Assignment w1 w2 S8H-N 115.732 8.211 L9H-N 123.943 8.316 S10H-N 116.718 8.304 T11H-N 114.902 8.003 V12H-N 122.111 8.095 E13H-N 120.316 8.151 L14H-N 117.035 7.067 S15H-N 114.216 7.645 G16H-N 111.838 8.506 T17H-N 116.679 8.482 V18H-N 127.156 8.948 V19H-N 125.162 9.359 K20H-N 121.024 7.584 Q21H-N 122.108 8.625 Q21HE21-NE2 111.803 7.503 Q21HE22-NE2 111.803 6.773 G22H-N 108.508 8.964 Y23H-N 120.809 9.145 L24H-N 122.887 8.935 A25H-N 122.28 8.145 K26H-N 120.638 9.167 Q27H-N 130.194 7.866 Q27HE21-NE2 109.913 6.409 Q27HE22-NE2 109.913 6.769 G28H-N 115.528 8.565 N33H-N 116.99 7.925 N33HD21-ND2 113.056 7.625 N33HD22-ND2 113.056 6.961 W34H-N 121.917 8.798 W34HE1-NE1 130.722 10.084 K35H-N 120.864 8.404 V36H-N 124.314 8.977 R37H-N 128.121 9.498 R38H-N 121.442 8.755 F39H-N 130.027 9.865 V40H-N 119.369 9.3 L41H-N 132.121 9.557 R42H-N 128.12 9.396 R42HE-NE 86.822 7.075 K43H-N 114.484 8.597 D44H-N 115.453 8.388 A46H-N 120.155 8.112 F47H-N 129.946 8.717 L48H-N 121.108 7.883 H49H-N 121.199 8.606 Y50H-N 114.156 7.777 Y51H-N 119.1 9.323 D52H-N 124.636 9.375 S54H-N 113.769 8.685 K55H-N 122.222 7.706 E56H-N 122.015 8.666 E57H-N 119.884 8.303 R59H-N 121.06 7.805 V61H-N 119.185 8.627 G62H-N 105.813 6.715 G63H-N 105.089 8.004 F64H-N 113.387 7.967 S65H-N 114.674 8.518 L66H-N 123.988 7.404 R67H-N 122.494 7.865 G68H-N 117.548 9.398 S69H-N 115.188 7.829 L70H-N 121.265 8.805 V71H-N 122.315 8.644 S72H-N 118.611 8.75 A73H-N 125.694 9.009 L74H-N 122.271 7.8 E75H-N 122.678 8.855 D76H-N 121.488 8.542 N77H-N 118.676 8.322 N77HD21-ND2 112.381 6.897 N77HD22-ND2 112.381 7.599 G78H-N 108.939 8.311 V79H-N 121.135 7.882 T81H-N 114.684 8.281 G82H-N 111.289 8.338 V83H-N 120.003 7.668 K84H-N 126.447 8.645 G85H-N 109.957 8.41 N86H-N 118.457 8.298 N86HD21-ND2 111.848 7.337 N86HD22-ND2 111.848 6.904 V87H-N 120.557 7.66 Q88H-N 122.28 8.115 Q88HE21-NE2 111.661 7.351 Q88HE22-NE2 111.661 6.622 G89H-N 110.135 8.544 N90H-N 114.322 8.451 N90HD21-ND2 112.635 7.184 N90HD22-ND2 112.635 6.604 L91H-N 120.057 8.933 F92H-N 119.74 9.901 K93H-N 117.71 9.154 V94H-N 121.741 8.507 I95H-N 126.794 8.959 T96H-N 117.225 8.765 K97H-N 120.457 8.736 D98H-N 116.281 7.762 D99H-N 116.687 8.34 T100H-N 116.525 7.511 H101H-N 125.953 8.753 Y102H-N 121.975 9.023 Y103H-N 122.012 8.899 I104H-N 123.443 8.605 Q105H-N 125.079 9.369 Q105HE21-NE2 111.67 6.226 Q105HE22-NE2 111.67 7.205 A106H-N 129.303 8.513 S107H-N 112.962 9.468 S108H-N 112.243 7.555 K109H-N 123.17 8.978 A110H-N 123.75 8.608 E111H-N 119.757 8.185 R112H-N 118.43 8.008 A113H-N 119.98 7.985 E114H-N 117.168 8.093 W115H-N 120.974 7.98 W115HE1-NE1 130.381 10.955 I116H-N 118.408 8.297 E117H-N 117.096 8.026 A118H-N 119.817 7.555 I119H-N 116.28 8.167 K120H-N 119.65 8.79 K121H-N 117.197 7.594 L122H-N 116.861 7.586 T123H-N 108.963 7.636 S124H-N 116.876 7.912 G125H-N 110.006 8.307 S127H-N 116.39 8.607 S128H-N 117.506 8.272 G129H-N 116.749 8.048