Assignment w1 w2 M21H-N 120.472 8.377 R22H-N 121.922 8.14 L23H-N 121.354 8.251 F25H-N 125.899 9.106 A26H-N 131.071 7.855 A27H-N 122.019 8.877 R28H-N 121.06 8.182 L29H-N 125.85 8.621 T31H-N 112.062 7.444 M33H-N 119.134 8.133 G34H-N 104.844 6.654 G36H-N 113.011 9.022 R37H-N 121.883 7.662 T38H-N 117.425 8.556 V39H-N 125.367 9.043 V40H-N 126.513 9.29 V41H-N 125.472 9.026 K42H-N 125.25 8.874 G43H-N 109.764 7.552 E44H-N 116.871 8.672 V45H-N 125.601 8.582 N46H-N 128.19 8.322 N46HD21-ND2 107.067 7.555 N46HD22-ND2 107.067 6.493 A47H-N 123.714 8.782 N48H-N 114.019 8.122 A49H-N 119.504 7.069 K50H-N 118.975 9.995 S51H-N 111.125 8.283 F52H-N 115.672 7.853 N53H-N 116.094 9.214 V54H-N 120.64 8.585 D55H-N 126.376 9.617 L56H-N 120.644 8.859 L57H-N 123.419 9.394 A58H-N 124.334 8.261 G59H-N 115.272 9.493 K60H-N 118.186 8.567 S61H-N 110.506 7.425 K62H-N 116.967 8.306 D63H-N 116.976 7.22 I64H-N 122.111 9.401 A65H-N 129.242 8.031 L66H-N 119.126 7.822 H67H-N 128.755 8.768 L68H-N 123.92 8.699 N69H-N 119.503 8.983 R71H-N 125.642 9.21 L72H-N 124.562 8.155 N73H-N 115.325 8.61 I74H-N 109.724 6.631 K75H-N 119.531 7.193 A76H-N 118.078 7.368 F77H-N 127.325 10.437 V78H-N 127.076 7.536 R79H-N 124.673 8.572 N80H-N 118.929 8.608 S81H-N 113.406 9.843 F82H-N 128.47 8.628 L83H-N 124.137 7.669 Q84H-N 122.316 8.992 Q84HE21-NE2 112.258 7.59 Q84HE22-NE2 112.258 6.723 E85H-N 108.163 8.315 S86H-N 112.366 6.781 W87H-N 127.307 8.967 W87HE1-NE1 130.589 9.872 G88H-N 110.244 8.001 E89H-N 123.47 8.681 E90H-N 124.811 8.78 E91H-N 122.783 9.169 N93H-N 128.197 9.015 I94H-N 124.623 8.576 S96H-N 113.547 7.423 F99H-N 121.937 8.447 S100H-N 115.376 8.22 G102H-N 112.389 7.162 M103H-N 117.089 7.312 Y104H-N 126.161 8.609 F105H-N 124.608 8.66 E106H-N 117.17 8.045 M107H-N 128.707 9.907 I108H-N 127.337 9.208 I109H-N 128.205 9.62 Y110H-N 128.125 9.584 C111H-N 129.726 8.667 D112H-N 130.502 8.448 V113H-N 119.813 9.653 R114H-N 113.202 8.748 E115H-N 115.387 6.984 F116H-N 115.898 8.709 K117H-N 121.355 9.86 V118H-N 123.536 8.849 A119H-N 130.802 9.194 V120H-N 119.762 8.368 N121H-N 127.673 9.748 G122H-N 103.004 9.007 V123H-N 120.614 8.008 H124H-N 121.289 8.26 S125H-N 122.763 9.048 E127H-N 117.812 8.438 Y128H-N 125.616 9.182 K129H-N 130.696 9.199 H130H-N 117.953 7.213 R131H-N 125.157 9.213 F132H-N 122.287 8.74 K133H-N 125.014 8.214 E134H-N 120.245 6.417 L135H-N 122.414 7.609 S136H-N 108.116 8.065 S137H-N 116.668 8.142 I138H-N 121.947 8.09 D139H-N 126.602 8.602 T140H-N 118.61 8.554 L141H-N 129.024 9.007 E142H-N 124.546 9.229 I143H-N 121.159 9.094 N144H-N 122.667 8.744 N144HD21-ND2 112.537 7.735 N144HD22-ND2 112.537 7.068 G145H-N 105.771 8.029 D146H-N 122.613 8.354 I147H-N 111.675 7.894 H148H-N 118.755 8.849 L149H-N 118.855 8.842 L150H-N 120.05 7.977 E151H-N 116.9 7.683 V152H-N 122.663 8.117 R153H-N 124.016 8.91 S154H-N 115.125 8.53 W155H-N 130.475 8.812 W155HE1-NE1 128.48 10.401