Assignment w1 w2 T5H-N 113.968 8.284 A6H-N 126.619 8.269 D7H-N 120.766 8.454 E9H-N 116.423 8.113 K10H-N 119.255 7.699 R11H-N 117.178 7.845 K12H-N 117.745 7.888 L13H-N 119.444 7.696 I14H-N 118.311 7.831 Q15H-N 116.423 8.178 Q15HE21-NE2 111.514 6.496 Q15HE22-NE2 111.514 8.076 Q16H-N 117.178 8.192 Q16HE21-NE2 110.192 7.129 Q16HE22-NE2 110.192 7.395 Q17H-N 118.311 7.97 Q17HE21-NE2 105.66 6.406 Q17HE22-NE2 105.66 6.674 L18H-N 117.934 8.408 V19H-N 116.423 8.544 L20H-N 120.955 7.82 L21H-N 121.144 8.278 L22H-N 118.5 8.331 H23H-N 117.934 8.62 A24H-N 121.71 9.049 H25H-N 115.856 7.955 K26H-N 117.178 7.053 C27H-N 123.976 8.592 Q28H-N 119.444 8.349 Q28HE21-NE2 110.381 6.722 Q28HE22-NE2 110.381 7.396 R29H-N 119.444 7.635 R30H-N 120.388 8.018 E31H-N 120.388 8.208 Q32H-N 118.878 8.165 A33H-N 123.032 8.095 N34H-N 115.479 8.186 G35H-N 108.492 8.266 E36H-N 119.822 8.132 V37H-N 121.144 8.132 R38H-N 125.109 8.455 A39H-N 126.053 8.384 C40H-N 123.787 8.48 L42H-N 129.074 8.642 H44H-N 110.569 8.014 C45H-N 124.165 7.729 R46H-N 116.612 8.239 T47H-N 114.346 7.496 M48H-N 119.444 8.216 K49H-N 122.276 9.306 N50H-N 117.178 8.069 N50HD21-ND2 111.702 6.966 N50HD22-ND2 111.702 7.776 V51H-N 123.598 8.116 L52H-N 120.955 8.735 N53H-N 116.801 8.231 N53HD21-ND2 112.08 7.118 N53HD22-ND2 112.08 7.764 H54H-N 120.011 8.049 M55H-N 119.066 9.118 T56H-N 110.758 7.521 H57H-N 115.668 7.023 C58H-N 123.598 7.134 A60H-N 124.731 8.689 G61H-N 107.926 8.166 A63H-N 119.444 7.671 C64H-N 121.899 7.497 Q65H-N 128.885 9.025 Q65HE21-NE2 112.458 6.835 Q65HE22-NE2 112.458 7.43 V66H-N 127.752 9.337 A67H-N 133.983 8.581 H68H-N 110.569 8.099 C69H-N 126.619 8.086 A70H-N 118.689 8.728 S71H-N 114.535 9.179 S72H-N 120.766 7.937 R73H-N 122.276 8.835 Q74H-N 118.689 7.873 Q74HE21-NE2 111.514 7.063 Q74HE22-NE2 111.514 7.665 I75H-N 121.71 8.754 I76H-N 120.199 8.856 S77H-N 114.346 7.981 H78H-N 118.878 8.126 W79H-N 119.255 8.417 W79HE1-NE1 129.263 10.195 K80H-N 115.101 8.412 N81H-N 113.968 7.416 N81HD21-ND2 114.346 6.928 N81HD22-ND2 114.346 7.721 C82H-N 124.354 7.617 T83H-N 118.5 8.535 D86H-N 116.612 7.962 C87H-N 122.276 6.974 V89H-N 119.822 8.46 C90H-N 118.878 8.729 L91H-N 118.878 7.907 L93H-N 115.29 7.459 K94H-N 119.255 7.975 N95H-N 117.934 8.368 N95HD21-ND2 111.702 6.886 N95HD22-ND2 111.702 7.602 A96H-N 123.221 8.04 S97H-N 113.591 8.138 D98H-N 121.521 8.214 K99H-N 121.144 8.062 R100H-N 127.375 7.926 V5H-N 122.854 8.163 E7H-N 123.231 8.306 D9H-N 118.511 8.272 L10H-N 121.343 8.463 D13H-N 114.734 8.938 L14H-N 116.056 7.674 R15H-N 116.434 7.225 L17H-N 120.399 6.982 N18H-N 121.343 8.789 N18HD21-ND2 111.335 7.25 N18HD22-ND2 111.335 7.66 T19H-N 115.301 8.585 E20H-N 125.119 8.415 M22H-N 110.769 7.303 E23H-N 118.699 7.624 I24H-N 111.524 6.626 F25H-N 118.322 7.515 R26H-N 118.888 7.368 N27H-N 117.0 8.877 N27HD21-ND2 113.035 6.982 N27HD22-ND2 113.035 7.667 S28H-N 114.356 7.969 K30H-N 127.196 8.707 I31H-N 125.497 8.604 E32H-N 118.888 9.33 E33H-N 117.566 7.742 I34H-N 117.566 7.598 M35H-N 122.665 8.177 N37H-N 117.378 8.374 G38H-N 108.881 8.314 D39H-N 121.154 8.157 L41H-N 119.644 8.44 L42H-N 120.399 7.863 A43H-N 123.42 8.022 G44H-N 107.559 8.346 Q45H-N 119.266 8.204 Q45HE21-NE2 111.902 6.843 Q45HE22-NE2 111.902 7.514 N46H-N 119.266 8.556 N46HD21-ND2 112.279 6.935 N46HD22-ND2 112.279 7.61 T47H-N 113.79 8.127 V48H-N 120.776 8.14 D49H-N 123.042 8.287 E50H-N 120.776 8.242 V51H-N 120.021 8.044 Y52H-N 122.854 8.148 V53H-N 121.721 7.868 S54H-N 119.077 8.237 R55H-N 123.798 8.284 S57H-N 121.343 7.967