Assignment w1 w2 D2H-N 127.565 9.937 I3H-N 123.109 8.109 D4H-N 131.001 9.589 Y6H-N 116.763 8.894 K7H-N 125.757 7.349 E8H-N 117.369 9.603 F9H-N 116.975 7.594 G10H-N 105.326 7.782 A11H-N 120.444 7.672 T12H-N 103.678 6.426 V13H-N 124.052 11.07 E14H-N 120.471 8.369 L15H-N 121.53 7.71 S17H-N 113.231 7.69 F18H-N 121.46 7.669 S21H-N 116.509 8.803 D22H-N 114.807 8.116 F23H-N 119.264 7.672 F24H-N 113.161 6.161 S26H-N 115.849 8.78 V27H-N 119.911 8.667 R28H-N 117.49 8.232 R28HE-NE 86.043 7.388 D29H-N 118.567 7.783 L31H-N 121.884 9.091 D32H-N 120.83 8.685 T33H-N 119.197 7.916 A34H-N 122.602 8.605 S35H-N 110.845 8.338 A36H-N 120.894 8.041 L37H-N 111.016 7.526 Y38H-N 113.153 7.846 R39H-N 121.631 7.617 R39HH11-NH1 71.545 6.372 R39HE-NE 83.912 7.683 E40H-N 116.064 8.636 A41H-N 120.611 8.147 L42H-N 119.65 9.273 E43H-N 118.514 8.469 S44H-N 116.091 7.291 E46H-N 117.82 7.53 H47H-N 120.128 8.265 C48H-N 108.165 8.73 S49H-N 118.841 8.766 H51H-N 113.899 7.533 H52H-N 118.801 7.983 T53H-N 117.393 8.219 A54H-N 122.987 8.124 L55H-N 117.364 8.083 R56H-N 117.061 8.635 R56HH11-NH1 74.641 7.563 R56HH12-NH1 74.641 6.814 R56HH21-NH2 70.28 6.652 R56HE-NE 89.323 8.046 Q57H-N 112.791 7.222 A58H-N 119.647 8.236 I59H-N 118.229 8.988 L60H-N 121.581 7.922 C61H-N 120.097 8.841 W62H-N 120.457 8.579 W62HE1-NE1 132.22 10.148 G63H-N 104.756 8.355 E64H-N 120.586 7.944 L65H-N 124.6 8.363 M66H-N 120.054 8.473 T67H-N 121.285 8.237 L68H-N 124.613 7.975 A69H-N 121.809 8.586 T70H-N 117.36 8.356 W71H-N 125.34 8.845 W71HE1-NE1 130.377 10.224 V72H-N 119.013 9.361 G73H-N 105.235 7.544 V74H-N 114.804 7.009 N75H-N 114.637 7.667 N75HD21-ND2 116.466 6.785 N75HD22-ND2 116.466 5.758 L76H-N 119.303 7.79 E77H-N 123.222 8.783 D78H-N 118.922 7.404 A80H-N 118.47 7.982 S81H-N 114.755 7.708 R82H-N 120.524 7.751 R82HE-NE 83.294 6.175 D83H-N 117.533 8.197 L84H-N 121.389 8.168 V85H-N 117.654 7.796 V86H-N 118.778 8.339 S87H-N 114.399 8.443 Y88H-N 124.928 7.962 V89H-N 119.278 8.267 N90H-N 114.727 8.317 N90HD21-ND2 112.513 7.399 N90HD22-ND2 112.513 6.927 T91H-N 112.886 8.637 N92H-N 120.59 7.93 M93H-N 117.038 7.313 G94H-N 104.862 7.942 L95H-N 120.534 7.074 K96H-N 117.524 8.127 F97H-N 117.153 7.978 R98H-N 116.98 8.537 R98HH11-NH1 72.984 6.881 R98HE-NE 81.869 6.955 L100H-N 120.377 7.779 L101H-N 119.766 9.053 W102H-N 118.133 8.816 W102HE1-NE1 132.993 11.062 F103H-N 122.468 8.966 H104H-N 118.461 8.372 I105H-N 118.272 8.883 S106H-N 118.136 8.091 C107H-N 121.456 8.018 L108H-N 118.157 7.432 T109H-N 113.137 7.317 F110H-N 115.031 8.126 G111H-N 110.355 7.401 R112H-N 126.185 8.779 R112HH11-NH1 72.706 7.07 R112HE-NE 83.626 6.891 E113H-N 117.087 9.296 T114H-N 116.467 7.51 V115H-N 123.187 7.795 I116H-N 120.725 8.193 E117H-N 117.132 7.932 Y118H-N 121.598 7.882 F122H-N 126.571 9.938 G123H-N 105.707 8.397 V124H-N 118.382 7.219 W125H-N 121.572 7.45 T128H-N 121.069 7.342 A131H-N 117.518 8.283 N136H-N 114.825 8.208 A137H-N 126.236 8.203