Assignment w1 w2 Y2H-N 121.763 8.011 Q3H-N 122.276 8.867 Q3HE21-NE2 112.244 7.311 Q3HE22-NE2 112.244 6.699 C4H-N 116.219 7.963 L5H-N 121.691 9.314 K6H-N 130.786 9.114 G7H-N 115.742 9.091 T8H-N 115.71 8.768 G9H-N 107.629 8.702 E10H-N 122.787 8.75 N11H-N 113.51 8.289 N11HD21-ND2 111.92 7.629 N11HD22-ND2 111.92 6.493 Y12H-N 120.23 7.52 R13H-N 128.678 8.527 R13HE-NE 115.603 7.681 G14H-N 104.578 4.465 N15H-N 114.453 7.986 N15HD21-ND2 111.056 7.828 N15HD22-ND2 111.056 7.09 V16H-N 121.422 7.429 A17H-N 131.747 8.706 V18H-N 117.367 7.4 T19H-N 113.667 8.893 V20H-N 116.929 8.939 S21H-N 113.56 7.75 G22H-N 108.268 8.048 H23H-N 118.046 7.184 H23HD1-ND1 131.269 6.601 T24H-N 119.926 9.277 C25H-N 123.889 7.883 Q26H-N 127.196 9.537 Q26HE21-NE2 108.927 5.948 Q26HE22-NE2 108.927 7.58 H27H-N 127.381 9.166 W28H-N 124.858 7.73 W28HE1-NE1 132.206 11.556 S29H-N 107.681 8.636 A30H-N 125.091 7.995 Q31H-N 117.843 8.529 Q31HE21-NE2 112.764 7.399 Q31HE22-NE2 112.764 5.879 T32H-N 111.895 6.822 H34H-N 120.92 8.253 T35H-N 117.521 8.662 H36H-N 122.27 9.603 N37H-N 117.607 8.838 N37HD21-ND2 112.414 7.076 N37HD22-ND2 112.414 7.173 R38H-N 119.984 8.464 R38HE-NE 115.603 7.29 T39H-N 104.936 7.344 E41H-N 113.254 8.368 N42H-N 117.575 7.824 N42HD21-ND2 110.986 6.98 N42HD22-ND2 110.986 7.662 F43H-N 116.824 7.556 S45H-N 112.31 8.339 K46H-N 117.304 7.336 N47H-N 114.823 8.052 N47HD21-ND2 112.589 6.833 N47HD22-ND2 112.589 7.884 L48H-N 122.527 9.091 D49H-N 123.183 7.561 E50H-N 115.419 8.844 N51H-N 122.626 7.395 N51HD21-ND2 108.342 7.49 N51HD22-ND2 108.342 6.948 Y52H-N 114.499 7.562 C53H-N 118.738 9.356 R54H-N 123.892 9.161 R54HE-NE 115.685 7.87 N55H-N 112.798 8.613 N55HD21-ND2 106.218 6.922 D57H-N 116.16 9.042 G58H-N 109.034 8.021 K59H-N 119.384 8.776 R60H-N 116.393 8.004 R60HE-NE 114.159 6.983 A61H-N 118.493 7.699 W63H-N 121.705 9.207 W63HE1-NE1 130.229 10.49 C64H-N 108.801 8.569 H65H-N 119.207 7.499 T66H-N 111.832 7.46 T67H-N 104.862 8.493 N68H-N 123.463 8.857 N68HD21-ND2 112.292 6.851 N68HD22-ND2 112.292 7.507 S69H-N 117.662 8.75 Q70H-N 117.474 8.457 Q70HE21-NE2 109.707 6.669 Q70HE22-NE2 109.707 7.099 V71H-N 120.461 7.436 R72H-N 128.301 8.615 R72HE-NE 114.701 7.164 W73H-N 108.809 7.359 W73HE1-NE1 129.305 9.835 E74H-N 117.752 8.576 Y75H-N 117.897 7.798 C76H-N 116.608 8.726 K77H-N 126.306 9.595 I78H-N 128.691 8.339 S80H-N 122.923 8.85 C81H-N 121.128 8.67 D82H-N 120.307 7.803 C4H-N 115.85 7.932 L5H-N 121.534 9.318 K6H-N 130.948 9.085 T8H-N 115.801 8.76 G9H-N 107.609 8.704 E10H-N 122.721 8.759 Y12H-N 119.908 7.492 R13H-N 128.689 8.639 N15H-N 114.386 7.983 N15HD21-ND2 111.072 7.832 N15HD22-ND2 111.072 7.081 V16H-N 121.42 7.441 A17H-N 131.833 8.685 V18H-N 117.542 7.401 T19H-N 113.983 8.908 V20H-N 117.352 8.915 S21H-N 113.9 7.918 G22H-N 107.802 8.046 H23H-N 119.171 7.111 T24H-N 119.913 9.293 C25H-N 124.049 7.966 Q26H-N 127.362 9.556 Q26HE21-NE2 108.449 5.909 Q26HE22-NE2 108.449 7.587 H27H-N 128.335 9.001 W28H-N 124.418 7.719 W28HE1-NE1 132.096 11.546 S29H-N 107.436 8.626 A30H-N 125.283 8.046 Q31H-N 117.674 8.489 Q31HE21-NE2 112.594 7.344 Q31HE22-NE2 112.594 5.852 T32H-N 112.136 6.813 H34H-N 122.008 8.313 T35H-N 116.983 8.662 H36H-N 122.837 9.619 N37H-N 117.567 8.833 N37HD21-ND2 112.086 6.981 N37HD22-ND2 112.086 7.095 T39H-N 104.386 7.336 E41H-N 113.128 8.357 N42H-N 117.627 7.823 N42HD21-ND2 110.852 6.987 N42HD22-ND2 110.852 7.674 F43H-N 116.798 7.545 K46H-N 117.221 7.332 N47H-N 114.751 8.075 N47HD21-ND2 112.673 6.82 N47HD22-ND2 112.673 7.879 L48H-N 122.371 9.045 D49H-N 123.419 7.555 E50H-N 115.456 8.788 N51H-N 122.445 7.378 N51HD21-ND2 108.176 7.504 N51HD22-ND2 108.176 6.918 Y52H-N 114.379 7.522 C53H-N 118.619 9.355 R54H-N 123.898 9.166 N55H-N 112.719 8.587 N55HD21-ND2 106.231 6.919 D57H-N 116.062 9.033 G58H-N 108.998 8.023 K59H-N 119.357 8.777 R60H-N 116.384 7.993 A61H-N 118.4 7.696 W63H-N 121.866 9.228 W63HE1-NE1 130.031 10.463 C64H-N 108.828 8.501 H65H-N 119.378 7.509 T66H-N 111.902 7.436 T67H-N 104.276 8.5 N68H-N 123.691 8.915 N68HD21-ND2 112.277 6.842 N68HD22-ND2 112.277 7.497 S69H-N 117.683 8.738 Q70H-N 117.179 8.469 Q70HE21-NE2 109.663 6.673 Q70HE22-NE2 109.663 7.111 V71H-N 120.88 7.469 R72H-N 128.191 8.574 W73H-N 107.852 7.311 W73HE1-NE1 129.208 9.828 E74H-N 117.997 8.563 Y75H-N 118.192 7.638 C76H-N 116.527 8.728 K77H-N 126.311 9.565 I78H-N 128.554 8.305 S80H-N 122.86 8.824 C81H-N 121.146 8.649 D82H-N 120.266 7.792