Assignment w1 w2 A5H-N 125.355 8.452 T6H-N 112.71 8.164 T7H-N 114.686 8.038 K8H-N 120.055 8.296 R9H-N 115.452 7.98 V10H-N 117.93 7.679 L11H-N 127.508 9.636 Y12H-N 123.802 9.161 V13H-N 127.303 8.038 G14H-N 112.296 9.177 G15H-N 107.632 8.081 L16H-N 116.405 7.921 A17H-N 126.62 8.516 E18H-N 122.699 9.042 E19H-N 114.322 8.973 V20H-N 119.212 7.499 D21H-N 125.176 6.75 D22H-N 115.981 8.774 K23H-N 121.382 7.641 V24H-N 122.261 8.284 L25H-N 118.592 8.031 H26H-N 119.088 8.602 A27H-N 117.935 7.824 A28H-N 117.305 7.887 F29H-N 112.22 7.827 I30H-N 123.376 8.616 F32H-N 112.134 7.564 G33H-N 106.037 7.593 D34H-N 114.401 7.994 I35H-N 124.534 7.478 T36H-N 121.563 9.014 D37H-N 119.8 7.565 I38H-N 122.76 7.938 Q39H-N 125.816 8.966 Q39HE21-NE2 112.874 8.062 Q39HE22-NE2 112.874 6.635 I40H-N 124.065 8.739 L42H-N 121.509 8.284 D43H-N 122.366 8.543 E45H-N 117.238 8.507 T46H-N 107.385 7.864 E47H-N 116.137 8.298 K48H-N 117.598 7.655 H49H-N 117.992 8.135 R50H-N 119.143 8.823 G51H-N 112.706 10.777 F52H-N 114.694 6.957 A53H-N 119.677 8.606 F54H-N 114.371 8.615 V55H-N 122.657 8.657 E56H-N 129.337 8.992 F57H-N 126.482 8.692 E58H-N 121.298 8.133 L59H-N 116.304 9.324 A60H-N 127.174 9.023 E61H-N 118.598 9.968 D62H-N 124.017 6.817 A63H-N 121.739 6.981 A64H-N 117.698 7.789 A65H-N 121.3 7.327 A66H-N 122.124 7.85 I67H-N 118.724 7.852 D68H-N 116.652 7.439 N69H-N 112.748 7.433 N69HD21-ND2 115.401 7.708 N69HD22-ND2 115.401 7.279 M70H-N 113.662 8.259 N71H-N 119.542 8.179 N71HD21-ND2 116.174 7.964 N71HD22-ND2 116.174 7.132 E72H-N 121.521 8.637 S73H-N 115.034 7.674 E74H-N 117.93 8.288 L75H-N 126.79 9.027 F76H-N 128.734 9.787 G77H-N 102.169 8.684 R78H-N 119.176 7.577 T79H-N 119.102 8.415 I80H-N 121.65 8.794 R81H-N 121.96 8.217 V82H-N 123.042 8.955 N83H-N 121.386 9.006 N83HD21-ND2 111.412 7.323 N83HD22-ND2 111.412 6.796 L84H-N 121.221 8.81 A85H-N 126.294 8.792 M88H-N 120.937 8.226 R89H-N 120.31 8.21 I90H-N 122.294 8.128 K91H-N 125.78 8.373 E92H-N 123.222 8.481 G93H-N 110.626 8.493 S94H-N 115.486 8.147 R96H-N 123.182 8.134 V98H-N 119.48 8.027 W99H-N 122.572 7.819 W99HE1-NE1 129.629 10.09 S100H-N 116.805 8.04 D101H-N 122.8 8.267 D102H-N 120.088 8.267 D103H-N 122.552 8.376 W104H-N 121.032 8.017 W104HE1-NE1 129.639 10.073 L105H-N 119.708 7.787 K106H-N 119.127 7.769 K107H-N 119.299 7.709 F108H-N 118.842 7.931 S109H-N 116.188 7.977 G110H-N 110.337 8.049 K111H-N 120.705 8.046 T112H-N 115.605 8.173 L113H-N 124.358 8.246 E114H-N 121.58 8.315 E115H-N 121.414 8.319 N116H-N 120.219 8.413 N116HD21-ND2 112.873 7.548 N116HD22-ND2 112.873 6.881 K117H-N 126.734 7.811