Assignment w1 w2 K3H-N 122.29 8.484 V4H-N 117.271 8.325 L5H-N 125.917 8.387 L6H-N 126.006 9.192 L7H-N 127.164 8.116 K8H-N 121.61 7.194 D9H-N 119.797 8.099 A10H-N 119.368 7.943 K11H-N 122.29 8.812 E12H-N 125.235 9.0 D13H-N 120.706 8.4 D14H-N 120.7 8.39 C15H-N 118.0 8.61 G16H-N 109.1 8.37 Q17H-N 118.489 7.936 D18H-N 126.711 8.828 Y20H-N 119.073 9.176 I21H-N 119.683 7.846 R22H-N 119.343 8.059 E23H-N 118.323 7.865 L24H-N 116.395 7.752 G25H-N 105.988 7.969 L26H-N 122.29 7.554 Y27H-N 116.17 7.412 G28H-N 106.996 7.838 L29H-N 119.57 7.458 E30H-N 124.784 8.547 A31H-N 130.758 8.57 T32H-N 117.643 8.118 L33H-N 129.687 9.029 I34H-N 126.597 8.391 V36H-N 109.596 8.053 L37H-N 121.044 8.165 S38H-N 114.697 8.684 F39H-N 119.254 8.296 E40H-N 121.157 8.681 F41H-N 120.704 8.63 L42H-N 121.61 8.439 S43H-N 106.423 8.38 L44H-N 116.861 8.59 S46H-N 113.7 7.67 F47H-N 121.61 8.692 S48H-N 114.583 8.565 E49H-N 123.596 7.682 K50H-N 122.06 8.178 L51H-N 115.603 8.475 S52H-N 110.843 7.554 H53H-N 119.23 8.122 E55H-N 116.094 9.527 D56H-N 120.165 7.712 Y57H-N 114.923 7.545 G58H-N 105.494 8.863 G59H-N 105.516 7.716 L60H-N 122.35 8.667 I61H-N 119.845 8.195 F62H-N 120.023 8.985 T63H-N 110.73 10.098 S64H-N 114.866 7.449 R66H-N 115.377 7.733 A67H-N 118.323 7.071 V68H-N 116.877 6.982 E69H-N 120.783 8.113 A70H-N 119.472 7.917 A71H-N 121.181 7.563 E72H-N 117.417 7.889 L73H-N 118.594 8.19 C74H-N 117.464 8.741 L75H-N 124.897 7.322 E76H-N 120.023 7.399 Q77H-N 116.397 8.805 Q77HE21-NE2 108.689 7.45 Q77HE22-NE2 108.689 6.591 N78H-N 112.49 7.091 N79H-N 114.756 7.842 K80H-N 114.243 8.881 T81H-N 116.85 7.984 E82H-N 121.384 8.512 V83H-N 118.555 7.869 W84H-N 125.124 8.922 W84HE1-NE1 129.356 10.376 E85H-N 115.943 8.044 R86H-N 115.209 8.504 S87H-N 111.183 8.118 L88H-N 118.775 8.291 K89H-N 121.27 8.689 E90H-N 116.657 7.951 K91H-N 118.323 7.142 W92H-N 119.91 8.195 W92HE1-NE1 127.997 11.444 N93H-N 115.717 8.47 N93HD21-ND2 111.125 7.378 N93HD22-ND2 111.125 7.185 A94H-N 118.934 7.053 K95H-N 120.817 7.718 S96H-N 114.583 7.533 V97H-N 125.852 8.247 Y98H-N 126.942 9.07 V99H-N 118.437 8.837 V100H-N 122.29 7.918 G101H-N 114.257 8.265 T104H-N 115.15 7.56 A105H-N 121.957 8.088 S106H-N 112.93 7.902 L107H-N 121.328 7.407 V108H-N 120.763 8.116 S109H-N 113.343 7.83 K110H-N 123.003 7.68 I111H-N 111.321 7.362 G112H-N 106.989 7.681 L113H-N 118.742 7.283 D114H-N 122.393 8.787 T115H-N 113.223 8.095 E116H-N 123.084 8.74 G117H-N 109.151 8.287 E118H-N 119.343 8.246 T119H-N 117.87 8.621 C120H-N 119.988 8.289 N122H-N 112.325 7.43 E124H-N 119.91 8.953 K125H-N 119.359 8.434 L126H-N 121.497 8.027 A127H-N 120.869 8.431 E128H-N 121.95 7.379 Y129H-N 121.863 8.1 I130H-N 120.363 