Assignment w1 w2 N3H-N 119.721 8.66 E4H-N 118.392 7.733 V5H-N 116.434 8.29 T6H-N 115.483 8.261 L7H-N 128.729 9.424 L8H-N 119.682 7.752 D9H-N 126.188 8.987 S10H-N 123.939 9.537 R11H-N 120.528 8.38 S12H-N 113.016 7.761 V13H-N 122.331 7.059 Q14H-N 126.305 8.635 G15H-N 111.338 7.976 E16H-N 119.138 8.07 L17H-N 126.953 10.118 G18H-N 105.902 8.67 W19H-N 121.382 7.338 A21H-N 123.966 8.108 S22H-N 114.998 8.714 L24H-N 123.406 8.731 E25H-N 115.784 7.688 G26H-N 110.253 8.812 G27H-N 111.606 8.554 W28H-N 126.538 8.328 E29H-N 123.533 9.332 E30H-N 126.668 8.826 V31H-N 127.246 8.621 S32H-N 124.926 8.822 I33H-N 121.815 8.682 M34H-N 119.743 8.143 D35H-N 122.965 8.522 E36H-N 117.961 9.319 K37H-N 120.732 8.234 N38H-N 125.768 8.769 N38HD21-ND2 115.166 7.199 N38HD22-ND2 115.166 7.98 T39H-N 124.421 8.751 I41H-N 122.933 9.113 R42H-N 124.197 8.848 T43H-N 113.808 7.808 Y44H-N 117.488 7.973 Q45H-N 119.923 9.463 Q45HE21-NE2 109.489 6.593 Q45HE22-NE2 109.489 7.28 V46H-N 121.557 8.323 C47H-N 127.859 8.546 N48H-N 129.228 9.757 V49H-N 107.231 6.502 S53H-N 111.697 8.4 Q54H-N 119.624 8.444 N55H-N 122.386 8.77 N56H-N 119.818 9.13 W57H-N 126.94 8.693 L58H-N 126.654 8.655 R59H-N 126.684 8.522 T60H-N 112.433 8.506 T64H-N 119.208 7.569 R65H-N 122.743 7.811 E66H-N 120.536 7.312 G67H-N 106.5 7.9 A68H-N 125.577 7.835 Q69H-N 120.6 8.47 R70H-N 117.323 7.304 V71H-N 117.274 7.935 Y72H-N 119.812 8.814 I73H-N 120.708 9.007 E74H-N 127.905 9.873 I75H-N 129.258 9.695 K76H-N 125.168 9.078 F77H-N 120.121 8.997 T78H-N 114.1 9.458 L79H-N 124.87 8.828 R80H-N 124.757 8.028 D81H-N 122.911 8.332 C82H-N 125.812 9.569 N83H-N 116.78 8.634 S84H-N 114.329 7.857 L85H-N 126.029 7.36 G87H-N 109.455 8.429 V88H-N 116.688 7.437 M89H-N 124.081 8.369 G90H-N 109.8 8.478 T91H-N 110.728 7.568 C92H-N 122.443 7.85 K93H-N 129.075 8.462 E94H-N 117.696 8.59 T95H-N 107.028 6.935 F96H-N 113.242 8.193 N97H-N 116.045 8.759 N97HD21-ND2 114.266 7.39 N97HD22-ND2 114.266 6.987 L98H-N 123.566 7.955 Y99H-N 125.19 9.266 Y100H-N 116.402 9.644 Y101H-N 120.127 8.664 E102H-N 127.297 9.055 S103H-N 114.886 8.49 D104H-N 116.665 7.349 N105H-N 121.287 8.606 F110H-N 120.485 8.53 I111H-N 124.48 8.118 R112H-N 120.769 7.863 E113H-N 120.293 7.309 N114H-N 124.902 8.58 V117H-N 124.598 9.333 K118H-N 129.781 9.025 I119H-N 128.38 9.4 D120H-N 110.407 7.174 T121H-N 120.0 8.54 I122H-N 128.922 8.959 A123H-N 127.906 8.018 A124H-N 121.806 8.772 D125H-N 123.276 8.471 E126H-N 120.48 8.525 S127H-N 117.055 8.307 F128H-N 120.894 7.751 T129H-N 114.99 8.341 Q130H-N 123.619 8.539 V131H-N 127.246 8.621 D132H-N 124.586 8.365 I133H-N 122.725 8.275 G134H-N 114.454 8.671 D135H-N 120.618 8.245 K139H-N 120.536 7.312 L140H-N 123.39 8.329 N141H-N 127.17 8.69 N141HD21-ND2 112.95 6.242 N141HD22-ND2 112.95 6.972 T142H-N 117.346 8.562 E143H-N 125.142 9.15 I144H-N 121.708 8.75 R145H-N 126.578 8.892 D146H-N 118.195 8.161 V147H-N 115.453 8.152 G148H-N 109.475 7.538 L150H-N 122.953 8.58 S151H-N 115.393 8.063 K152H-N 123.025 8.154 K153H-N 129.357 7.863 G154H-N 118.864 7.391 F155H-N 116.585 8.047 Y156H-N 120.127 8.664 L157H-N 121.465 7.84 A158H-N 120.793 8.377 F159H-N 118.836 8.96 Q160H-N 123.476 9.133 D161H-N 128.668 9.568 G163H-N 112.88 8.421 A164H-N 127.765 9.998 C165H-N 121.84 9.124 I166H-N 125.186 8.83 A167H-N 126.417 8.381 L168H-N 125.23 9.636 V169H-N 126.304 8.635 S170H-N 108.927 7.928 V171H-N 123.595 8.768 R172H-N 128.403 9.222 V173H-N 126.808 9.646 F174H-N 126.086 9.537 Y175H-N 123.476 9.133 K176H-N 120.474 9.132 K177H-N 124.59 8.473 A178H-N 127.492 8.455 L180H-N 122.143 8.272 T181H-N 115.997 8.074 V182H-N 123.639 8.133 R183H-N 129.78 7.884