Assignment w1 w2 D3H-N 120.809 8.423 V4H-N 119.125 7.998 Y5H-N 122.64 8.305 T6H-N 114.861 8.003 S7H-N 118.14 8.487 I8H-N 121.375 8.139 H9H-N 125.734 8.743 I10H-N 125.875 8.035 E11H-N 129.438 8.934 E12H-N 123.983 8.192 Y13H-N 122.826 8.926 E14H-N 119.329 8.716 S15H-N 116.172 8.922 E16H-N 125.172 8.587 A17H-N 124.89 9.0 R18H-N 125.376 9.624 D19H-N 119.828 8.42 T20H-N 112.948 7.602 L22H-N 117.346 7.848 G23H-N 108.437 7.407 E25H-N 118.281 8.341 E26H-N 119.406 8.336 I27H-N 127.472 8.405 T28H-N 124.387 8.191 R29H-N 120.568 7.995 D30H-N 123.906 8.784 I31H-N 123.422 7.404 N33H-N 114.027 8.88 N33HD21-ND2 114.015 7.696 N33HD22-ND2 114.015 7.006 V34H-N 117.111 7.328 G35H-N 113.6 8.653 E36H-N 118.562 8.457 D37H-N 118.14 8.728 A38H-N 120.752 7.642 L39H-N 117.015 7.446 R40H-N 118.017 7.079 N41H-N 115.439 9.057 N41HD21-ND2 114.953 8.065 N41HD22-ND2 114.953 7.047 L42H-N 118.703 7.719 D43H-N 122.791 8.933 D44H-N 114.917 8.281 R45H-N 118.14 8.5 G46H-N 101.828 7.68 V47H-N 119.955 8.007 I48H-N 128.406 8.145 R49H-N 123.765 7.447 I50H-N 121.094 8.284 G51H-N 115.791 8.679 A52H-N 122.065 7.496 E53H-N 121.468 8.427 V54H-N 117.437 9.002 K55H-N 123.906 9.244 D56H-N 118.562 8.176 G57H-N 112.515 8.841 D58H-N 121.375 8.209 L59H-N 119.828 8.57 L60H-N 116.594 8.816 V61H-N 115.656 7.322 G62H-N 117.191 9.563 K63H-N 127.584 8.712 V64H-N 114.383 8.481 T65H-N 118.431 8.637 K67H-N 122.359 8.371 G68H-N 109.563 8.583 V69H-N 118.378 8.235 T70H-N 114.484 8.085 E71H-N 121.656 8.175 L72H-N 122.219 7.77 T73H-N 114.407 8.869 A74H-N 123.782 8.831 E75H-N 117.578 8.637 E76H-N 120.042 7.847 R77H-N 119.687 8.452 L78H-N 120.25 7.685 L79H-N 119.265 7.679 H80H-N 118.348 8.127 A81H-N 122.359 7.908 I82H-N 117.705 7.78 F83H-N 120.528 8.227 G84H-N 110.328 8.157 E85H-N 120.975 8.374 K86H-N 121.202 8.23 A87H-N 124.596 8.179 R88H-N 120.688 8.274 E89H-N 124.469 8.632 V90H-N 114.44 8.246 R91H-N 118.602 9.062 D92H-N 121.656 8.77 T93H-N 124.654 9.253 S94H-N 117.437 8.564 L95H-N 125.594 8.964 R96H-N 128.669 8.709 V97H-N 121.375 8.745 H99H-N 118.14 8.368 G100H-N 116.101 9.411 G101H-N 108.798 8.399 G102H-N 105.967 8.31 G103H-N 107.574 8.075 I104H-N 122.219 8.269 I105H-N 124.237 8.965 H106H-N 135.053 9.604 D107H-N 112.528 7.93 V108H-N 121.656 8.325 K109H-N 126.798 9.417 V110H-N 121.892 8.206 F111H-N 126.578 9.459 N112H-N 121.797 10.663 N112HD21-ND2 113.547 7.63 N112HD22-ND2 113.547 6.988 R113H-N 130.516 9.138 E114H-N 119.008 8.924 D115H-N 116.593 7.356 G116H-N 106.689 7.918 D117H-N 119.329 7.22 E118H-N 123.484 8.626 L119H-N 129.139 8.106 G122H-N 112.656 8.827 V123H-N 119.406 7.845 N124H-N 124.609 9.206 N124HD21-ND2 114.484 7.238 N124HD22-ND2 114.484 7.546 Q125H-N 117.959 7.756 Q125HE21-NE2 110.031 6.994 Q125HE22-NE2 110.031 6.951 L126H-N 125.559 8.866 V127H-N 126.578 9.367 R128H-N 126.578 9.502 V129H-N 123.977 9.051 Y130H-N 124.673 8.65 I131H-N 125.227 9.509 V132H-N 126.859 9.606 Q133H-N 128.406 9.153 Q133HE21-NE2 111.203 7.551 Q133HE22-NE2 111.203 6.976 K134H-N 122.929 8.561 R135H-N 123.484 8.596 K136H-N 123.906 8.608 I137H-N 123.571 8.353 S138H-N 119.547 8.41 E139H-N 123.281 8.489 G140H-N 109.792 8.418 D141H-N 120.511 8.258