8.942 C131H-N 115.037 8.004 S132H-N 113.59 7.581 R133H-N 120.569 7.366 E134H-N 120.477 8.331 S135H-N 119.124 8.582 S136H-N 118.805 8.913 A137H-N 125.6 8.528 L138H-N 119.683 8.029 L140H-N 123.31 8.2 L141H-N 126.259 8.817 F142H-N 126.484 9.029 C144H-N 122.177 8.912 G145H-N 106.962 7.663 L147H-N 128.411 8.736 K148H-N 117.417 8.349 R149H-N 115.603 7.741 E150H-N 118.663 7.432 L152H-N 122.857 8.588 K154H-N 117.648 7.781 A155H-N 120.25 7.561 L156H-N 115.037 8.106 K157H-N 122.177 8.073 D158H-N 119.875 8.478 K159H-N 116.623 7.195 G160H-N 108.386 7.99 I161H-N 122.243 7.847 A162H-N 130.791 8.578 M163H-N 120.704 8.374 E164H-N 126.618 9.376 S165H-N 122.65 8.681 I166H-N 121.96 8.209 T167H-N 127.753 8.514 V168H-N 118.663 8.926 Y169H-N 115.83 7.426 Q170H-N 113.563 8.745 Q170HE21-NE2 111.347 7.635 Q170HE22-NE2 111.347 6.69 T171H-N 118.323 8.545 V172H-N 119.23 8.343 A173H-N 122.064 7.7 H174H-N 124.217 7.982 G176H-N 110.956 10.365 I177H-N 120.005 7.229 Q178H-N 119.556 8.633 G179H-N 107.103 8.617 N180H-N 120.668 8.898 L181H-N 122.295 8.802 N182H-N 118.911 8.744 S183H-N 115.585 8.422 Y184H-N 122.195 8.097 Y185H-N 119.457 9.126 S186H-N 112.77 8.179 Q187H-N 117.643 7.877 Q188H-N 115.717 8.599 G189H-N 108.36 7.3 V190H-N 117.64 7.85 A192H-N 119.899 8.421 S193H-N 106.649 7.287 I194H-N 127.051 7.072 T195H-N 120.93 8.478 F196H-N 122.517 8.271 F197H-N 121.067 9.364 S198H-N 113.765 7.882 G201H-N 109.03 8.22 L202H-N 121.724 7.263 T203H-N 116.737 7.999 Y204H-N 116.631 8.023 S205H-N 110.276 7.79 L206H-N 125.237 8.574 K207H-N 117.417 8.885 H208H-N 116.742 6.903 I209H-N 118.928 7.989 Q210H-N 122.63 9.246 Q210HE21-NE2 110.461 7.254 Q210HE22-NE2 110.461 6.802 E211H-N 120.715 8.123 L212H-N 117.19 8.103 S213H-N 111.069 7.929 G214H-N 107.457 7.627 N216H-N 114.923 8.272 I217H-N 120.817 7.528 D218H-N 118.676 7.716 Q219H-N 116.51 7.848 I220H-N 121.837 7.298 K221H-N 123.877 7.963 F222H-N 128.297 9.573 A223H-N 126.144 9.36 A224H-N 120.817 8.467 I225H-N 118.893 7.244 G226H-N 104.043 6.871 A230H-N 124.897 8.112 R231H-N 117.14 8.176 A232H-N 122.644 7.283 L233H-N 119.91 7.754 A234H-N 120.943 7.914 A235H-N 121.279 8.043 Q236H-N 114.314 7.285 G237H-N 106.536 7.849 L238H-N 122.099 7.38 V240H-N 125.138 8.592 S241H-N 124.104 8.999 C242H-N 116.283 7.298 T243H-N 124.3 8.54 A244H-N 129.969 8.092 E245H-N 123.219 9.002 S246H-N 110.956 7.493 T248H-N 112.782 8.531 Q250H-N 115.573 8.427 A251H-N 121.95 7.822 L252H-N 120.509 8.491 A253H-N 119.795 8.338 T254H-N 111.07 7.837 G255H-N 108.852 7.747 I256H-N 123.574 8.799 R257H-N 118.89 8.263 K258H-N 116.963 7.526 A259H-N 120.171 7.708 L260H-N 114.771 7.849 Q261H-N 119.955 7.782 C266H-N 125.254 8.084