Assignment w1 w2 M3H-N 119.777 8.489 A4H-N 125.557 8.394 T5H-N 112.748 8.037 A6H-N 126.198 8.203 K7H-N 120.426 8.208 L8H-N 123.224 8.234 A9H-N 124.901 8.43 T10H-N 110.911 7.875 D11H-N 122.447 8.227 I12H-N 120.495 7.92 E13H-N 125.416 8.476 N14H-N 118.718 8.43 N14HD21-ND2 113.105 7.67 N14HD22-ND2 113.105 6.939 N15H-N 116.712 8.282 V16H-N 111.137 7.662 R17H-N 121.999 7.434 R17HE-NE 118.91 7.182 V18H-N 125.383 9.092 V19H-N 127.227 8.867 V20H-N 128.396 9.008 Y21H-N 125.255 8.954 I22H-N 121.749 8.712 R23H-N 122.879 8.482 K24H-N 118.497 8.518 D25H-N 113.811 8.528 V26H-N 122.441 7.762 E27H-N 129.456 8.561 D28H-N 118.263 7.88 N29H-N 112.978 8.701 N29HD21-ND2 115.508 6.883 N29HD22-ND2 115.508 6.655 S30H-N 115.128 7.683 Q31H-N 126.636 9.013 Q31HE21-NE2 111.162 6.995 Q31HE22-NE2 111.162 6.659 T32H-N 109.01 7.679 I33H-N 117.016 8.966 E34H-N 121.973 8.539 K35H-N 125.966 9.038 E36H-N 125.707 9.51 G37H-N 104.635 8.739 Q38H-N 119.041 7.785 Q38HE21-NE2 112.347 7.529 Q38HE22-NE2 112.347 6.842 T39H-N 120.099 8.639 V40H-N 122.922 9.262 T41H-N 118.181 8.44 N42H-N 122.415 8.391 N42HD21-ND2 112.474 8.138 N42HD22-ND2 112.474 7.334 D44H-N 116.438 7.727 Y45H-N 122.108 7.097 H46H-N 123.666 9.626 K47H-N 122.03 7.874 V48H-N 123.249 10.52 Y49H-N 120.709 7.917 D50H-N 116.688 8.874 S51H-N 115.059 7.194 L52H-N 120.186 7.504 K53H-N 116.799 8.29 N54H-N 113.1 7.472 M55H-N 121.102 7.41 S56H-N 120.419 8.889 T57H-N 107.579 7.336 V58H-N 122.166 7.023 K59H-N 130.177 9.279 S60H-N 111.143 7.669 V61H-N 120.696 8.43 T62H-N 122.351 8.83 F63H-N 128.889 9.525 S64H-N 124.593 8.748 S65H-N 124.961 8.63 K66H-N 121.868 9.801 E67H-N 121.852 8.581 E68H-N 123.179 8.202 Q69H-N 118.704 8.263 Q69HE21-NE2 112.681 7.45 Q69HE22-NE2 112.681 6.526 Y70H-N 120.448 8.21 E71H-N 120.315 8.123 K72H-N 118.795 7.883 L73H-N 119.856 7.967 T74H-N 112.773 7.911 E75H-N 121.836 7.651 I76H-N 116.291 7.586 M77H-N 118.202 8.231 G78H-N 108.937 7.956 D79H-N 120.348 8.49 N80H-N 117.091 8.422 N80HD21-ND2 112.535 7.449 N80HD22-ND2 112.535 6.919 W81H-N 120.177 7.738 W81HE1-NE1 129.2 9.856 K82H-N 121.705 7.592 I83H-N 119.009 7.55 F84H-N 121.372 7.844 E85H-N 121.349 8.129 G86H-N 110.257 8.189 D87H-N 120.664 8.203 A88H-N 122.796 7.961 N89H-N 118.851 8.114 N89HD21-ND2 110.132 7.602 N89HD22-ND2 110.132 6.243 L91H-N 121.591 7.959 Y92H-N 118.643 8.493 D93H-N 122.151 9.38 A94H-N 119.786 7.859 Y95H-N 114.487 8.976 I96H-N 123.275 9.63 V97H-N 132.853 9.673 E98H-N 126.625 8.452 A99H-N 130.065 9.462 N100H-N 117.65 8.535 N100HD21-ND2 112.073 7.612 N100HD22-ND2 112.073 6.503 A101H-N 119.144 8.014 N103H-N 112.378 8.441 N103HD21-ND2 113.624 7.658 N103HD22-ND2 113.624 6.926 D104H-N 117.062 7.934 V105H-N 119.379 7.344 K106H-N 116.838 8.188 T107H-N 115.755 7.388 I108H-N 121.901 7.978 A109H-N 119.389 8.496 E110H-N 115.509 7.672 D111H-N 119.896 8.442 A112H-N 123.719 9.344 K113H-N 112.979 7.199 K114H-N 114.964 7.124 I115H-N 122.312 7.354 E116H-N 130.858 8.796 G117H-N 112.831 8.663 V118H-N 121.103 7.62 S119H-N 123.406 9.447 E120H-N 118.915 7.475 V121H-N 121.819 8.917 Q122H-N 126.355 9.375 Q122HE21-NE2 112.379 7.699 Q122HE22-NE2 112.379 6.856 D123H-N 123.606 8.723 G124H-N 108.55 8.455 G125H-N 109.352 8.508 A126H-N 128.887 7.826