Assignment w1 w2 N3H-N 119.72 8.707 N3HD21-ND2 113.333 7.682 N3HD22-ND2 113.333 6.954 T4H-N 115.198 8.159 V5H-N 121.955 8.08 K6H-N 122.917 8.15 N7H-N 117.298 8.316 N7HD21-ND2 112.337 7.512 N7HD22-ND2 112.337 6.875 K8H-N 118.813 8.644 Q9H-N 117.655 8.318 Q9HE21-NE2 112.55 6.918 Q9HE22-NE2 112.55 7.761 E10H-N 118.882 8.211 I11H-N 121.647 7.935 L12H-N 118.165 8.131 E13H-N 117.629 7.947 A14H-N 121.217 7.516 F15H-N 117.497 7.771 R16H-N 116.207 7.669 R16HE-NE 84.438 7.574 E17H-N 115.237 7.661 S18H-N 116.291 7.525 D20H-N 114.712 7.372 M21H-N 117.503 7.81 M22H-N 114.78 8.143 A23H-N 124.842 8.093 I24H-N 119.156 8.302 L25H-N 117.715 8.655 T26H-N 117.831 7.871 I27H-N 123.913 8.16 I28H-N 116.419 8.396 R29H-N 122.023 7.937 R29HE-NE 84.656 6.983 D30H-N 119.454 8.312 L31H-N 120.366 7.724 G32H-N 104.257 7.414 L33H-N 120.556 8.504 K34H-N 123.552 9.116 D35H-N 122.628 8.827 S36H-N 113.241 7.987 W37H-N 118.273 8.927 W37HE1-NE1 128.809 9.632 L38H-N 122.812 8.99 A39H-N 129.381 9.014 A40H-N 115.857 8.38 G41H-N 110.138 8.603 S42H-N 113.712 8.406 V43H-N 117.488 7.025 R44H-N 120.015 7.821 N45H-N 114.827 8.722 N45HD21-ND2 107.618 7.406 N45HD22-ND2 107.618 7.0 F46H-N 118.906 6.529 I47H-N 117.934 7.491 W48H-N 120.64 8.403 W48HE1-NE1 126.229 9.352 N49H-N 120.895 8.917 N49HD21-ND2 109.047 7.098 N49HD22-ND2 109.047 7.033 L50H-N 123.398 8.374 L51H-N 117.586 8.677 S52H-N 113.962 7.852 D53H-N 116.675 7.958 K54H-N 116.661 7.872 S55H-N 118.512 8.43 F57H-N 117.176 8.203 D58H-N 127.87 7.763 E60H-N 118.55 8.604 T61H-N 116.913 7.229 D62H-N 126.422 8.445 I63H-N 123.318 8.7 D64H-N 128.513 8.563 V65H-N 125.834 8.96 I66H-N 120.472 9.124 F67H-N 117.207 8.374 F68H-N 121.015 8.188 D69H-N 120.61 7.575 D71H-N 116.772 8.475 F72H-N 124.237 7.545 S73H-N 124.287 9.265 Y74H-N 126.962 9.3 E75H-N 118.599 9.032 E76H-N 119.87 8.21 T77H-N 120.259 8.367 L78H-N 121.346 7.916 L79H-N 119.662 7.67 L80H-N 123.71 8.009 E81H-N 120.833 8.513 K82H-N 118.836 7.912 K83H-N 120.533 7.736 L84H-N 121.096 8.188 R85H-N 114.363 7.758 R85HE-NE 84.517 6.917 E86H-N 118.006 7.84 D87H-N 120.709 8.806 F88H-N 116.549 8.115 Q90H-N 121.094 9.848 Q90HE21-NE2 111.682 7.585 Q90HE22-NE2 111.682 7.104 Y91H-N 119.311 7.497 Q92H-N 121.527 8.782 Q92HE21-NE2 112.846 6.706 Q92HE22-NE2 112.846 7.667 W93H-N 123.035 7.782 W93HE1-NE1 132.328 11.125 E94H-N 124.539 9.365 L95H-N 128.15 9.84 K96H-N 122.936 8.73 N97H-N 124.506 9.125 N97HD21-ND2 111.207 6.145 N97HD22-ND2 111.207 7.827 Q98H-N 123.111 9.863 Q98HE21-NE2 113.962 6.243 Q98HE22-NE2 113.962 7.41 V99H-N 119.381 6.884 