Assignment w1 w2 I3H-N 121.342 8.062 G4H-N 110.923 8.138 R5H-N 119.793 8.012 L6H-N 124.773 8.244 R7H-N 119.35 8.114 D8H-N 120.244 9.088 R9H-N 117.273 8.136 I10H-N 114.175 8.509 T11H-N 118.184 9.226 I12H-N 127.139 8.747 Q13H-N 125.658 9.205 Q13HE21-NE2 111.133 7.723 Q13HE22-NE2 111.133 6.555 T14H-N 115.656 8.772 L15H-N 128.484 8.19 K16H-N 129.216 8.923 Q17H-N 123.292 8.432 Q17HE21-NE2 113.251 7.788 Q17HE22-NE2 113.251 6.728 T18H-N 118.567 8.664 R19H-N 123.411 8.451 D20H-N 125.454 8.792 I21H-N 119.214 8.365 T22H-N 110.974 7.762 G23H-N 109.969 8.094 E24H-N 121.717 7.62 I25H-N 122.781 8.435 L26H-N 130.306 8.865 E27H-N 123.564 8.508 T28H-N 117.529 8.381 W29H-N 124.126 8.448 W29HE1-NE1 129.409 9.974 E30H-N 124.296 9.045 D31H-N 125.658 8.826 G32H-N 114.481 8.718 H33H-N 123.019 7.937 T34H-N 118.499 8.459 L35H-N 126.186 8.992 W36H-N 121.104 8.116 W36HE1-NE1 128.921 10.042 A37H-N 122.951 9.268 S38H-N 115.009 8.693 V39H-N 128.433 9.113 N40H-N 124.619 8.491 N40HD21-ND2 115.013 7.174 N40HD22-ND2 115.013 6.976 M41H-N 122.934 8.973 V42H-N 125.386 8.411 S43H-N 122.44 8.701 K45H-N 121.419 8.234 E46H-N 120.44 7.96 A47H-N 123.99 8.129 I48H-N 118.244 8.04 S49H-N 117.937 8.156 S50H-N 116.882 8.117 G51H-N 111.263 8.278 A52H-N 123.326 8.007 E53H-N 119.452 8.275 L54H-N 122.244 8.041 A55H-N 124.245 8.034 I56H-N 121.606 8.255 G57H-N 114.294 8.661 T58H-N 116.303 7.909 R60H-N 127.565 8.935 I61H-N 129.608 9.366 W62H-N 125.283 8.676 W62HE1-NE1 129.221 10.435 I63H-N 112.046 8.305 R64H-N 120.755 8.835 Y65H-N 121.053 7.321 R66H-N 121.819 5.824 D68H-N 117.937 8.192 I69H-N 119.946 7.62 N70H-N 126.271 8.602 N70HD21-ND2 114.613 7.625 N70HD22-ND2 114.613 6.959 A71H-N 122.951 8.776 T72H-N 106.207 8.007 S73H-N 118.499 7.736 R74H-N 119.205 8.727 R74HE-NE 84.52 6.224 I75H-N 119.367 8.572 K76H-N 128.127 9.032 V77H-N 128.654 8.506 S78H-N 121.538 8.776 T79H-N 109.918 7.304 G80H-N 105.628 8.484 L82H-N 117.826 8.914 A83H-N 120.814 7.401 G84H-N 110.821 8.826 R85H-N 119.861 7.995 V86H-N 120.295 8.272 L87H-N 126.016 9.4 N88H-N 119.537 8.543 N88HD21-ND2 111.613 7.306 N88HD22-ND2 111.613 6.759 I89H-N 123.666 8.695 I90H-N 127.19 8.89 G91H-N 113.698 8.225 Q92H-N 120.287 8.153 Q92HE21-NE2 112.813 7.551 Q92HE22-NE2 112.813 6.909 L94H-N 125.539 8.666 D96H-N 117.741 8.817 A97H-N 125.062 8.706 A98H-N 115.52 7.553 R99H-N 116.609 7.729 T100H-N 110.429 10.295 R101H-N 126.322 8.918 L102H-N 118.916 8.739 E103H-N 125.13 8.422 I104H-N 128.484 9.452 L105H-N 129.982 9.255 C106H-N 117.622 9.025 R107H-N 116.933 8.678 E108H-N 124.705 9.106 G109H-N 112.489 8.671 A110H-N 123.53 8.133 E111H-N 120.687 8.406 K112H-N 126.952 7.87