38H-N 119.607 8.467 R38HE-NE 85.132 7.454 T39H-N 104.609 7.347 E41H-N 113.2 8.347 N42H-N 117.592 7.796 N42HD21-ND2 110.83 6.975 N42HD22-ND2 110.83 7.624 F43H-N 116.92 7.572 S45H-N 111.888 8.329 K46H-N 117.327 7.328 N47H-N 114.844 8.068 N47HD22-ND2 112.367 7.872 L48H-N 123.098 9.077 D49H-N 123.107 7.54 E50H-N 115.304 8.756 N51H-N 122.429 7.389 N51HD21-ND2 108.274 7.531 N51HD22-ND2 108.274 6.909 Y52H-N 114.327 7.504 C53H-N 118.663 9.323 R54H-N 123.101 9.076 R54HE-NE 85.44 7.888 N55H-N 113.259 8.603 D57H-N 117.132 8.793 G58H-N 108.381 8.084 D59H-N 125.523 8.938 R60H-N 117.097 7.976 A61H-N 118.812 7.715 W63H-N 121.8 9.054 W63HE1-NE1 130.142 10.638 C64H-N 108.787 8.513 H65H-N 119.196 7.534 T66H-N 112.263 8.134 T67H-N 103.65 8.31 N68H-N 123.553 8.998 S69H-N 117.68 8.725 Q70H-N 118.213 9.001 Q70HE21-NE2 109.635 6.667 Q70HE22-NE2 109.635 7.118 V71H-N 121.202 7.614 R72H-N 128.007 8.524 W73H-N 108.543 7.268 W73HE1-NE1 128.417 9.65 E74H-N 117.617 8.497 Y75H-N 117.345 7.56 C76H-N 116.358 8.62 K77H-N 126.29 9.463 I78H-N 128.762 8.326 S80H-N 122.857 8.819 C81H-N 121.172 8.656 D82H-N 120.247 7.784