Assignment w1 w2 V6H-N 120.898 7.881 F7H-N 120.132 8.048 G8H-N 111.565 8.902 A9H-N 125.698 8.664 G10H-N 107.543 9.55 C11H-N 119.906 7.291 T12H-N 113.625 7.204 D13H-N 118.809 8.796 V14H-N 117.761 7.143 C15H-N 125.682 7.469 K16H-N 111.748 6.811 Q17H-N 119.614 7.125 Q17HE21-NE2 110.339 6.884 Q17HE22-NE2 110.339 7.511 T18H-N 112.899 8.24 C20H-N 120.44 8.231 G21H-N 116.604 8.408 C22H-N 127.079 9.511 A23H-N 119.963 8.108 T24H-N 108.951 7.525 S25H-N 113.933 7.831 G26H-N 113.272 8.02 C27H-N 123.822 8.443 N28H-N 129.924 9.341 N28HD21-ND2 113.532 7.006 N28HD22-ND2 113.532 7.63 C29H-N 121.831 8.824 T30H-N 112.478 8.637 D31H-N 117.271 8.465 D32H-N 116.981 7.695 C33H-N 122.332 7.132 K34H-N 128.86 8.165 C35H-N 129.232 9.393 Q36H-N 128.051 9.126 Q36HE21-NE2 112.392 6.934 Q36HE22-NE2 112.392 7.57 S37H-N 115.991 9.221 C38H-N 115.3 7.671 K39H-N 122.511 7.783 Y40H-N 114.285 7.341 G41H-N 108.796 8.688 A42H-N 126.503 8.477 G43H-N 106.18 9.424 C44H-N 119.757 7.324 T45H-N 113.203 7.211 D46H-N 119.529 8.902 T47H-N 113.956 7.534 C48H-N 126.311 7.323 K49H-N 113.213 6.787 Q50H-N 119.046 7.105 Q50HE21-NE2 110.871 6.906 Q50HE22-NE2 110.871 7.499 T51H-N 113.422 8.245 C53H-N 120.227 8.327 G54H-N 116.297 8.171 C55H-N 124.255 9.138 G56H-N 107.386 8.666 G58H-N 111.771 8.295 C59H-N 121.886 7.794 N60H-N 130.258 9.417 N60HD21-ND2 112.289 6.881 N60HD22-ND2 112.289 7.511 C61H-N 122.129 9.327 K62H-N 120.226 8.465 E63H-N 116.574 8.506 D64H-N 113.22 7.526 C65H-N 123.425 7.411 R66H-N 127.025 8.122 C67H-N 129.079 9.685 Q68H-N 129.503 9.572 Q68HE21-NE2 113.673 6.64 Q68HE22-NE2 113.673 6.901 S69H-N 117.183 9.303 C70H-N 112.923 7.454 S71H-N 118.0 7.227 T72H-N 117.16 8.718 A73H-N 126.13 8.122 C74H-N 123.288 8.486 K75H-N 128.039 9.656 C76H-N 126.699 9.312 A77H-N 119.945 7.378 A78H-N 120.861 8.403 G79H-N 109.144 8.594 S80H-N 115.773 8.294 C81H-N 126.988 8.688 K82H-N 135.355 10.57 C83H-N 119.785 8.702 G84H-N 116.745 8.622 K85H-N 120.014 8.194 G86H-N 113.863 9.572 C87H-N 118.049 7.619 T88H-N 112.873 8.489 G89H-N 110.237 6.944 D91H-N 113.047 8.445 S92H-N 110.649 7.999 C93H-N 125.597 7.211 K94H-N 130.061 9.659 C95H-N 125.223 9.408 D96H-N 119.227 8.289 R97H-N 111.868 7.345 S98H-N 114.399 8.656 C99H-N 124.371 7.227 S100H-N 124.08 8.461 C101H-N 118.311 7.482 K102H-N 125.761 7.103