Y100H-N 113.637 7.098 M101H-N 114.595 7.089 Q103H-N 116.185 6.916 Q103HE21-NE2 110.787 7.316 Q103HE22-NE2 110.787 6.758 H104H-N 116.446 7.389 S105H-N 116.708 7.788 H107H-N 117.976 8.948 T108H-N 119.097 8.105 A109H-N 131.7 8.717 S110H-N 112.604 7.676 Y111H-N 124.264 8.889 T112H-N 109.591 9.733 S113H-N 114.15 7.185 S114H-N 118.98 9.257 R115H-N 121.729 7.991 R115HE-NE 85.408 7.192 D116H-N 120.339 7.476 A117H-N 119.179 7.049 M118H-N 115.682 8.125 S119H-N 109.986 7.79 K120H-N 121.689 7.317 Y121H-N 119.226 6.852 E123H-N 106.67 6.246 R124H-N 123.172 9.231 R124HE-NE 83.849 7.19 C125H-N 113.317 8.693 T126H-N 117.105 7.237 A127H-N 126.808 7.313 V128H-N 120.712 8.051 G129H-N 111.103 8.559 L130H-N 125.77 10.115 R131H-N 119.062 8.632 R131HE-NE 86.8 6.29 L132H-N 120.388 8.725 N133H-N 121.549 8.551 N133HD21-ND2 111.492 7.374 N133HD22-ND2 111.492 7.58 E134H-N 118.531 8.968 E135H-N 117.639 7.585 L136H-N 114.467 8.037 D137H-N 117.934 7.84 F138H-N 118.215 8.38 E139H-N 122.909 9.096 L140H-N 127.84 8.652 Y141H-N 131.05 9.719 V142H-N 117.974 8.198 Y144H-N 117.384 8.826 G145H-N 108.5 7.742 L146H-N 118.6 8.663 E147H-N 120.98 8.784 D148H-N 118.563 8.996 I149H-N 116.534 7.26 L150H-N 116.469 8.044 N151H-N 111.037 7.943 N151HD21-ND2 113.6 7.618 N151HD22-ND2 113.6 7.014 F152H-N 117.86 7.92 Q153H-N 114.927 8.695 Q153HE21-NE2 111.021 7.344 Q153HE22-NE2 111.021 6.792 V154H-N 126.006 8.999 R155H-N 127.601 9.104 R155HE-NE 85.326 8.932 T157H-N 110.738 7.851 H159H-N 113.209 8.487 F160H-N 121.221 7.696 L161H-N 116.468 7.809 E162H-N 113.016 7.195 N163H-N 117.424 7.371 N163HD21-ND2 113.144 7.985 N163HD22-ND2 113.144 6.787 E164H-N 127.459 9.328 D165H-N 120.461 7.975 R166H-N 122.25 8.415 M167H-N 119.925 8.49 E168H-N 122.487 8.199 L169H-N 122.717 7.611 Y170H-N 121.252 9.107 Q171H-N 116.433 8.338 Q171HE21-NE2 110.338 7.322 Q171HE22-NE2 110.338 6.917 T172H-N 116.414 8.479 L174H-N 119.32 7.501 S175H-N 114.26 7.63 K176H-N 119.618 7.307 K177H-N 118.371 7.605 N178H-N 116.843 8.083 N178HD21-ND2 111.154 7.544 N178HD22-ND2 111.154 6.798 W179H-N 119.065 8.144 W179HE1-NE1 129.115 10.51 Q180H-N 117.65 9.408 Q180HE21-NE2 111.975 6.845 Q180HE22-NE2 111.975 7.422 E181H-N 116.947 7.549 K182H-N 118.487 7.14 W183H-N 119.924 7.91 W183HE1-NE1 127.206 9.774 K184H-N 120.461 8.118 N185H-N 114.046 8.781 N185HD21-ND2 112.329 7.082 N185HD22-ND2 112.329 7.084 L186H-N 120.424 7.219 I187H-N 121.747 8.318 F188H-N 125.26 8.836 K189H-N 123.075 9.256 N190H-N 118.363 8.826 N190HD21-ND2 111.458 7.535 N190HD22-ND2 111.458 6.833 T191H-N 114.253 7.302