Assignment w1 w2 H3H-N 119.738 8.644 M4H-N 122.101 8.453 D5H-N 121.392 8.572 R6H-N 120.026 7.993 V7H-N 124.623 8.799 S8H-N 122.645 8.945 L9H-N 124.338 8.733 Q10H-N 117.126 8.393 Q10HE21-NE2 113.052 6.957 Q10HE22-NE2 113.052 7.55 N11H-N 116.765 7.611 N11HD21-ND2 112.747 7.086 N11HD22-ND2 112.747 7.676 L12H-N 120.387 7.904 K13H-N 115.877 7.967 N14H-N 116.913 7.474 N14HD21-ND2 112.593 6.977 N14HD22-ND2 112.593 7.802 L15H-N 122.274 8.3 G16H-N 100.603 7.169 E17H-N 116.393 6.841 S18H-N 112.266 6.728 A19H-N 135.621 9.238 T20H-N 115.747 8.121 L21H-N 123.736 8.185 R22H-N 116.901 8.004 R22HE-NE 83.793 7.379 S23H-N 111.238 7.595 L24H-N 122.029 7.886 L25H-N 114.782 7.982 L26H-N 116.907 7.248 N27H-N 119.76 7.595 N27HD21-ND2 115.947 7.41 N27HD22-ND2 115.947 8.016 H29H-N 118.546 8.243 L30H-N 118.924 7.445 R31H-N 114.989 7.295 R31HE-NE 82.19 7.444 Q32H-N 117.2 7.607 Q32HE21-NE2 114.088 7.004 Q32HE22-NE2 114.088 7.428 L33H-N 118.432 7.665 M34H-N 117.214 8.177 V35H-N 119.717 8.314 N36H-N 118.538 8.411 N36HD21-ND2 108.734 7.024 N36HD22-ND2 108.734 7.083 L37H-N 120.479 8.199 D38H-N 118.454 8.327 Q39H-N 111.892 7.989 Q39HE21-NE2 112.221 6.801 Q39HE22-NE2 112.221 7.642 G40H-N 108.755 7.718 E41H-N 122.093 8.626 D42H-N 119.725 8.462 K43H-N 121.263 8.275 A44H-N 120.398 8.319 K45H-N 119.714 7.607 L46H-N 119.459 7.531 M47H-N 116.604 8.304 R48H-N 116.675 7.549 A49H-N 121.512 7.429 Y50H-N 120.862 8.927 M51H-N 116.94 7.993 Q52H-N 114.682 7.507 Q52HE21-NE2 112.452 6.881 Q52HE22-NE2 112.452 7.548 E53H-N 122.409 7.985 L55H-N 116.426 9.016 F56H-N 119.452 7.772 V57H-N 120.768 8.222 E58H-N 118.427 7.931 F59H-N 120.772 7.405 A60H-N 126.246 9.041 D61H-N 117.186 8.549 C62H-N 120.722 7.751 C63H-N 116.208 8.101 L64H-N 119.301 8.366 G65H-N 103.551 7.639 I66H-N 118.997 7.358 V67H-N 110.817 7.995 E68H-N 121.657 7.995 S70H-N 116.021 8.462 Q71H-N 122.22 8.48 Q71HE21-NE2 112.638 6.855 Q71HE22-NE2 112.638 7.569 N72H-N 119.885 8.48 N72HD21-ND2 113.275 6.951 N72HD22-ND2 113.275 7.623 E73H-N 121.512 8.475 E74H-N 122.278 8.457 S75H-N 122.682 8.014 I2H-N 124.477 8.582 R3H-N 121.849 8.284 H4H-N 118.111 8.073 E5H-N 118.542 8.387 R6H-N 118.212 8.253 N7H-N 117.062 8.1 N7HD21-ND2 113.404 7.028 N7HD22-ND2 113.404 7.915 V8H-N 121.645 8.227 I9H-N 121.209 8.566 L10H-N 119.732 8.672 Q11H-N 118.64 7.898 Q11HE21-NE2 111.996 7.121 Q11HE22-NE2 111.996 7.434 C12H-N 119.363 8.326 V13H-N 119.149 8.932 R14H-N 118.034 8.009 R14HE-NE 86.706 9.121 Y15H-N 118.488 7.791 I16H-N 117.087 8.174 I17H-N 119.877 7.866 K18H-N 124.337 8.412 K19H-N 116.358 7.189 D20H-N 122.754 8.391 F21H-N 110.546 8.289 F22H-N 109.338 7.319 G23H-N 105.733 7.819 L24H-N 119.851 7.589 D25H-N 120.178 8.378 T26H-N 113.746 8.032 N27H-N 120.42 8.509 N27HD21-ND2 113.454 6.965 N27HD22-ND2 113.454 7.729 S28H-N 116.805 8.322 A29H-N 125.465 8.35 K30H-N 120.176 8.143 S31H-N 117.229 8.305 K32H-N 122.997 8.362 D33H-N 122.108 8.374 V34H-N 123.363 7.626